A0A077ZL47_TRITR Loading...

Flavodoxin

AlphaFold DB , UniProt , Accession A0A077ZL47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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	36.5	Very low	36.3	Very low	227 Å²	227	163 Å²	163	100%	1.118	86%	0.859	S	S	*	*				0	116.7	0	-80.2	-179.9	-106.4	0	0	107.3
2	Y	35.2	Very low	36	Very low	248 Å²	248	156.7 Å²	156.7	97%	0.973	85%	0.848	S	S	*	*			trans	18	96.7	175.8	-70.8	-86.7	0	0	0	118.9
3	Y	33.1	Very low	35.6	Very low	234 Å²	234	162.1 Å²	162.1	92%	0.918	85%	0.849	S	S	*	*			trans	-105	134	154.2	-82.1	-89.6	0	0	0	108.1
4	G	36.6	Very low	35.2	Very low	72 Å²	72	160.8 Å²	160.8	74%	0.742	84%	0.842	S	S	*	*			trans	154.9	66.1	169.8	0	0	0	0	0	115	L6	G4-L6 PolarHBondContact O-N 3.36Å
5	A	40.4	Very low	35.2	Very low	111 Å²	111	161.3 Å²	161.3	92%	0.917	84%	0.843	S	S	*	*			trans	-82.4	97.5	164.8	0	0	0	0	0	108.7
6	L	37.2	Very low	35.3	Very low	167 Å²	167	159.4 Å²	159.4	87%	0.874	84%	0.84	S	S	*	*			trans	-92.5	107.5	177	-94.6	153	0	0	0	110.5	G4	G4-L6 PolarHBondContact O-N 3.36Å
7	S	36.1	Very low	35.4	Very low	105 Å²	105	156.1 Å²	156.1	73%	0.734	83%	0.833	S	S	*	*			trans	18.6	112.8	142.6	-162.6	0	0	0	0	118.6	R9	S7-R9 PolarHBondContact O-N 3.45Å
8	I	36.4	Very low	35.7	Very low	166 Å²	166	153.4 Å²	153.4	85%	0.851	83%	0.826	S	S	*	*			trans	-75	112.6	170.1	-61.9	169.3	0	0	0	108.7	A10	I8-A10 PolarHBondContact O-N 3.43Å
9	R	34.7	Very low	35.9	Very low	213 Å²	213	154.2 Å²	154.2	80%	0.804	82%	0.824	S	S	*	*			trans	-73.6	114.3	167.5	-87.3	-178.3	168.1	-179.7	-2.7	109.6	S7	S7-R9 PolarHBondContact O-N 3.45Å
10	A	36.9	Very low	36.1	Very low	98 Å²	98	153.5 Å²	153.5	81%	0.81	83%	0.825	S	S	*	*			trans	-90.1	97.6	164.2	0	0	0	0	0	108.5	I8	I8-A10 PolarHBondContact O-N 3.43Å
11	E	35.9	Very low	36.4	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	82%	0.815	S	S	*	*			trans	-83.6	118.4	171.2	-76.3	-179.3	177.2	0	0	109.7
12	A	32.8	Very low	36.7	Very low	87 Å²	87	148.9 Å²	148.9	72%	0.719	80%	0.8	S	S	*	*			trans	-89.3	120	173.2	0	0	0	0	0	109.9
13	W	30.7	Very low	37.1	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.86	79%	0.792	S	S	*	*			trans	-145.3	100	161.4	-77.9	90.4	0	0	0	111.6
14	L	30.3	Very low	37.9	Very low	144 Å²	144	141.3 Å²	141.3	75%	0.754	79%	0.787	S	S	*	*			trans	16.5	115.5	136.1	-75.7	140.7	0	0	0	119.7
15	I	35.3	Very low	38.7	Very low	169 Å²	169	143 Å²	143	87%	0.867	79%	0.794	S	S	*	*			trans	-142.9	96	133.8	-52.7	-178	0	0	0	107.9
16	V	37.2	Very low	39.1	Very low	130 Å²	130	145.8 Å²	145.8	79%	0.788	79%	0.785	S	S	*	*			trans	-101.2	108.8	167.6	179.3	0	0	0	0	107
17	S	36.1	Very low	40.1	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	78%	0.779	S	S	*	*			trans	-65.8	129.5	177.7	-173.8	0	0	0	0	110.9
18	P	41.2	Very low	41.4	Very low	108 Å²	108	149 Å²	149	70%	0.701	78%	0.784	S	S	*	*			trans	-82.3	149.3	174.5	32	-30	0	0	0	111.7
19	E	39.3	Very low	42.5	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	78%	0.778	S	S	*	*			trans	70.5	69.6	153.2	-103.5	163.8	165.7	0	0	119.3	T21	E19-T21 VanDerWaalsContact C-N 3.32Å; E19-T21 PolarHBondContact O-N 3.14Å
20	V	40.6	Very low	43.2	Very low	139 Å²	139	139.3 Å²	139.3	84%	0.842	76%	0.755	S	S	*	*			trans	-78	87.7	149.4	-178.7	0	0	0	0	108	K22	V20-K22 PolarHBondContact O-N 3.05Å
21	T	40.9	Very low	44.4	Very low	100 Å²	100	145.6 Å²	145.6	61%	0.613	76%	0.757	S	S	*	*			trans	-63.6	103.9	160.7	38	0	0	0	0	107.5	E19 I23	E19-T21 VanDerWaalsContact C-N 3.32Å; E19-T21 PolarHBondContact O-N 3.14Å; T21-I23 VanDerWaalsContact C-N 3.27Å; T21-I23 PolarHBondContact O-N 3.25Å
22	K	43.8	Very low	45.5	Very low	184 Å²	184	144.3 Å²	144.3	80%	0.8	76%	0.76	S	S	*	*			trans	-61.9	91.3	169.3	-88.6	-178.6	172.9	179.4	0	108.5	V20 M24	V20-K22 PolarHBondContact O-N 3.05Å; K22-M24 VanDerWaalsContact C-N 3.33Å; K22-M24 PolarHBondContact O-N 3.33Å
23	I	43	Very low	46.9	Very low	159 Å²	159	142.3 Å²	142.3	82%	0.815	74%	0.739	S	S	*	*			trans	-68.9	98.1	165.4	-56.1	174.2	0	0	0	105.3	T21 A25	T21-I23 VanDerWaalsContact C-N 3.27Å; T21-I23 PolarHBondContact O-N 3.25Å; I23-A25 PolarHBondContact O-N 2.98Å
24	M	50.8	Low	48.2	Very low	165 Å²	165	139 Å²	139	81%	0.813	74%	0.737	S	S	*	*			trans	-61.2	134.9	173.2	-79.8	-141.8	141.7	0	0	109.3	K22 K26	K22-M24 VanDerWaalsContact C-N 3.33Å; K22-M24 PolarHBondContact O-N 3.33Å; M24-K26 PolarHBondContact O-N 3Å
25	A	53.1	Low	49.6	Very low	108 Å²	108	137.1 Å²	137.1	89%	0.893	73%	0.728	S	S	*	*			trans	-59.4	100.4	178.5	0	0	0	0	0	109.5	I23 E27	I23-A25 PolarHBondContact O-N 2.98Å; A25-E27 PolarHBondContact O-N 3.04Å
26	K	49.2	Very low	50.7	Low	168 Å²	168	134.1 Å²	134.1	73%	0.73	71%	0.713	S	S	*	*			trans	-86.9	102.9	173.4	-179.3	-178.3	179.5	178.5	0	107.6	M24 Q28	M24-K26 PolarHBondContact O-N 3Å; K26-Q28 PolarHBondContact O-N 3.26Å
27	E	58.8	Low	51.8	Low	159 Å²	159	134.9 Å²	134.9	74%	0.743	71%	0.706	S	S	*	*			trans	-71.8	116.9	167.7	-160.3	164.6	-152.6	0	0	107.9	A25 T29 D30	A25-E27 PolarHBondContact O-N 3.04Å; E27-T29 PolarHBondContact O-N 3.32Å; E27-D30 PolarHBondContact O-N 3.36Å
28	Q	62.5	Low	53	Low	181 Å²	181	132.6 Å²	132.6	85%	0.846	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-12.8	-165.3	-78	-171	-5	0	0	114.5	K26	K26-Q28 PolarHBondContact O-N 3.26Å
29	T	58.7	Low	54.2	Low	118 Å²	118	136.7 Å²	136.7	72%	0.724	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-6.3	-172.8	45.6	0	0	0	0	115	E27 R31	E27-T29 PolarHBondContact O-N 3.32Å; T29-R31 PolarHBondContact O-N 2.91Å; T29-R31 VanDerWaalsContact O-N 3.14Å
30	D	50	Low	55	Low	58 Å²	58	136.9 Å²	136.9	31%	0.31	70%	0.704	S	S	.	*			trans	-76.3	104.7	176.5	-177	10.2	0	0	0	110.9	E27 T32 T33	E27-D30 PolarHBondContact O-N 3.36Å; D30-T32 PolarHBondContact OD1-N 2.97Å; D30-T32 PolarHBondContact OD1-OG1 2.74Å; D30-T33 PolarHBondContact OD1-N 3.47Å; D30-T33 PolarHBondContact OD1-OG1 3Å; D30-T33 VanDerWaalsContact OD2-CB 3.28Å; D30-T33 WeakPolarHBondContact OD2-CB 3.41Å; D30-T33 PolarHBondContact OD2-OG1 2.91Å
31	R	61.5	Low	55.7	Low	229 Å²	229	141.9 Å²	141.9	86%	0.864	71%	0.708	S	S	*	*			trans	-105.1	2.3	174.5	-56.2	-161.8	-161.9	-175	7.4	113.3	T29	T29-R31 PolarHBondContact O-N 2.91Å; T29-R31 VanDerWaalsContact O-N 3.14Å
32	T	59	Low	56.6	Low	125 Å²	125	146.4 Å²	146.4	77%	0.767	71%	0.713	S	S	*	*			trans	-102.5	-20.8	-172	42.6	0	0	0	0	113.7	D30 L34	D30-T32 PolarHBondContact OD1-N 2.97Å; D30-T32 PolarHBondContact OD1-OG1 2.74Å; T32-L34 PolarHBondContact O-N 3.47Å
33	T	63.3	Low	57.2	Low	46 Å²	46	144 Å²	144	28%	0.282	72%	0.717	S	S	.	*			trans	-74.9	93.3	176.8	-57.2	0	0	0	0	110.2	D30 D35 L36	D30-T33 PolarHBondContact OD1-N 3.47Å; D30-T33 PolarHBondContact OD1-OG1 3Å; D30-T33 VanDerWaalsContact OD2-CB 3.28Å; D30-T33 WeakPolarHBondContact OD2-CB 3.41Å; D30-T33 PolarHBondContact OD2-OG1 2.91Å; T33-D35 HydrophobicContact CG2-CB 4.41Å; T33-D35 WeakPolarHBondContact CG2-OD1 3.41Å; T33-D35 PolarHBondContact O-N 3.42Å; T33-D35 VanDerWaalsContact O-N 3.08Å; T33-L36 HydrophobicContact CG2-CD1 4.25Å; T33-L36 HydrophobicContact CG2-CG 4.01Å; T33-L36 WeakPolarHBondContact O-CB 3.22Å; T33-L36 PolarHBondContact O-N 3.3Å
34	L	57.2	Low	57.5	Low	157 Å²	157	139.2 Å²	139.2	82%	0.822	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-52.5	-30.6	-178.9	-138.6	82.6	0	0	0	112.5	T32 L36	T32-L34 PolarHBondContact O-N 3.47Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 3.25Å
35	D	59.3	Low	57.6	Low	105 Å²	105	142.7 Å²	142.7	56%	0.561	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-76.4	-12.1	-176.6	22.4	-43.6	0	0	0	114.1	T33 F37	T33-D35 HydrophobicContact CG2-CB 4.41Å; T33-D35 WeakPolarHBondContact CG2-OD1 3.41Å; T33-D35 PolarHBondContact O-N 3.42Å; T33-D35 VanDerWaalsContact O-N 3.08Å; D35-F37 VanDerWaalsContact C-N 3.25Å; D35-F37 PolarHBondContact O-N 2.97Å
36	L	59.5	Low	57.6	Low	106 Å²	106	142.6 Å²	142.6	56%	0.555	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-70.3	-20.6	172.5	-79.1	167	0	0	0	113.2	T33 L34	T33-L36 HydrophobicContact CG2-CD1 4.25Å; T33-L36 HydrophobicContact CG2-CG 4.01Å; T33-L36 WeakPolarHBondContact O-CB 3.22Å; T33-L36 PolarHBondContact O-N 3.3Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 3.25Å
37	F	61	Low	58	Low	146 Å²	146	144.6 Å²	144.6	64%	0.64	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-113.7	5.5	-175.8	-56.8	-74.6	0	0	0	113.9	D35 H39	D35-F37 VanDerWaalsContact C-N 3.25Å; D35-F37 PolarHBondContact O-N 2.97Å; F37-H39 PolarHBondContact O-N 2.98Å
38	A	61.1	Low	58.3	Low	56 Å²	56	142.6 Å²	142.6	46%	0.463	71%	0.708	S	S	.	*			trans	-76.4	107.8	177.3	0	0	0	0	0	110.4	E40	A38-E40 PolarHBondContact O-N 3.46Å
39	H	65.5	Low	58.8	Low	194 Å²	194	137.7 Å²	137.7	90%	0.898	69%	0.688	S	S	*	*			trans	-69.6	-13.7	174.2	-65.1	-57.8	0	0	0	113.4	F37	F37-H39 PolarHBondContact O-N 2.98Å
40	E	55.8	Low	60	Low	171 Å²	171	138.1 Å²	138.1	80%	0.799	69%	0.693	S	S	*	*	S	Bend	trans	-85.3	116.6	177	-66.7	-175	-179.4	0	0	110.8	A38 R42	A38-E40 PolarHBondContact O-N 3.46Å; E40-R42 PolarHBondContact O-N 2.83Å
41	R	56.7	Low	61.5	Low	244 Å²	244	138.3 Å²	138.3	92%	0.921	69%	0.693	S	S	*	*			trans	-63.4	107.9	170.2	-74.5	-169	176.9	-170.4	0.9	108.9
42	R	58.2	Low	62.7	Low	195 Å²	195	130.2 Å²	130.2	74%	0.736	67%	0.672	S	S	*	*			trans	-57.4	130.5	167.9	-65.9	-172.7	-178.6	-168.5	3.1	108.4	E40 G44	E40-R42 PolarHBondContact O-N 2.83Å; R42-G44 PolarHBondContact O-N 3.17Å
43	P	56.4	Low	63.8	Low	135 Å²	135	133.3 Å²	133.3	88%	0.877	67%	0.67	S	S	*	*			trans	-59	101.6	177.7	20.9	-29.7	0	0	0	108.9
44	G	49.9	Very low	64.9	Low	58 Å²	58	136.1 Å²	136.1	60%	0.598	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-68.8	157	-179.6	0	0	0	0	0	111	R42 P46	R42-G44 PolarHBondContact O-N 3.17Å; G44-P46 WeakPolarHBondContact O-CD 3.27Å; G44-P46 VanDerWaalsContact O-N 3.16Å
45	R	53.9	Low	66.3	Low	237 Å²	237	132.4 Å²	132.4	89%	0.894	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-46.7	120.9	173.9	-170.5	-177.4	-162.1	-151.7	5.1	109.5	K47	R45-K47 PolarHBondContact O-N 3.06Å
46	P	52.8	Low	67.3	Low	106 Å²	106	129.9 Å²	129.9	69%	0.688	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-51.8	128.6	177.4	-26.7	33.4	0	0	0	110	G44 T48	G44-P46 WeakPolarHBondContact O-CD 3.27Å; G44-P46 VanDerWaalsContact O-N 3.16Å; P46-T48 PolarHBondContact O-N 2.95Å
47	K	57.2	Low	68.4	Low	211 Å²	211	129.4 Å²	129.4	92%	0.917	64%	0.644	S	S	*	*	S	Bend	trans	-66.2	-19.9	-176.3	-72.4	-173.6	177.8	-179	0	112.7	R45	R45-K47 PolarHBondContact O-N 3.06Å
48	T	65.6	Low	69.7	Low	116 Å²	116	130.5 Å²	130.5	71%	0.712	64%	0.644	S	S	*	*	S	Bend	trans	-139.8	141.2	179.8	51.7	0	0	0	0	109.8	P46	P46-T48 PolarHBondContact O-N 2.95Å
49	N	72.6	Confident	70.6	Confident	78 Å²	78	131.2 Å²	131.2	42%	0.417	64%	0.639	S	S	.	*			trans	-76.4	129.7	173.6	-173.1	-33.8	0	0	0	108.2	L51 Q56	N49-L51 PolarHBondContact O-N 2.94Å; N49-L51 WeakPolarHBondContact OD1-CB 3.46Å; N49-L51 PolarHBondContact OD1-N 2.8Å; N49-Q56 HydrophobicContact CB-CG 4.33Å
50	P	82.4	Confident	71.4	Confident	127 Å²	127	126.5 Å²	126.5	83%	0.825	62%	0.621	S	S	*	*	S	Bend	trans	-67	-15.4	-177.4	27.3	-36.1	0	0	0	113.7
51	L	82.2	Confident	72.7	Confident	62 Å²	62	124.3 Å²	124.3	33%	0.325	61%	0.608	S	S	.	*	S	Bend	trans	-85.8	153.8	-176.3	-60.9	174.8	0	0	0	112.2	N49 E55 Q56 I59	N49-L51 PolarHBondContact O-N 2.94Å; N49-L51 WeakPolarHBondContact OD1-CB 3.46Å; N49-L51 PolarHBondContact OD1-N 2.8Å; L51-E55 HydrophobicContact CB-CB 4.1Å; L51-Q56 HydrophobicContact CB-CG 3.97Å; L51-Q56 PolarHBondContact O-NE2 3.35Å; L51-I59 HydrophobicContact CD1-CD1 3.15Å
52	S	86.2	Confident	74.1	Confident	59 Å²	59	120.7 Å²	120.7	41%	0.413	60%	0.595	S	S	.	*			trans	-62.6	156.2	170.8	65.6	0	0	0	0	111.4	D54 E55 Q56	S52-D54 VanDerWaalsContact C-N 3.25Å; S52-D54 PolarHBondContact O-N 2.98Å; S52-E55 PolarHBondContact N-OE2 2.71Å; S52-E55 VanDerWaalsContact N-OE2 3.15Å; S52-E55 PolarHBondContact O-N 2.96Å; S52-E55 VanDerWaalsContact O-N 3.17Å; S52-E55 WeakPolarHBondContact OG-CB 3.48Å; S52-E55 VanDerWaalsContact OG-CD 3.26Å; S52-E55 VanDerWaalsContact OG-CG 3.26Å; S52-E55 WeakPolarHBondContact OG-CG 3.4Å; S52-E55 PolarHBondContact OG-N 2.93Å; S52-E55 PolarHBondContact OG-OE2 3.15Å; S52-Q56 VanDerWaalsContact O-CG 3.29Å; S52-Q56 WeakPolarHBondContact O-CG 3.21Å; S52-Q56 PolarHBondContact O-N 3Å
53	R	82.7	Confident	75.3	Confident	190 Å²	190	114.4 Å²	114.4	72%	0.717	58%	0.576	S	S	*	*	H	α-helix	trans	-59.4	-36	-177.9	-173.1	160.4	175.5	101.1	-4.8	112.8	Q56 L57	R53-Q56 WeakPolarHBondContact O-CB 3.47Å; R53-Q56 PolarHBondContact O-N 3.02Å; R53-L57 WeakPolarHBondContact O-CG 3.39Å; R53-L57 PolarHBondContact O-N 3.11Å
54	D	87.4	Confident	76.4	Confident	106 Å²	106	113 Å²	113	57%	0.567	56%	0.558	S	S	*	*	H	α-helix	trans	-67.4	-40.8	177.5	-67.4	-17.4	0	0	0	112.3	S52 L57 R58	S52-D54 VanDerWaalsContact C-N 3.25Å; S52-D54 PolarHBondContact O-N 2.98Å; D54-L57 PolarHBondContact O-N 3.17Å; D54-R58 WeakPolarHBondContact O-CG 3.44Å; D54-R58 PolarHBondContact O-N 3.42Å
55	E	86.8	Confident	77.9	Confident	79 Å²	79	114 Å²	114	37%	0.369	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-39.8	173.9	-72.7	169.2	146.1	0	0	111.7	L51 S52 L57 R58 I59	L51-E55 HydrophobicContact CB-CB 4.1Å; S52-E55 PolarHBondContact N-OE2 2.71Å; S52-E55 VanDerWaalsContact N-OE2 3.15Å; S52-E55 PolarHBondContact O-N 2.96Å; S52-E55 VanDerWaalsContact O-N 3.17Å; S52-E55 WeakPolarHBondContact OG-CB 3.48Å; S52-E55 VanDerWaalsContact OG-CD 3.26Å; S52-E55 VanDerWaalsContact OG-CG 3.26Å; S52-E55 WeakPolarHBondContact OG-CG 3.4Å; S52-E55 PolarHBondContact OG-N 2.93Å; S52-E55 PolarHBondContact OG-OE2 3.15Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3.13Å; E55-R58 PolarHBondContact O-N 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.46Å; E55-I59 PolarHBondContact O-N 2.94Å
56	Q	80.3	Confident	79.2	Confident	51 Å²	51	108.2 Å²	108.2	24%	0.238	53%	0.53	C	S	.	.	H	α-helix	trans	-58.3	-44.8	173.7	-68.1	179.1	44.5	0	0	111.3	N49 L51 S52 R53 I59 N60	N49-Q56 HydrophobicContact CB-CG 4.33Å; L51-Q56 HydrophobicContact CB-CG 3.97Å; L51-Q56 PolarHBondContact O-NE2 3.35Å; S52-Q56 VanDerWaalsContact O-CG 3.29Å; S52-Q56 WeakPolarHBondContact O-CG 3.21Å; S52-Q56 PolarHBondContact O-N 3Å; R53-Q56 WeakPolarHBondContact O-CB 3.47Å; R53-Q56 PolarHBondContact O-N 3.02Å; Q56-I59 PolarHBondContact O-N 3.48Å; Q56-N60 WeakPolarHBondContact O-CB 3.44Å; Q56-N60 PolarHBondContact O-N 3.48Å; Q56-N60 PolarHBondContact O-ND2 3.1Å
57	L	82.2	Confident	80.7	Confident	97 Å²	97	109.7 Å²	109.7	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.8	-73.3	170.7	0	0	0	111.9	R53 D54 E55 N60 K61	R53-L57 WeakPolarHBondContact O-CG 3.39Å; R53-L57 PolarHBondContact O-N 3.11Å; D54-L57 PolarHBondContact O-N 3.17Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3.13Å; L57-N60 PolarHBondContact O-N 2.96Å; L57-K61 WeakPolarHBondContact O-CB 3.22Å; L57-K61 PolarHBondContact O-N 3.44Å
58	R	87.9	Confident	81.8	Confident	168 Å²	168	101.9 Å²	101.9	63%	0.634	49%	0.49	S	S	*	.	H	α-helix	trans	-62.5	-43.5	175.9	-70.2	-175.2	-142.6	143.2	5.1	112.3	D54 E55 K61 R62	D54-R58 WeakPolarHBondContact O-CG 3.44Å; D54-R58 PolarHBondContact O-N 3.42Å; E55-R58 PolarHBondContact O-N 3.3Å; R58-K61 PolarHBondContact O-N 3.29Å; R58-R62 WeakPolarHBondContact O-CB 3.49Å; R58-R62 PolarHBondContact O-N 3.19Å
59	I	79.1	Confident	82.6	Confident	72 Å²	72	104.5 Å²	104.5	37%	0.369	49%	0.491	S	S	.	.	H	α-helix	trans	-66.5	-42.8	178.5	-70.8	172.3	0	0	0	110.9	L51 E55 Q56 K61 R62 N63	L51-I59 HydrophobicContact CD1-CD1 3.15Å; E55-I59 WeakPolarHBondContact O-CG1 3.46Å; E55-I59 PolarHBondContact O-N 2.94Å; Q56-I59 PolarHBondContact O-N 3.48Å; I59-K61 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 2.91Å; I59-R62 PolarHBondContact O-N 3.49Å; I59-N63 WeakPolarHBondContact O-CB 3.44Å; I59-N63 VanDerWaalsContact O-CG 3.31Å; I59-N63 PolarHBondContact O-N 2.57Å
60	N	82.4	Confident	83.1	Confident	95 Å²	95	107 Å²	107	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-44.6	177	-73.3	-16.4	0	0	0	111.3	Q56 L57 R62 N63 Q64	Q56-N60 WeakPolarHBondContact O-CB 3.44Å; Q56-N60 PolarHBondContact O-N 3.48Å; Q56-N60 PolarHBondContact O-ND2 3.1Å; L57-N60 PolarHBondContact O-N 2.96Å; N60-R62 PolarHBondContact O-N 2.99Å; N60-N63 PolarHBondContact O-N 2.73Å; N60-Q64 WeakPolarHBondContact O-CB 3.23Å; N60-Q64 PolarHBondContact O-N 3.08Å
61	K	83	Confident	83.1	Confident	125 Å²	125	110 Å²	110	54%	0.543	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-44.3	174.5	-171.9	173.8	-177.5	176.6	0	111.8	L57 R58 I59 N63 Q64 L65	L57-K61 WeakPolarHBondContact O-CB 3.22Å; L57-K61 PolarHBondContact O-N 3.44Å; R58-K61 PolarHBondContact O-N 3.29Å; I59-K61 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 2.91Å; K61-N63 PolarHBondContact O-N 3.32Å; K61-Q64 PolarHBondContact O-N 2.91Å; K61-L65 HydrophobicContact CG-CD1 4.47Å; K61-L65 WeakPolarHBondContact O-CG 3.22Å; K61-L65 PolarHBondContact O-N 3.47Å
62	R	87.1	Confident	83	Confident	168 Å²	168	110 Å²	110	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-40.8	176.6	-172.1	178.4	-175.6	-179.2	1.1	112.3	R58 I59 N60 K66	R58-R62 WeakPolarHBondContact O-CB 3.49Å; R58-R62 PolarHBondContact O-N 3.19Å; I59-R62 PolarHBondContact O-N 3.49Å; N60-R62 PolarHBondContact O-N 2.99Å; R62-K66 WeakPolarHBondContact O-CG 3.46Å; R62-K66 PolarHBondContact O-N 3.01Å
63	N	83.8	Confident	82.6	Confident	63 Å²	63	112 Å²	112	34%	0.337	53%	0.525	S	S	.	.	H	α-helix	trans	-70.9	-33.6	178.9	-72.7	-17.4	0	0	0	112.3	I59 N60 K61 R67	I59-N63 WeakPolarHBondContact O-CB 3.44Å; I59-N63 VanDerWaalsContact O-CG 3.31Å; I59-N63 PolarHBondContact O-N 2.57Å; N60-N63 PolarHBondContact O-N 2.73Å; K61-N63 PolarHBondContact O-N 3.32Å; N63-R67 WeakPolarHBondContact O-CG 3.39Å; N63-R67 PolarHBondContact O-N 2.94Å; N63-R67 VanDerWaalsContact O-N 3.1Å
64	Q	78.8	Confident	82.4	Confident	106 Å²	106	112.1 Å²	112.1	50%	0.495	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-53.5	171.5	-175.3	172	20.5	0	0	110.8	N60 K61 K66 R67 D68	N60-Q64 WeakPolarHBondContact O-CB 3.23Å; N60-Q64 PolarHBondContact O-N 3.08Å; K61-Q64 PolarHBondContact O-N 2.91Å; Q64-K66 PolarHBondContact O-N 2.87Å; Q64-R67 WeakPolarHBondContact O-CB 3.2Å; Q64-R67 PolarHBondContact O-N 2.91Å; Q64-D68 VanDerWaalsContact O-CG 3.24Å; Q64-D68 PolarHBondContact O-N 3.39Å
65	L	81.3	Confident	81.9	Confident	77 Å²	77	114.8 Å²	114.8	40%	0.403	53%	0.532	S	S	.	.	H	α-helix	trans	-57.1	-36.5	177.5	-69.2	169.5	0	0	0	113.1	K61 K69	K61-L65 HydrophobicContact CG-CD1 4.47Å; K61-L65 WeakPolarHBondContact O-CG 3.22Å; K61-L65 PolarHBondContact O-N 3.47Å; L65-K69 WeakPolarHBondContact O-CB 3.48Å; L65-K69 PolarHBondContact O-N 3.36Å
66	K	82.5	Confident	81.4	Confident	116 Å²	116	116.3 Å²	116.3	50%	0.504	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-43.4	173.8	-79.7	-177.1	176.6	-173.7	0	112.3	R62 Q64 V70	R62-K66 WeakPolarHBondContact O-CG 3.46Å; R62-K66 PolarHBondContact O-N 3.01Å; Q64-K66 PolarHBondContact O-N 2.87Å; K66-V70 VanDerWaalsContact O-CG2 3.27Å; K66-V70 WeakPolarHBondContact O-CG2 3.31Å; K66-V70 PolarHBondContact O-N 2.96Å
67	R	83.5	Confident	81.3	Confident	138 Å²	138	120.6 Å²	120.6	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-41.2	177.4	-73.1	-171.8	-59.4	-92.2	1.4	111.3	N63 Q64 V70 R71	N63-R67 WeakPolarHBondContact O-CG 3.39Å; N63-R67 PolarHBondContact O-N 2.94Å; N63-R67 VanDerWaalsContact O-N 3.1Å; Q64-R67 WeakPolarHBondContact O-CB 3.2Å; Q64-R67 PolarHBondContact O-N 2.91Å; R67-V70 PolarHBondContact O-N 3.25Å; R67-R71 WeakPolarHBondContact O-CG 3.46Å; R67-R71 PolarHBondContact O-N 2.99Å
68	D	80.6	Confident	81.1	Confident	46 Å²	46	123 Å²	123	25%	0.246	58%	0.579	C	S	.	*	H	α-helix	trans	-63.7	-46.1	178.9	-58.5	-17.5	0	0	0	110.2	Q64 V70 R71 G72 L73	Q64-D68 VanDerWaalsContact O-CG 3.24Å; Q64-D68 PolarHBondContact O-N 3.39Å; D68-V70 VanDerWaalsContact C-N 3.32Å; D68-V70 PolarHBondContact O-N 3.31Å; D68-R71 CarbonylContact O-C 3.47Å; D68-R71 WeakPolarHBondContact O-CA 3.33Å; D68-R71 WeakPolarHBondContact O-CB 2.95Å; D68-R71 PolarHBondContact O-N 2.73Å; D68-G72 PolarHBondContact O-N 3.47Å; D68-L73 HydrophobicContact CB-CB 4.14Å; D68-L73 WeakPolarHBondContact O-CB 3.48Å; D68-L73 PolarHBondContact O-N 3.15Å
69	K	82.5	Confident	80.8	Confident	172 Å²	172	124.9 Å²	124.9	75%	0.748	59%	0.592	S	S	*	*	H	α-helix	trans	-59.3	-39.8	174.6	-173.4	174.9	-177.9	176.8	0	113	L65 R71 G72	L65-K69 WeakPolarHBondContact O-CB 3.48Å; L65-K69 PolarHBondContact O-N 3.36Å; K69-R71 VanDerWaalsContact C-N 3.28Å; K69-R71 PolarHBondContact O-N 3.04Å; K69-G72 PolarHBondContact O-N 3.44Å; K69-G72 VanDerWaalsContact O-N 3.16Å
70	V	81.8	Confident	81	Confident	130 Å²	130	126.2 Å²	126.2	79%	0.788	60%	0.6	S	S	*	*	H	α-helix	trans	-67.5	-30.6	176.4	169.4	0	0	0	0	111.6	K66 R67 D68 G72	K66-V70 VanDerWaalsContact O-CG2 3.27Å; K66-V70 WeakPolarHBondContact O-CG2 3.31Å; K66-V70 PolarHBondContact O-N 2.96Å; R67-V70 PolarHBondContact O-N 3.25Å; D68-V70 VanDerWaalsContact C-N 3.32Å; D68-V70 PolarHBondContact O-N 3.31Å; V70-G72 PolarHBondContact O-N 2.85Å
71	R	83.2	Confident	81.2	Confident	190 Å²	190	126 Å²	126	72%	0.717	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	5	173.3	-70.8	176.9	175.2	-170.9	-4.8	113.5	R67 D68 K69 L73	R67-R71 WeakPolarHBondContact O-CG 3.46Å; R67-R71 PolarHBondContact O-N 2.99Å; D68-R71 CarbonylContact O-C 3.47Å; D68-R71 WeakPolarHBondContact O-CA 3.33Å; D68-R71 WeakPolarHBondContact O-CB 2.95Å; D68-R71 PolarHBondContact O-N 2.73Å; K69-R71 VanDerWaalsContact C-N 3.28Å; K69-R71 PolarHBondContact O-N 3.04Å; R71-L73 HydrophobicContact CB-CD1 3.9Å; R71-L73 HydrophobicContact CB-CG 4.26Å; R71-L73 PolarHBondContact O-N 2.99Å
72	G	80.1	Confident	81.3	Confident	62 Å²	62	123.3 Å²	123.3	64%	0.639	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.4	2.9	-175.8	0	0	0	0	0	114.3	D68 K69 V70 K74	D68-G72 PolarHBondContact O-N 3.47Å; K69-G72 PolarHBondContact O-N 3.44Å; K69-G72 VanDerWaalsContact O-N 3.16Å; V70-G72 PolarHBondContact O-N 2.85Å; G72-K74 PolarHBondContact O-N 3.21Å
73	L	78.3	Confident	81.3	Confident	101 Å²	101	120 Å²	120	53%	0.529	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-76.3	119.4	-179.2	-67.1	157.2	0	0	0	109.7	D68 R71	D68-L73 HydrophobicContact CB-CB 4.14Å; D68-L73 WeakPolarHBondContact O-CB 3.48Å; D68-L73 PolarHBondContact O-N 3.15Å; R71-L73 HydrophobicContact CB-CD1 3.9Å; R71-L73 HydrophobicContact CB-CG 4.26Å; R71-L73 PolarHBondContact O-N 2.99Å
74	K	78.7	Confident	81.3	Confident	192 Å²	192	117.9 Å²	117.9	84%	0.835	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-94.1	131.8	168.7	-68.8	179.8	-175	169.2	0	108.8	G72 V76	G72-K74 PolarHBondContact O-N 3.21Å; K74-V76 PolarHBondContact O-N 3.47Å
75	R	76.4	Confident	81.6	Confident	162 Å²	162	115.1 Å²	115.1	61%	0.611	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-82.8	117.6	177.3	-172.4	168.4	-177.5	-115.9	-10.8	109.3	E77	R75-E77 IonicContact CZ-OE1 2.72Å; R75-E77 IonicContact NE-OE1 3.89Å; R75-E77 IonicContact NH1-OE1 3.32Å; R75-E77 PolarHBondContact NH1-OE1 2.81Å; R75-E77 IonicContact NH2-OE1 3.63Å; R75-E77 PolarHBondContact NH2-OE1 3.35Å
76	V	75.6	Confident	82	Confident	112 Å²	112	116.7 Å²	116.7	68%	0.679	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-102.9	132.9	171.2	-174.7	0	0	0	0	107.9	K74 L78	K74-V76 PolarHBondContact O-N 3.47Å; V76-L78 HydrophobicContact CG1-CD2 4.1Å; V76-L78 HydrophobicContact CG1-CG 4.07Å
77	E	79.4	Confident	82.2	Confident	140 Å²	140	111.5 Å²	111.5	65%	0.654	56%	0.557	S	S	*	*			trans	-113	114.1	173.5	-68	-172.3	168.8	0	0	108.2	R75	R75-E77 IonicContact CZ-OE1 2.72Å; R75-E77 IonicContact NE-OE1 3.89Å; R75-E77 IonicContact NH1-OE1 3.32Å; R75-E77 PolarHBondContact NH1-OE1 2.81Å; R75-E77 IonicContact NH2-OE1 3.63Å; R75-E77 PolarHBondContact NH2-OE1 3.35Å
78	L	77.7	Confident	82.3	Confident	147 Å²	147	105.7 Å²	105.7	77%	0.77	54%	0.536	S	S	*	.			trans	-104.4	137.5	177.8	-63.7	169.8	0	0	0	109.4	V76	V76-L78 HydrophobicContact CG1-CD2 4.1Å; V76-L78 HydrophobicContact CG1-CG 4.07Å
79	K	80.9	Confident	82.7	Confident	209 Å²	209	106.5 Å²	106.5	91%	0.909	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-96.8	117.3	171.3	-71.4	-177.1	179.7	176	0	108.2
80	L	83.3	Confident	82.9	Confident	100 Å²	100	102.5 Å²	102.5	52%	0.524	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-98	148.7	173	-60.9	175.6	0	0	0	109.2	V85 L88	L80-V85 HydrophobicContact CB-CG2 3.84Å; L80-V85 HydrophobicContact CD1-CG2 4.37Å; L80-L88 HydrophobicContact CD1-CD1 4.11Å
81	N	85.7	Confident	83	Confident	89 Å²	89	97.8 Å²	97.8	48%	0.476	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-68.7	158.2	169	62.7	13.6	0	0	0	109.7	E83 A84 V85	N81-E83 PolarHBondContact O-N 3.44Å; N81-A84 PolarHBondContact O-N 3.45Å; N81-A84 WeakPolarHBondContact OD1-CA 3.42Å; N81-A84 WeakPolarHBondContact OD1-CB 3.35Å; N81-A84 PolarHBondContact OD1-N 3.41Å; N81-V85 WeakPolarHBondContact O-CG2 3.06Å; N81-V85 PolarHBondContact O-N 3.22Å
82	A	86.8	Confident	83.3	Confident	70 Å²	70	89 Å²	89	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-59	-37.9	-178.7	0	0	0	0	0	111.6	A84 V85 E86	A82-A84 PolarHBondContact O-N 3.29Å; A82-V85 PolarHBondContact O-N 3.01Å; A82-E86 PolarHBondContact O-N 3.08Å
83	E	86.1	Confident	83.6	Confident	97 Å²	97	93.6 Å²	93.6	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-40.4	-178.5	-60.5	175	162.9	0	0	112.9	N81 V85 E86 A87 K139	N81-E83 PolarHBondContact O-N 3.44Å; E83-V85 VanDerWaalsContact C-N 3.34Å; E83-E86 PolarHBondContact O-N 3.49Å; E83-A87 WeakPolarHBondContact O-CB 3.34Å; E83-A87 PolarHBondContact O-N 2.89Å; E83-K139 IonicContact OE2-NZ 2.57Å; E83-K139 PolarHBondContact OE2-NZ 3.22Å
84	A	83.2	Confident	84.1	Confident	20 Å²	20	92.3 Å²	92.3	17%	0.165	47%	0.467	C	S	.	.	H	α-helix	trans	-69	-35.6	175.1	0	0	0	0	0	111.5	N81 A82 A87 L88	N81-A84 PolarHBondContact O-N 3.45Å; N81-A84 WeakPolarHBondContact OD1-CA 3.42Å; N81-A84 WeakPolarHBondContact OD1-CB 3.35Å; N81-A84 PolarHBondContact OD1-N 3.41Å; A82-A84 PolarHBondContact O-N 3.29Å; A84-A87 PolarHBondContact O-N 3.48Å; A84-L88 WeakPolarHBondContact O-CB 3.11Å; A84-L88 WeakPolarHBondContact O-CG 3.36Å; A84-L88 PolarHBondContact O-N 2.89Å
85	V	86.9	Confident	84.4	Confident	47 Å²	47	87.5 Å²	87.5	29%	0.285	44%	0.443	S	S	.	.	H	α-helix	trans	-66.8	-39.5	176.1	177.5	0	0	0	0	111	L80 N81 A82 E83 N89	L80-V85 HydrophobicContact CB-CG2 3.84Å; L80-V85 HydrophobicContact CD1-CG2 4.37Å; N81-V85 WeakPolarHBondContact O-CG2 3.06Å; N81-V85 PolarHBondContact O-N 3.22Å; A82-V85 PolarHBondContact O-N 3.01Å; E83-V85 VanDerWaalsContact C-N 3.34Å; V85-N89 PolarHBondContact O-N 3.27Å; V85-N89 VanDerWaalsContact O-N 3.1Å; V85-N89 PolarHBondContact O-ND2 3.43Å; V85-N89 VanDerWaalsContact O-ND2 3.08Å
86	E	88	Confident	85.1	Confident	111 Å²	111	87.2 Å²	87.2	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-49	173.8	-76	176.2	176.3	0	0	111.4	A82 E83 L88 N89 E90	A82-E86 PolarHBondContact O-N 3.08Å; E83-E86 PolarHBondContact O-N 3.49Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.47Å; E86-N89 WeakPolarHBondContact O-CB 3.48Å; E86-N89 PolarHBondContact O-N 3.42Å; E86-E90 PolarHBondContact O-N 2.62Å
87	A	87.9	Confident	85.7	Confident	7 Å²	7	84.5 Å²	84.5	6%	0.058	44%	0.435	C	S	.	.	H	α-helix	trans	-57.9	-40.5	176.6	0	0	0	0	0	112.6	E83 A84 N89 E90 L91	E83-A87 WeakPolarHBondContact O-CB 3.34Å; E83-A87 PolarHBondContact O-N 2.89Å; A84-A87 PolarHBondContact O-N 3.48Å; A87-N89 VanDerWaalsContact C-N 3.34Å; A87-N89 PolarHBondContact O-N 3.4Å; A87-E90 PolarHBondContact O-N 2.76Å; A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 3.2Å
88	L	84.8	Confident	86.1	Confident	16 Å²	16	80 Å²	80	8%	0.084	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-36.7	174	-80.2	167.7	0	0	0	112.8	L80 A84 E86 A92 R99 L102 I103 I106 F140	L80-L88 HydrophobicContact CD1-CD1 4.11Å; A84-L88 WeakPolarHBondContact O-CB 3.11Å; A84-L88 WeakPolarHBondContact O-CG 3.36Å; A84-L88 PolarHBondContact O-N 2.89Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.47Å; L88-A92 WeakPolarHBondContact O-CB 3.47Å; L88-A92 PolarHBondContact O-N 2.97Å; L88-R99 HydrophobicContact CB-CG 4.26Å; L88-L102 HydrophobicContact CD2-CD2 4.11Å; L88-L102 WeakPolarHBondContact O-CD2 3.4Å; L88-I103 HydrophobicContact CD1-CD1 4.46Å; L88-I103 HydrophobicContact CD1-CG1 4.48Å; L88-I103 HydrophobicContact CD2-CG1 4.3Å; L88-I106 HydrophobicContact CD2-CD1 4.21Å; L88-F140 HydrophobicContact CD2-CE2 3.7Å; L88-F140 HydrophobicContact CD2-CZ 3.59Å; L88-F140 HydrophobicContact CG-CE2 4.26Å
89	N	88.5	Confident	86.6	Confident	63 Å²	63	78.4 Å²	78.4	34%	0.337	40%	0.402	S	S	.	.	H	α-helix	trans	-68.9	-45.5	177.2	-67.5	-35.5	0	0	0	111.4	V85 E86 A87 L91 A92 E93 R99	V85-N89 PolarHBondContact O-N 3.27Å; V85-N89 VanDerWaalsContact O-N 3.1Å; V85-N89 PolarHBondContact O-ND2 3.43Å; V85-N89 VanDerWaalsContact O-ND2 3.08Å; E86-N89 WeakPolarHBondContact O-CB 3.48Å; E86-N89 PolarHBondContact O-N 3.42Å; A87-N89 VanDerWaalsContact C-N 3.34Å; A87-N89 PolarHBondContact O-N 3.4Å; N89-L91 VanDerWaalsContact C-N 3.33Å; N89-L91 PolarHBondContact O-N 2.96Å; N89-A92 PolarHBondContact O-N 2.92Å; N89-E93 WeakPolarHBondContact O-CB 3.36Å; N89-E93 PolarHBondContact O-N 3.37Å; N89-R99 WeakPolarHBondContact OD1-CD 3.48Å; N89-R99 PolarHBondContact OD1-NH1 3.47Å
90	E	87.8	Confident	86.8	Confident	87 Å²	87	72.3 Å²	72.3	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-44.8	177.7	-69.3	-178.4	179.5	0	0	111	E86 A87 E93 S94 H134	E86-E90 PolarHBondContact O-N 2.62Å; A87-E90 PolarHBondContact O-N 2.76Å; E90-E93 PolarHBondContact O-N 3.16Å; E90-S94 WeakPolarHBondContact O-CB 3.11Å; E90-S94 PolarHBondContact O-N 2.75Å; E90-H134 IonicContact OE2-CE1 3.96Å
91	L	83.7	Confident	86.7	Confident	32 Å²	32	72.5 Å²	72.5	17%	0.168	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-43.5	177.8	-174.6	59.2	0	0	0	111.5	A87 N89 E93 S94 R95 L102 F140	A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 3.2Å; N89-L91 VanDerWaalsContact C-N 3.33Å; N89-L91 PolarHBondContact O-N 2.96Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 3.38Å; L91-S94 PolarHBondContact O-N 3.17Å; L91-S94 PolarHBondContact O-OG 2.84Å; L91-R95 HydrophobicContact CD1-CG 4.44Å; L91-R95 WeakPolarHBondContact O-CG 3.5Å; L91-R95 PolarHBondContact O-N 2.92Å; L91-L102 HydrophobicContact CB-CD2 3.83Å; L91-L102 HydrophobicContact CD2-CD1 4.13Å; L91-L102 HydrophobicContact CD2-CD2 3.92Å; L91-L102 HydrophobicContact CG-CD1 4.23Å; L91-L102 HydrophobicContact CG-CD2 3.78Å; L91-F140 HydrophobicContact CD2-CD2 4.2Å; L91-F140 HydrophobicContact CD2-CE1 4.27Å; L91-F140 HydrophobicContact CD2-CE2 3.74Å; L91-F140 HydrophobicContact CD2-CZ 3.77Å
92	A	89	Confident	86.6	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.033	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-41.7	178.4	0	0	0	0	0	111.7	L88 N89 R95 N96 M97 R99 L102	L88-A92 WeakPolarHBondContact O-CB 3.47Å; L88-A92 PolarHBondContact O-N 2.97Å; N89-A92 PolarHBondContact O-N 2.92Å; A92-R95 CarbonylContact O-C 3.39Å; A92-R95 PolarHBondContact O-N 3.35Å; A92-N96 PolarHBondContact O-N 3.24Å; A92-M97 CarbonylContact C-O 3.55Å; A92-M97 WeakPolarHBondContact CB-O 3.4Å; A92-M97 PolarHBondContact O-N 2.97Å; A92-M97 VanDerWaalsContact O-O 3.1Å; A92-R99 HydrophobicContact CB-CB 4.43Å; A92-L102 HydrophobicContact CB-CB 4.32Å; A92-L102 HydrophobicContact CB-CD2 3.82Å
93	E	86.9	Confident	86.5	Confident	159 Å²	159	68.2 Å²	68.2	74%	0.743	35%	0.351	S	S	*	.	H	α-helix	trans	-65	-44.6	175.6	-173	169.8	-164.4	0	0	111.5	N89 E90 L91 R95 N96	N89-E93 WeakPolarHBondContact O-CB 3.36Å; N89-E93 PolarHBondContact O-N 3.37Å; E90-E93 PolarHBondContact O-N 3.16Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 3.38Å; E93-R95 PolarHBondContact O-N 3.35Å; E93-N96 PolarHBondContact O-N 3.43Å
94	S	88.4	Confident	86.2	Confident	74 Å²	74	69.8 Å²	69.8	52%	0.517	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-32	177.3	77.2	0	0	0	0	113.1	E90 L91	E90-S94 WeakPolarHBondContact O-CB 3.11Å; E90-S94 PolarHBondContact O-N 2.75Å; L91-S94 PolarHBondContact O-N 3.17Å; L91-S94 PolarHBondContact O-OG 2.84Å
95	R	85.9	Confident	85.8	Confident	91 Å²	91	72.6 Å²	72.6	34%	0.343	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.3	176.6	-68	-173.7	-176.8	-155.4	-1.1	113.5	L91 A92 E93 M97 E105	L91-R95 HydrophobicContact CD1-CG 4.44Å; L91-R95 WeakPolarHBondContact O-CG 3.5Å; L91-R95 PolarHBondContact O-N 2.92Å; A92-R95 CarbonylContact O-C 3.39Å; A92-R95 PolarHBondContact O-N 3.35Å; E93-R95 PolarHBondContact O-N 3.35Å; R95-M97 VanDerWaalsContact C-N 3.26Å; R95-M97 HydrophobicContact CB-CE 3.93Å; R95-M97 HydrophobicContact CB-CG 3.75Å; R95-M97 HydrophobicContact CB-SD 4.08Å; R95-M97 PolarHBondContact O-N 3.14Å; R95-E105 IonicContact NH1-OE1 2.62Å; R95-E105 PolarHBondContact NH1-OE1 2.95Å; R95-E105 IonicContact NH1-OE2 2.98Å; R95-E105 PolarHBondContact NH1-OE2 2.98Å
96	N	90.2	Very high	85.4	Confident	157 Å²	157	72.2 Å²	72.2	84%	0.84	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	41.4	-178.5	-155.3	20.8	0	0	0	113.4	A92 E93	A92-N96 PolarHBondContact O-N 3.24Å; E93-N96 PolarHBondContact O-N 3.43Å
97	M	88.6	Confident	84.5	Confident	54 Å²	54	71.8 Å²	71.8	27%	0.266	37%	0.369	S	S	.	.	S	Bend	trans	-129	163.5	179.3	58.4	171.9	61.3	0	0	111.1	A92 R95 E101 L102 E105	A92-M97 CarbonylContact C-O 3.55Å; A92-M97 WeakPolarHBondContact CB-O 3.4Å; A92-M97 PolarHBondContact O-N 2.97Å; A92-M97 VanDerWaalsContact O-O 3.1Å; R95-M97 VanDerWaalsContact C-N 3.26Å; R95-M97 HydrophobicContact CB-CE 3.93Å; R95-M97 HydrophobicContact CB-CG 3.75Å; R95-M97 HydrophobicContact CB-SD 4.08Å; R95-M97 PolarHBondContact O-N 3.14Å; M97-E101 HydrophobicContact CB-CB 4.4Å; M97-L102 HydrophobicContact CG-CB 4.28Å; M97-L102 VanDerWaalsContact SD-CA 3.58Å; M97-L102 HydrophobicContact SD-CB 3.6Å; M97-L102 HydrophobicContact SD-CD1 3.8Å; M97-L102 HydrophobicContact SD-CG 4.27Å; M97-E105 VanDerWaalsContact CE-OE2 3.22Å; M97-E105 WeakPolarHBondContact CE-OE2 3.28Å
98	S	87.4	Confident	83.4	Confident	45 Å²	45	77 Å²	77	32%	0.315	40%	0.4	S	S	.	.			trans	-72.6	149.2	173.3	70.5	0	0	0	0	111	S100 E101 L102	S98-S100 PolarHBondContact O-N 2.58Å; S98-S100 VanDerWaalsContact O-N 3.11Å; S98-S100 PolarHBondContact OG-OG 2.94Å; S98-E101 VanDerWaalsContact CB-OE2 3.27Å; S98-E101 WeakPolarHBondContact CB-OE2 3.49Å; S98-E101 PolarHBondContact N-OE2 3.06Å; S98-E101 PolarHBondContact O-N 3.23Å; S98-E101 WeakPolarHBondContact OG-CB 3.47Å; S98-E101 VanDerWaalsContact OG-CG 3.22Å; S98-E101 WeakPolarHBondContact OG-CG 3.22Å; S98-E101 PolarHBondContact OG-N 3.29Å; S98-E101 VanDerWaalsContact OG-N 3.15Å; S98-E101 PolarHBondContact OG-OE2 3.21Å; S98-L102 PolarHBondContact O-N 2.95Å
99	R	88.1	Confident	81.6	Confident	114 Å²	114	80.9 Å²	80.9	43%	0.43	43%	0.427	S	S	.	.	H	α-helix	trans	-53	-34.6	173.4	-178.7	175.9	64	-140.2	2.6	112.4	L88 N89 A92 I103	L88-R99 HydrophobicContact CB-CG 4.26Å; N89-R99 WeakPolarHBondContact OD1-CD 3.48Å; N89-R99 PolarHBondContact OD1-NH1 3.47Å; A92-R99 HydrophobicContact CB-CB 4.43Å; R99-I103 HydrophobicContact CG-CD1 3.87Å; R99-I103 HydrophobicContact CG-CG1 4.42Å; R99-I103 WeakPolarHBondContact O-CB 3.49Å; R99-I103 WeakPolarHBondContact O-CD1 3.29Å; R99-I103 WeakPolarHBondContact O-CG1 3.42Å; R99-I103 PolarHBondContact O-N 2.99Å
100	S	85.4	Confident	79.5	Confident	81 Å²	81	80 Å²	80	57%	0.566	43%	0.426	S	S	*	.	H	α-helix	trans	-64.4	-46.7	175.5	25.7	0	0	0	0	112.8	S98 L102 I103 E104	S98-S100 PolarHBondContact O-N 2.58Å; S98-S100 VanDerWaalsContact O-N 3.11Å; S98-S100 PolarHBondContact OG-OG 2.94Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-I103 PolarHBondContact O-N 3.2Å; S100-E104 PolarHBondContact O-N 3.5Å
101	E	82.3	Confident	77.4	Confident	105 Å²	105	78.8 Å²	78.8	49%	0.491	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-39.8	177.1	-72.9	158.3	151.8	0	0	110.8	M97 S98 E104 E105	M97-E101 HydrophobicContact CB-CB 4.4Å; S98-E101 VanDerWaalsContact CB-OE2 3.27Å; S98-E101 WeakPolarHBondContact CB-OE2 3.49Å; S98-E101 PolarHBondContact N-OE2 3.06Å; S98-E101 PolarHBondContact O-N 3.23Å; S98-E101 WeakPolarHBondContact OG-CB 3.47Å; S98-E101 VanDerWaalsContact OG-CG 3.22Å; S98-E101 WeakPolarHBondContact OG-CG 3.22Å; S98-E101 PolarHBondContact OG-N 3.29Å; S98-E101 VanDerWaalsContact OG-N 3.15Å; S98-E101 PolarHBondContact OG-OE2 3.21Å; E101-E104 PolarHBondContact O-N 2.92Å; E101-E105 WeakPolarHBondContact O-CB 3.47Å; E101-E105 PolarHBondContact O-N 3.4Å
102	L	84	Confident	75.3	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-61.3	-48.2	174.7	179.5	62.1	0	0	0	111.7	L88 L91 A92 M97 S98 S100 E104 E105 I106	L88-L102 HydrophobicContact CD2-CD2 4.11Å; L88-L102 WeakPolarHBondContact O-CD2 3.4Å; L91-L102 HydrophobicContact CB-CD2 3.83Å; L91-L102 HydrophobicContact CD2-CD1 4.13Å; L91-L102 HydrophobicContact CD2-CD2 3.92Å; L91-L102 HydrophobicContact CG-CD1 4.23Å; L91-L102 HydrophobicContact CG-CD2 3.78Å; A92-L102 HydrophobicContact CB-CB 4.32Å; A92-L102 HydrophobicContact CB-CD2 3.82Å; M97-L102 HydrophobicContact CG-CB 4.28Å; M97-L102 VanDerWaalsContact SD-CA 3.58Å; M97-L102 HydrophobicContact SD-CB 3.6Å; M97-L102 HydrophobicContact SD-CD1 3.8Å; M97-L102 HydrophobicContact SD-CG 4.27Å; S98-L102 PolarHBondContact O-N 2.95Å; S100-L102 VanDerWaalsContact C-N 3.32Å; L102-E104 VanDerWaalsContact C-N 3.27Å; L102-E104 PolarHBondContact O-N 3.19Å; L102-E105 WeakPolarHBondContact O-CB 3.18Å; L102-E105 PolarHBondContact O-N 3.33Å; L102-I106 HydrophobicContact CD1-CD1 3.78Å; L102-I106 HydrophobicContact CD1-CG1 4.16Å; L102-I106 HydrophobicContact CD2-CD1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.62Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CD1 3.23Å; L102-I106 WeakPolarHBondContact O-CD1 3.4Å; L102-I106 WeakPolarHBondContact O-CG1 3.36Å; L102-I106 PolarHBondContact O-N 3.44Å
103	I	83.4	Confident	72.6	Confident	69 Å²	69	92 Å²	92	35%	0.354	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-41.5	177.9	-71.3	165.5	0	0	0	110.4	L88 R99 S100 I106 T107	L88-I103 HydrophobicContact CD1-CD1 4.46Å; L88-I103 HydrophobicContact CD1-CG1 4.48Å; L88-I103 HydrophobicContact CD2-CG1 4.3Å; R99-I103 HydrophobicContact CG-CD1 3.87Å; R99-I103 HydrophobicContact CG-CG1 4.42Å; R99-I103 WeakPolarHBondContact O-CB 3.49Å; R99-I103 WeakPolarHBondContact O-CD1 3.29Å; R99-I103 WeakPolarHBondContact O-CG1 3.42Å; R99-I103 PolarHBondContact O-N 2.99Å; S100-I103 PolarHBondContact O-N 3.2Å; I103-I106 PolarHBondContact O-N 3.47Å; I103-T107 WeakPolarHBondContact O-CB 3.21Å; I103-T107 PolarHBondContact O-N 2.89Å; I103-T107 PolarHBondContact O-OG1 3.2Å
104	E	79.3	Confident	70.2	Confident	130 Å²	130	89.7 Å²	89.7	61%	0.607	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-45.8	176.7	-172.1	169.9	-167.2	0	0	111.4	S100 E101 L102 I106 T107 V108	S100-E104 PolarHBondContact O-N 3.5Å; E101-E104 PolarHBondContact O-N 2.92Å; L102-E104 VanDerWaalsContact C-N 3.27Å; L102-E104 PolarHBondContact O-N 3.19Å; E104-I106 PolarHBondContact O-N 3.45Å; E104-T107 PolarHBondContact O-N 3.35Å; E104-V108 HydrophobicContact CG-CG2 4.31Å; E104-V108 WeakPolarHBondContact O-CB 3.46Å; E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.25Å
105	E	76.1	Confident	67.7	Low	79 Å²	79	93.3 Å²	93.3	37%	0.369	50%	0.497	S	S	.	.	H	α-helix	trans	-56.1	-49.5	175.3	-170.8	-167.1	167.5	0	0	111.2	R95 M97 E101 L102 T107 V108 C109	R95-E105 IonicContact NH1-OE1 2.62Å; R95-E105 PolarHBondContact NH1-OE1 2.95Å; R95-E105 IonicContact NH1-OE2 2.98Å; R95-E105 PolarHBondContact NH1-OE2 2.98Å; M97-E105 VanDerWaalsContact CE-OE2 3.22Å; M97-E105 WeakPolarHBondContact CE-OE2 3.28Å; E101-E105 WeakPolarHBondContact O-CB 3.47Å; E101-E105 PolarHBondContact O-N 3.4Å; L102-E105 WeakPolarHBondContact O-CB 3.18Å; L102-E105 PolarHBondContact O-N 3.33Å; E105-T107 PolarHBondContact O-N 2.94Å; E105-V108 PolarHBondContact O-N 3.06Å; E105-C109 WeakPolarHBondContact O-CB 3.41Å; E105-C109 PolarHBondContact O-N 3.44Å
106	I	77.6	Confident	65.3	Low	38 Å²	38	95.6 Å²	95.6	20%	0.195	51%	0.514	C	S	.	.	H	α-helix	trans	-64.1	-42.9	-179.9	-63.9	153.7	0	0	0	110.9	L88 L102 I103 E104 V108 C109 S110 F140	L88-I106 HydrophobicContact CD2-CD1 4.21Å; L102-I106 HydrophobicContact CD1-CD1 3.78Å; L102-I106 HydrophobicContact CD1-CG1 4.16Å; L102-I106 HydrophobicContact CD2-CD1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.62Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CD1 3.23Å; L102-I106 WeakPolarHBondContact O-CD1 3.4Å; L102-I106 WeakPolarHBondContact O-CG1 3.36Å; L102-I106 PolarHBondContact O-N 3.44Å; I103-I106 PolarHBondContact O-N 3.47Å; E104-I106 PolarHBondContact O-N 3.45Å; I106-V108 VanDerWaalsContact C-N 3.34Å; I106-V108 PolarHBondContact O-N 3.41Å; I106-C109 PolarHBondContact O-N 3.37Å; I106-S110 WeakPolarHBondContact O-CB 3.48Å; I106-S110 PolarHBondContact O-N 2.92Å; I106-S110 VanDerWaalsContact O-N 3.08Å; I106-F140 HydrophobicContact CD1-CE1 3.37Å; I106-F140 HydrophobicContact CD1-CZ 3.23Å; I106-F140 HydrophobicContact CG1-CE1 3.87Å; I106-F140 HydrophobicContact CG1-CZ 4.23Å; I106-F140 HydrophobicContact CG2-CE1 4.13Å
107	T	69.4	Low	62.8	Low	102 Å²	102	92.8 Å²	92.8	63%	0.626	50%	0.504	S	S	*	.	H	α-helix	trans	-68.7	-35.1	-177.9	-48.2	0	0	0	0	111.5	I103 E104 E105	I103-T107 WeakPolarHBondContact O-CB 3.21Å; I103-T107 PolarHBondContact O-N 2.89Å; I103-T107 PolarHBondContact O-OG1 3.2Å; E104-T107 PolarHBondContact O-N 3.35Å; E105-T107 PolarHBondContact O-N 2.94Å
108	V	64.6	Low	60.8	Low	118 Å²	118	97.9 Å²	97.9	72%	0.715	53%	0.527	S	S	*	.	H	α-helix	trans	-80.9	-26.8	179.1	174.9	0	0	0	0	112	E104 E105 I106	E104-V108 HydrophobicContact CG-CG2 4.31Å; E104-V108 WeakPolarHBondContact O-CB 3.46Å; E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.25Å; E105-V108 PolarHBondContact O-N 3.06Å; I106-V108 VanDerWaalsContact C-N 3.34Å; I106-V108 PolarHBondContact O-N 3.41Å
109	C	47.3	Very low	58.5	Low	96 Å²	96	102.6 Å²	102.6	65%	0.649	55%	0.549	S	S	*	.	H	α-helix	trans	-98.6	-4.4	-175.2	-148.1	0	0	0	0	114.4	E105 I106	E105-C109 WeakPolarHBondContact O-CB 3.41Å; E105-C109 PolarHBondContact O-N 3.44Å; I106-C109 PolarHBondContact O-N 3.37Å
110	S	43.6	Very low	55.9	Low	45 Å²	45	100.1 Å²	100.1	32%	0.315	55%	0.549	S	S	.	.	S	Bend	trans	-68.5	139.8	170.8	-147.2	0	0	0	0	110.7	I106	I106-S110 WeakPolarHBondContact O-CB 3.48Å; I106-S110 PolarHBondContact O-N 2.92Å; I106-S110 VanDerWaalsContact O-N 3.08Å
111	P	44.9	Very low	54	Low	61 Å²	61	103.8 Å²	103.8	40%	0.396	56%	0.561	S	S	.	*	S	Bend		-107.8	62.3	-82.4	38.6	-33	0	0	0	113.1	R113 L114	P111-R113 PolarHBondContact O-N 3.17Å; P111-L114 HydrophobicContact CB-CD1 4.42Å
112	A	38.5	Very low	51.8	Low	89 Å²	89	108 Å²	108	74%	0.736	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	20	171.5	0	0	0	0	0	114.5
113	R	33	Very low	49.7	Very low	224 Å²	224	111.4 Å²	111.4	85%	0.845	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.5	38.3	-175.3	-152.3	177.6	-81.5	-125.8	-2.5	114.7	P111 L115	P111-R113 PolarHBondContact O-N 3.17Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.25Å
114	L	37.1	Very low	47.9	Very low	111 Å²	111	118.6 Å²	118.6	58%	0.581	63%	0.625	S	S	*	*			trans	-91.7	61.5	159.8	-77.2	167	0	0	0	110	P111	P111-L114 HydrophobicContact CB-CD1 4.42Å
115	L	36.2	Very low	45.8	Very low	151 Å²	151	120.1 Å²	120.1	79%	0.791	64%	0.638	S	S	*	*			trans	-136.6	73.7	161.9	-72.5	175.5	0	0	0	106.8	R113 P117	R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.25Å; L115-P117 WeakPolarHBondContact O-CD 3.47Å
116	I	34.9	Very low	43.9	Very low	139 Å²	139	121.7 Å²	121.7	71%	0.713	66%	0.656	S	S	*	*			trans	-93.1	111.5	164.1	-59.1	179.1	0	0	0	105.8	Q118	I116-Q118 PolarHBondContact O-N 3.15Å
117	P	36.6	Very low	42.2	Very low	97 Å²	97	125.4 Å²	125.4	63%	0.63	68%	0.676	S	S	*	*			trans	-58.3	136.6	175.5	-21.4	32.6	0	0	0	110.4	L115 D119	L115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-D119 PolarHBondContact O-N 3.16Å
118	Q	47.9	Very low	41	Very low	161 Å²	161	126.5 Å²	126.5	75%	0.752	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-1.7	-174.3	-69.1	-176.8	-10.9	0	0	114.6	I116	I116-Q118 PolarHBondContact O-N 3.15Å
119	D	38.2	Very low	39.9	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	2.1	-173.7	-53.2	-10.2	0	0	0	113.8	P117 L121	P117-D119 PolarHBondContact O-N 3.16Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 3.24Å
120	C	34	Very low	39.8	Very low	63 Å²	63	129.5 Å²	129.5	43%	0.426	67%	0.672	S	S	.	*			trans	-80.9	76.6	178.4	-161.6	0	0	0	0	112.1	F122	C120-F122 PolarHBondContact O-N 3.43Å
121	L	44.2	Very low	39.7	Very low	157 Å²	157	130.2 Å²	130.2	82%	0.822	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	15.4	173.9	-93.5	145.5	0	0	0	115	D119	D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 3.24Å
122	F	38.1	Very low	39.6	Very low	194 Å²	194	134.4 Å²	134.4	85%	0.851	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	11.2	-179.2	-82.5	-74.2	0	0	0	116	C120	C120-F122 PolarHBondContact O-N 3.43Å
123	C	38.8	Very low	39.6	Very low	72 Å²	72	139 Å²	139	49%	0.486	70%	0.702	S	S	.	*	S	Bend	trans	-116.2	-1.8	179.5	-80.6	0	0	0	0	117	D125	C123-D125 VanDerWaalsContact C-N 3.26Å; C123-D125 PolarHBondContact O-N 3.43Å
124	Y	44.9	Very low	39.9	Very low	219 Å²	219	134.1 Å²	134.1	86%	0.859	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-13.9	-179.1	-83.6	-76	0	0	0	115.3
125	D	36.8	Very low	40.4	Very low	163 Å²	163	134.1 Å²	134.1	87%	0.872	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-1	-179.8	-73.5	-26.1	0	0	0	115.2	C123	C123-D125 VanDerWaalsContact C-N 3.26Å; C123-D125 PolarHBondContact O-N 3.43Å
126	C	35.1	Very low	40.9	Very low	111 Å²	111	130 Å²	130	75%	0.75	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-2.1	-178.5	-83.7	0	0	0	0	115.4
127	L	42.2	Very low	41.1	Very low	117 Å²	117	129.1 Å²	129.1	61%	0.613	66%	0.662	S	S	*	*	S	Bend	trans	-126.8	100.6	178.5	-73.6	163.9	0	0	0	111
128	Y	45.2	Very low	41.4	Very low	125 Å²	125	129.7 Å²	129.7	49%	0.49	66%	0.66	S	S	.	*			trans	75.7	78.9	155.4	-53.9	-70	0	0	0	119.9	W130	Y128-W130 AromaticContact CD1-CE2 3.6Å; Y128-W130 AromaticContact CD1-CZ2 3.68Å; Y128-W130 HydrophobicContact CD1-CZ2 3.68Å; Y128-W130 AromaticContact CD1-NE1 3.39Å; Y128-W130 AromaticContact CE1-CZ2 3.82Å; Y128-W130 HydrophobicContact CE1-CZ2 3.82Å; Y128-W130 PolarHBondContact O-N 2.79Å
129	P	41.1	Very low	41.2	Very low	133 Å²	133	125.2 Å²	125.2	86%	0.864	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	6.1	165.4	-18.6	31.9	0	0	0	116.2
130	W	44.6	Very low	41.4	Very low	144 Å²	144	120.4 Å²	120.4	55%	0.545	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.3	3.5	-175.5	57.1	-96.3	0	0	0	115.4	Y128 I132	Y128-W130 AromaticContact CD1-CE2 3.6Å; Y128-W130 AromaticContact CD1-CZ2 3.68Å; Y128-W130 HydrophobicContact CD1-CZ2 3.68Å; Y128-W130 AromaticContact CD1-NE1 3.39Å; Y128-W130 AromaticContact CE1-CZ2 3.82Å; Y128-W130 HydrophobicContact CE1-CZ2 3.82Å; Y128-W130 PolarHBondContact O-N 2.79Å; W130-I132 PolarHBondContact O-N 2.67Å; W130-I132 VanDerWaalsContact O-N 3.14Å
131	A	40.5	Very low	41.6	Very low	60 Å²	60	120.5 Å²	120.5	50%	0.496	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	0.9	-178	0	0	0	0	0	115.6
132	I	43.5	Very low	41.4	Very low	149 Å²	149	118.6 Å²	118.6	76%	0.764	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-7.7	-172.1	-59.3	-178.9	0	0	0	114	W130	W130-I132 PolarHBondContact O-N 2.67Å; W130-I132 VanDerWaalsContact O-N 3.14Å
133	F	38.6	Very low	41.5	Very low	186 Å²	186	113.4 Å²	113.4	82%	0.816	58%	0.576	S	S	*	*	S	Bend	trans	-144.6	44	-172.4	-100	-81.7	0	0	0	116.6
134	H	38.7	Very low	41.7	Very low	120 Å²	120	113.9 Å²	113.9	56%	0.556	57%	0.573	S	S	*	*			trans	-130.4	114.4	164.5	-120	-93.7	0	0	0	112.8	E90 H136 F137	E90-H134 IonicContact OE2-CE1 3.96Å; H134-H136 PolarHBondContact O-N 3.45Å; H134-F137 PolarHBondContact O-N 2.79Å
135	P	48.3	Very low	41.6	Very low	111 Å²	111	106.4 Å²	106.4	72%	0.721	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	0.7	-178	25.4	-32.1	0	0	0	114.7
136	H	45.8	Very low	41.9	Very low	64 Å²	64	105.2 Å²	105.2	30%	0.296	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.5	176	-82.3	-85.9	0	0	0	114.5	H134 N138 K139	H134-H136 PolarHBondContact O-N 3.45Å; H136-N138 VanDerWaalsContact C-N 3.26Å; H136-N138 PolarHBondContact O-N 3.08Å; H136-K139 PolarHBondContact O-N 2.96Å
137	F	40	Very low	42.7	Very low	121 Å²	121	105.7 Å²	105.7	53%	0.531	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.3	178.8	-164.9	-99.1	0	0	0	112.3	H134 K139 F140	H134-F137 PolarHBondContact O-N 2.79Å; F137-K139 VanDerWaalsContact C-N 3.26Å; F137-K139 PolarHBondContact O-N 3.47Å; F137-F140 PolarHBondContact O-N 3.06Å; F137-F140 VanDerWaalsContact O-N 3.13Å
138	N	43.7	Very low	43.4	Very low	109 Å²	109	100.7 Å²	100.7	58%	0.583	51%	0.513	S	S	*	.	H	α-helix	trans	-63.4	-25.4	-177.2	-69.3	1.4	0	0	0	114.2	H136 E142	H136-N138 VanDerWaalsContact C-N 3.26Å; H136-N138 PolarHBondContact O-N 3.08Å; N138-E142 PolarHBondContact O-N 2.98Å
139	K	43.6	Very low	45.2	Very low	67 Å²	67	96.8 Å²	96.8	29%	0.291	50%	0.501	S	S	.	.	H	α-helix	trans	-80.2	-19.6	178.4	-78.5	-176	177.8	165.8	0	113.8	E83 H136 F137 V143	E83-K139 IonicContact OE2-NZ 2.57Å; E83-K139 PolarHBondContact OE2-NZ 3.22Å; H136-K139 PolarHBondContact O-N 2.96Å; F137-K139 VanDerWaalsContact C-N 3.26Å; F137-K139 PolarHBondContact O-N 3.47Å; K139-V143 PolarHBondContact O-N 3.4Å
140	F	41.1	Very low	47.6	Very low	44 Å²	44	90.5 Å²	90.5	19%	0.193	46%	0.46	C	S	.	.	H	α-helix	trans	-75	-37.8	176.5	-126.1	-90.1	0	0	0	111.5	L88 L91 I106 F137 E142 V143 I144	L88-F140 HydrophobicContact CD2-CE2 3.7Å; L88-F140 HydrophobicContact CD2-CZ 3.59Å; L88-F140 HydrophobicContact CG-CE2 4.26Å; L91-F140 HydrophobicContact CD2-CD2 4.2Å; L91-F140 HydrophobicContact CD2-CE1 4.27Å; L91-F140 HydrophobicContact CD2-CE2 3.74Å; L91-F140 HydrophobicContact CD2-CZ 3.77Å; I106-F140 HydrophobicContact CD1-CE1 3.37Å; I106-F140 HydrophobicContact CD1-CZ 3.23Å; I106-F140 HydrophobicContact CG1-CE1 3.87Å; I106-F140 HydrophobicContact CG1-CZ 4.23Å; I106-F140 HydrophobicContact CG2-CE1 4.13Å; F137-F140 PolarHBondContact O-N 3.06Å; F137-F140 VanDerWaalsContact O-N 3.13Å; F140-E142 VanDerWaalsContact C-N 3.26Å; F140-E142 PolarHBondContact O-N 2.92Å; F140-V143 PolarHBondContact O-N 3.32Å; F140-V143 VanDerWaalsContact O-N 3.15Å; F140-I144 HydrophobicContact CD1-CD1 4.49Å; F140-I144 PolarHBondContact O-N 3.02Å
141	Q	38.9	Very low	50	Low	64 Å²	64	83.7 Å²	83.7	30%	0.299	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-37.7	171.9	-144.1	158.9	-13	0	0	110.8	V143 S145 A322	Q141-V143 VanDerWaalsContact C-N 3.33Å; Q141-V143 PolarHBondContact O-N 2.8Å; Q141-S145 WeakPolarHBondContact O-CB 3.41Å; Q141-S145 PolarHBondContact O-N 3.1Å; Q141-A322 PolarHBondContact NE2-O 3.32Å; Q141-A322 PolarHBondContact NE2-OXT 2.69Å
142	E	39.1	Very low	52.8	Low	118 Å²	118	80.8 Å²	80.8	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-62.8	-31.3	174	-72	175	179.1	0	0	113.9	N138 F140 L146	N138-E142 PolarHBondContact O-N 2.98Å; F140-E142 VanDerWaalsContact C-N 3.26Å; F140-E142 PolarHBondContact O-N 2.92Å; E142-L146 WeakPolarHBondContact O-CG 3.45Å; E142-L146 PolarHBondContact O-N 3.06Å
143	V	41.8	Very low	55.4	Low	85 Å²	85	73.7 Å²	73.7	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-84.6	-33.6	-178.7	179.9	0	0	0	0	112.6	K139 F140 Q141 S145 L146	K139-V143 PolarHBondContact O-N 3.4Å; F140-V143 PolarHBondContact O-N 3.32Å; F140-V143 VanDerWaalsContact O-N 3.15Å; Q141-V143 VanDerWaalsContact C-N 3.33Å; Q141-V143 PolarHBondContact O-N 2.8Å; V143-S145 VanDerWaalsContact C-N 3.33Å; V143-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 2.95Å
144	I	42.6	Very low	58.3	Low	82 Å²	82	65.3 Å²	65.3	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-71.4	-34.1	171.4	-66.5	171.6	0	0	0	110	F140 L146	F140-I144 HydrophobicContact CD1-CD1 4.49Å; F140-I144 PolarHBondContact O-N 3.02Å; I144-L146 PolarHBondContact O-N 3.05Å
145	S	41.5	Very low	61.1	Low	61 Å²	61	59.6 Å²	59.6	43%	0.427	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.2	172	179	0	0	0	0	114.4	Q141 V143 M147	Q141-S145 WeakPolarHBondContact O-CB 3.41Å; Q141-S145 PolarHBondContact O-N 3.1Å; V143-S145 VanDerWaalsContact C-N 3.33Å; S145-M147 VanDerWaalsContact C-N 3.3Å; S145-M147 PolarHBondContact O-N 3.19Å
146	L	43.8	Very low	63.4	Low	138 Å²	138	55.5 Å²	55.5	72%	0.723	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.1	-177.4	-88.4	166.7	0	0	0	114.2	E142 V143 I144	E142-L146 WeakPolarHBondContact O-CG 3.45Å; E142-L146 PolarHBondContact O-N 3.06Å; V143-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 2.95Å; I144-L146 PolarHBondContact O-N 3.05Å
147	M	52.9	Low	65.6	Low	122 Å²	122	56.4 Å²	56.4	60%	0.601	29%	0.291	S	S	*	.	S	Bend	trans	-93.4	116.6	167.6	-64.7	-170.9	72.5	0	0	107.5	S145 I149	S145-M147 VanDerWaalsContact C-N 3.3Å; S145-M147 PolarHBondContact O-N 3.19Å; M147-I149 PolarHBondContact O-N 3.35Å; M147-I149 VanDerWaalsContact O-N 3.16Å
148	A	56.5	Low	68	Low	12 Å²	12	55.1 Å²	55.1	10%	0.099	29%	0.293	C	S	.	.			trans	-53.4	126	172.9	0	0	0	0	0	108.2	T150 V176 D178 Y193	A148-T150 PolarHBondContact O-N 2.86Å; A148-V176 CarbonylContact C-O 3.53Å; A148-D178 HydrophobicContact CB-CB 4.2Å; A148-D178 VanDerWaalsContact CB-CG 3.46Å; A148-D178 VanDerWaalsContact CB-OD2 3.23Å; A148-D178 WeakPolarHBondContact CB-OD2 3.43Å; A148-Y193 HydrophobicContact CB-CE1 4.26Å; A148-Y193 WeakPolarHBondContact O-CD1 3.38Å; A148-Y193 VanDerWaalsContact O-CE1 3.31Å; A148-Y193 WeakPolarHBondContact O-CE1 3.48Å
149	I	81.7	Confident	70.5	Confident	43 Å²	43	50.9 Å²	50.9	22%	0.221	28%	0.276	C	S	.	.	S	Bend	trans	-70.8	-29.3	-173.6	-60.6	155.3	0	0	0	109.7	M147 V176 I195 I319 L320	M147-I149 PolarHBondContact O-N 3.35Å; M147-I149 VanDerWaalsContact O-N 3.16Å; I149-V176 PolarHBondContact N-O 3.11Å; I149-I195 HydrophobicContact CG2-CD1 3.89Å; I149-I195 HydrophobicContact CG2-CG1 4.42Å; I149-I319 HydrophobicContact CD1-CG2 3.66Å; I149-I319 HydrophobicContact CG1-CG2 4.31Å; I149-I319 HydrophobicContact CG2-CG2 4.16Å; I149-L320 HydrophobicContact CD1-CD2 3.64Å; I149-L320 HydrophobicContact CD1-CG 4.42Å
150	T	91.6	Very high	73.1	Confident	1 Å²	1	50 Å²	50	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	-173.2	-56.2	0	0	0	0	112	A148 I152 V176 A177 D178 I195 L197	A148-T150 PolarHBondContact O-N 2.86Å; T150-I152 HydrophobicContact CG2-CG1 4.44Å; T150-V176 PolarHBondContact N-O 2.92Å; T150-A177 VanDerWaalsContact O-CA 3.3Å; T150-A177 WeakPolarHBondContact O-CA 3.49Å; T150-D178 PolarHBondContact O-N 3Å; T150-I195 WeakPolarHBondContact CA-O 3.46Å; T150-I195 HydrophobicContact CG2-CB 4.37Å; T150-I195 HydrophobicContact CG2-CG2 3.88Å; T150-L197 HydrophobicContact CG2-CD1 4Å; T150-L197 HydrophobicContact CG2-CG 3.74Å
151	G	96.4	Very high	75.7	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.6	170.7	0	0	0	0	0	111.2	Y193 I195 L196 L197	G151-Y193 VanDerWaalsContact N-CD1 3.27Å; G151-I195 PolarHBondContact N-O 2.85Å; G151-L196 CarbonylContact O-C 3.58Å; G151-L196 WeakPolarHBondContact O-CA 3.42Å; G151-L197 PolarHBondContact O-N 2.94Å
152	I	98.4	Very high	78.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.5	174.3	-49.2	-175.7	0	0	0	108.5	T150 A165 I168 Q169 L172 A177 D178 V179 H180 L197 F232	T150-I152 HydrophobicContact CG2-CG1 4.44Å; I152-A165 HydrophobicContact CG2-CB 3.91Å; I152-I168 HydrophobicContact CD1-CB 4.3Å; I152-I168 HydrophobicContact CD1-CG2 3.72Å; I152-Q169 HydrophobicContact CD1-CB 4.09Å; I152-L172 HydrophobicContact CD1-CD1 4.46Å; I152-A177 HydrophobicContact CD1-CB 3.81Å; I152-A177 HydrophobicContact CG1-CB 4.12Å; I152-D178 WeakPolarHBondContact CA-O 3.22Å; I152-D178 WeakPolarHBondContact CB-O 3.28Å; I152-D178 PolarHBondContact N-O 3.49Å; I152-V179 HydrophobicContact CB-CG2 4.08Å; I152-V179 HydrophobicContact CD1-CG2 4.07Å; I152-V179 HydrophobicContact CG1-CG2 4.47Å; I152-V179 HydrophobicContact CG2-CG2 4.48Å; I152-V179 CarbonylContact O-C 3.54Å; I152-V179 WeakPolarHBondContact O-CA 3.41Å; I152-H180 PolarHBondContact O-N 3.47Å; I152-L197 CarbonylContact C-O 3.51Å; I152-L197 WeakPolarHBondContact CA-O 3.5Å; I152-L197 HydrophobicContact CB-CB 4.4Å; I152-L197 HydrophobicContact CD1-CD1 4.13Å; I152-L197 HydrophobicContact CG1-CB 4.14Å; I152-L197 HydrophobicContact CG1-CD1 4Å; I152-L197 HydrophobicContact CG1-CG 4.34Å; I152-L197 HydrophobicContact CG2-CB 4.22Å; I152-F232 HydrophobicContact CG2-CE1 4.02Å; I152-F232 HydrophobicContact CG2-CZ 4.03Å
153	F	98.7	Very high	81.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.7	178.5	-66.8	-94.2	0	0	0	109.7	H180 I182 S185 D189 L190 Y193 L196 L197 L198 G199	F153-H180 WeakPolarHBondContact CA-O 3.13Å; F153-H180 HydrophobicContact CD1-CB 3.46Å; F153-H180 VanDerWaalsContact CD1-CB 3.46Å; F153-H180 HydrophobicContact CE1-CB 3.44Å; F153-H180 VanDerWaalsContact CE1-CB 3.44Å; F153-H180 AromaticContact CE1-CD2 3.77Å; F153-H180 AromaticContact CE1-CG 3.69Å; F153-H180 HydrophobicContact CG-CB 4.19Å; F153-H180 HydrophobicContact CZ-CB 4.17Å; F153-H180 AromaticContact CZ-CD2 3.6Å; F153-I182 HydrophobicContact CB-CD1 4.25Å; F153-I182 HydrophobicContact CD1-CD1 4.23Å; F153-S185 WeakPolarHBondContact CD1-OG 3.1Å; F153-D189 HydrophobicContact CE1-CB 4.19Å; F153-D189 HydrophobicContact CZ-CB 4.32Å; F153-L190 HydrophobicContact CD1-CD1 3.58Å; F153-L190 HydrophobicContact CD1-CG 4.09Å; F153-L190 HydrophobicContact CD2-CD1 4.45Å; F153-L190 HydrophobicContact CD2-CG 4.06Å; F153-L190 HydrophobicContact CE1-CD1 3.37Å; F153-L190 HydrophobicContact CE1-CG 3.94Å; F153-L190 HydrophobicContact CE2-CD1 4.27Å; F153-L190 HydrophobicContact CE2-CG 3.89Å; F153-L190 HydrophobicContact CG-CD1 4.14Å; F153-L190 HydrophobicContact CG-CG 4.16Å; F153-L190 HydrophobicContact CZ-CB 4.42Å; F153-L190 HydrophobicContact CZ-CD1 3.74Å; F153-L190 HydrophobicContact CZ-CG 3.84Å; F153-Y193 AromaticContact CE2-CD2 3.95Å; F153-Y193 HydrophobicContact CE2-CD2 3.95Å; F153-Y193 HydrophobicContact CE2-CE2 4.18Å; F153-Y193 HydrophobicContact CZ-CD2 4.07Å; F153-Y193 AromaticContact CZ-CE2 3.97Å; F153-Y193 HydrophobicContact CZ-CE2 3.97Å; F153-L196 HydrophobicContact CD2-CD2 3.92Å; F153-L196 HydrophobicContact CE2-CD2 3.62Å; F153-L197 PolarHBondContact N-O 2.91Å; F153-L198 HydrophobicContact CB-CD2 3.97Å; F153-L198 HydrophobicContact CD2-CD2 4.25Å; F153-L198 HydrophobicContact CG-CD2 4.47Å; F153-L198 CarbonylContact O-C 3.44Å; F153-L198 WeakPolarHBondContact O-CA 3.31Å; F153-G199 PolarHBondContact O-N 3.47Å
154	F	98.6	Very high	84.1	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.044	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.1	178.2	72.1	-87.4	0	0	0	112.5	T161 E162 A165 V179 H180 D181 I182 G199 F232	F154-T161 HydrophobicContact CB-CG2 4.21Å; F154-E162 HydrophobicContact CD2-CB 3.84Å; F154-E162 HydrophobicContact CD2-CG 4.41Å; F154-E162 HydrophobicContact CE1-CG 4.27Å; F154-E162 HydrophobicContact CE2-CB 3.37Å; F154-E162 HydrophobicContact CE2-CG 3.58Å; F154-E162 HydrophobicContact CZ-CB 3.85Å; F154-E162 HydrophobicContact CZ-CG 3.49Å; F154-E162 VanDerWaalsContact CZ-CG 3.49Å; F154-A165 HydrophobicContact CB-CB 4.14Å; F154-A165 HydrophobicContact CD1-CB 3.66Å; F154-A165 HydrophobicContact CE1-CB 4.41Å; F154-A165 HydrophobicContact CG-CB 4Å; F154-V179 HydrophobicContact CD1-CG1 3.87Å; F154-V179 HydrophobicContact CE1-CG1 3.49Å; F154-V179 VanDerWaalsContact CE1-CG1 3.49Å; F154-H180 WeakPolarHBondContact CD1-O 3.38Å; F154-H180 WeakPolarHBondContact CE1-O 3.38Å; F154-H180 PolarHBondContact N-O 3.33Å; F154-D181 HydrophobicContact CZ-CB 4.11Å; F154-I182 WeakPolarHBondContact O-CB 3.39Å; F154-I182 WeakPolarHBondContact O-CG2 3.46Å; F154-I182 PolarHBondContact O-N 2.98Å; F154-G199 VanDerWaalsContact CA-O 3.29Å; F154-G199 WeakPolarHBondContact CA-O 3.44Å; F154-F232 HydrophobicContact CB-CZ 4.41Å
155	G	97.6	Very high	86.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.			trans	-119.4	142.4	165.4	0	0	0	0	0	109.7	T161 G199 P201 W212	G155-T161 WeakPolarHBondContact O-CB 3.32Å; G155-G199 PolarHBondContact N-O 3.42Å; G155-G199 VanDerWaalsContact N-O 3.1Å; G155-P201 WeakPolarHBondContact O-CD 3.42Å; G155-P201 WeakPolarHBondContact O-CG 3.38Å; G155-W212 VanDerWaalsContact N-NE1 3.14Å
156	S	96.8	Very high	89.5	Confident	24 Å²	24	40 Å²	40	17%	0.168	22%	0.215	C	C	.	.			trans	-166.1	120.8	-171.7	171.5	0	0	0	0	113.1	G159	S156-G159 WeakPolarHBondContact OG-CA 3.32Å; S156-G159 PolarHBondContact OG-N 3.17Å
157	D	91.7	Very high	92.1	Very high	84 Å²	84	35.4 Å²	35.4	45%	0.449	19%	0.19	S	C	.	.	S	Bend	trans	-91.5	-34.5	173.5	-55.7	-31.9	0	0	0	113.2	W203 Q209	D157-W203 HydrophobicContact CB-CH2 4.05Å; D157-W203 HydrophobicContact CB-CZ2 3.61Å; D157-W203 WeakPolarHBondContact OD2-CZ2 3.38Å; D157-Q209 PolarHBondContact OD1-NE2 2.96Å
158	T	91.8	Very high	94.2	Very high	93 Å²	93	29.6 Å²	29.6	57%	0.571	16%	0.162	S	C	*	.	S	Bend	trans	-100.5	-8.5	-174.6	58.9	0	0	0	0	114.2	W203	T158-W203 HydrophobicContact CG2-CH2 3.86Å; T158-W203 HydrophobicContact CG2-CZ2 4.19Å
159	G	95.7	Very high	96.1	Very high	21 Å²	21	30.6 Å²	30.6	22%	0.216	16%	0.164	C	C	.	.	S	Bend	trans	93.7	-7.1	179.8	0	0	0	0	0	114.8	S156 N163	S156-G159 WeakPolarHBondContact OG-CA 3.32Å; S156-G159 PolarHBondContact OG-N 3.17Å; G159-N163 WeakPolarHBondContact O-CB 3.23Å; G159-N163 PolarHBondContact O-N 3.18Å
160	N	96.9	Very high	96.8	Very high	48 Å²	48	37 Å²	37	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-63.4	-57	-177.1	-68.8	-10.5	0	0	0	111.5	E162 N163 I164 E292	N160-E162 VanDerWaalsContact C-N 3.3Å; N160-E162 PolarHBondContact O-N 3.43Å; N160-N163 WeakPolarHBondContact O-CB 3.3Å; N160-N163 PolarHBondContact O-N 2.85Å; N160-I164 WeakPolarHBondContact O-CG1 3.31Å; N160-I164 PolarHBondContact O-N 2.88Å; N160-E292 HydrophobicContact CB-CG 4.11Å
161	T	97.7	Very high	97	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-35.9	179.7	-42.6	0	0	0	0	112.2	F154 G155 N163 I164 A165 P201 F232	F154-T161 HydrophobicContact CB-CG2 4.21Å; G155-T161 WeakPolarHBondContact O-CB 3.32Å; T161-N163 VanDerWaalsContact C-N 3.32Å; T161-N163 PolarHBondContact O-N 3.39Å; T161-I164 PolarHBondContact O-N 3.48Å; T161-A165 PolarHBondContact O-N 2.94Å; T161-P201 WeakPolarHBondContact OG1-CB 3.13Å; T161-P201 WeakPolarHBondContact OG1-CG 3.49Å; T161-F232 HydrophobicContact CG2-CD2 4.32Å; T161-F232 HydrophobicContact CG2-CE2 3.82Å
162	E	98.4	Very high	96.8	Very high	67 Å²	67	42 Å²	42	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-59.8	-43.4	172.5	178.9	177.8	-173.1	0	0	111.5	F154 N160 I164 A165 K166	F154-E162 HydrophobicContact CD2-CB 3.84Å; F154-E162 HydrophobicContact CD2-CG 4.41Å; F154-E162 HydrophobicContact CE1-CG 4.27Å; F154-E162 HydrophobicContact CE2-CB 3.37Å; F154-E162 HydrophobicContact CE2-CG 3.58Å; F154-E162 HydrophobicContact CZ-CB 3.85Å; F154-E162 HydrophobicContact CZ-CG 3.49Å; F154-E162 VanDerWaalsContact CZ-CG 3.49Å; N160-E162 VanDerWaalsContact C-N 3.3Å; N160-E162 PolarHBondContact O-N 3.43Å; E162-I164 VanDerWaalsContact C-N 3.35Å; E162-A165 PolarHBondContact O-N 2.97Å; E162-K166 VanDerWaalsContact CD-NZ 3.26Å; E162-K166 HydrophobicContact CG-CD 4.26Å; E162-K166 WeakPolarHBondContact O-CG 3.31Å; E162-K166 PolarHBondContact O-N 3.14Å; E162-K166 WeakPolarHBondContact OE1-CE 3.33Å; E162-K166 IonicContact OE1-NZ 3.26Å; E162-K166 PolarHBondContact OE1-NZ 3.12Å
163	N	98.1	Very high	96.3	Very high	78 Å²	78	43.1 Å²	43.1	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-42.1	177.4	-173.9	51.3	0	0	0	111.2	G159 N160 T161 K166 M167	G159-N163 WeakPolarHBondContact O-CB 3.23Å; G159-N163 PolarHBondContact O-N 3.18Å; N160-N163 WeakPolarHBondContact O-CB 3.3Å; N160-N163 PolarHBondContact O-N 2.85Å; T161-N163 VanDerWaalsContact C-N 3.32Å; T161-N163 PolarHBondContact O-N 3.39Å; N163-K166 PolarHBondContact O-N 3.32Å; N163-M167 VanDerWaalsContact O-CG 3.29Å; N163-M167 WeakPolarHBondContact O-CG 3.45Å; N163-M167 PolarHBondContact O-N 3.36Å
164	I	98.6	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-46.1	174.5	-56.7	-47.7	0	0	0	111.3	N160 T161 E162 K166 M167 I168 F232 I290 T299 V303	N160-I164 WeakPolarHBondContact O-CG1 3.31Å; N160-I164 PolarHBondContact O-N 2.88Å; T161-I164 PolarHBondContact O-N 3.48Å; E162-I164 VanDerWaalsContact C-N 3.35Å; I164-K166 VanDerWaalsContact C-N 3.3Å; I164-K166 PolarHBondContact O-N 3.39Å; I164-M167 HydrophobicContact CD1-SD 4.15Å; I164-M167 WeakPolarHBondContact O-CB 3.44Å; I164-M167 PolarHBondContact O-N 3.24Å; I164-M167 VanDerWaalsContact O-N 3.07Å; I164-I168 HydrophobicContact CG2-CD1 3.87Å; I164-I168 HydrophobicContact CG2-CG1 4.42Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 2.66Å; I164-F232 HydrophobicContact CB-CD2 4.24Å; I164-F232 HydrophobicContact CB-CE2 4.18Å; I164-F232 HydrophobicContact CG2-CD2 3.64Å; I164-F232 HydrophobicContact CG2-CE2 3.96Å; I164-I290 HydrophobicContact CD1-CG1 4.37Å; I164-I290 HydrophobicContact CD1-CG2 4.03Å; I164-I290 HydrophobicContact CG1-CG1 4.36Å; I164-I290 HydrophobicContact CG1-CG2 4.28Å; I164-I290 HydrophobicContact CG2-CG1 4.43Å; I164-T299 HydrophobicContact CD1-CG2 3.29Å; I164-V303 HydrophobicContact CD1-CG2 4.35Å; I164-V303 HydrophobicContact CG2-CG2 4.07Å
165	A	98.6	Very high	95	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-43.1	176	0	0	0	0	0	112.1	I152 F154 T161 E162 I168 Q169 V179 F232	I152-A165 HydrophobicContact CG2-CB 3.91Å; F154-A165 HydrophobicContact CB-CB 4.14Å; F154-A165 HydrophobicContact CD1-CB 3.66Å; F154-A165 HydrophobicContact CE1-CB 4.41Å; F154-A165 HydrophobicContact CG-CB 4Å; T161-A165 PolarHBondContact O-N 2.94Å; E162-A165 PolarHBondContact O-N 2.97Å; A165-I168 PolarHBondContact O-N 2.96Å; A165-Q169 PolarHBondContact O-N 3.41Å; A165-V179 HydrophobicContact CB-CG1 4.37Å; A165-F232 HydrophobicContact CB-CE2 4.22Å; A165-F232 HydrophobicContact CB-CZ 3.86Å
166	K	98.4	Very high	94.5	Very high	97 Å²	97	57 Å²	57	42%	0.422	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-36	175.6	-72	171.5	-175.9	166.8	0	112.8	E162 N163 I164 K170	E162-K166 VanDerWaalsContact CD-NZ 3.26Å; E162-K166 HydrophobicContact CG-CD 4.26Å; E162-K166 WeakPolarHBondContact O-CG 3.31Å; E162-K166 PolarHBondContact O-N 3.14Å; E162-K166 WeakPolarHBondContact OE1-CE 3.33Å; E162-K166 IonicContact OE1-NZ 3.26Å; E162-K166 PolarHBondContact OE1-NZ 3.12Å; N163-K166 PolarHBondContact O-N 3.32Å; I164-K166 VanDerWaalsContact C-N 3.3Å; I164-K166 PolarHBondContact O-N 3.39Å; K166-K170 VanDerWaalsContact O-CB 3.31Å; K166-K170 WeakPolarHBondContact O-CB 3.27Å; K166-K170 PolarHBondContact O-N 3.43Å
167	M	98.3	Very high	94.3	Very high	41 Å²	41	55.9 Å²	55.9	20%	0.202	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-44	174.6	-72.2	173.4	63.7	0	0	111	N163 I164 K170 Q171 T299 A300 V303	N163-M167 VanDerWaalsContact O-CG 3.29Å; N163-M167 WeakPolarHBondContact O-CG 3.45Å; N163-M167 PolarHBondContact O-N 3.36Å; I164-M167 HydrophobicContact CD1-SD 4.15Å; I164-M167 WeakPolarHBondContact O-CB 3.44Å; I164-M167 PolarHBondContact O-N 3.24Å; I164-M167 VanDerWaalsContact O-N 3.07Å; M167-K170 PolarHBondContact O-N 2.98Å; M167-Q171 WeakPolarHBondContact O-CG 3.48Å; M167-Q171 PolarHBondContact O-N 3.08Å; M167-T299 HydrophobicContact CE-CG2 4.04Å; M167-T299 HydrophobicContact SD-CG2 4.26Å; M167-A300 HydrophobicContact CE-CB 4.15Å; M167-V303 HydrophobicContact CB-CG1 4.03Å; M167-V303 HydrophobicContact CE-CB 4.25Å; M167-V303 HydrophobicContact CE-CG2 4.14Å
168	I	98.3	Very high	94.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-51.7	174.9	-66.8	162.2	0	0	0	110.2	I152 I164 A165 K170 Q171 L172 L197 F232 V303 W306 V307	I152-I168 HydrophobicContact CD1-CB 4.3Å; I152-I168 HydrophobicContact CD1-CG2 3.72Å; I164-I168 HydrophobicContact CG2-CD1 3.87Å; I164-I168 HydrophobicContact CG2-CG1 4.42Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 2.66Å; A165-I168 PolarHBondContact O-N 2.96Å; I168-K170 VanDerWaalsContact C-N 3.28Å; I168-K170 PolarHBondContact O-N 3.05Å; I168-Q171 PolarHBondContact O-N 3Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.41Å; I168-L172 PolarHBondContact O-N 3.12Å; I168-L197 HydrophobicContact CG2-CD1 3.63Å; I168-F232 HydrophobicContact CD1-CD1 3.84Å; I168-F232 HydrophobicContact CD1-CD2 4.04Å; I168-F232 HydrophobicContact CD1-CE1 3.94Å; I168-F232 HydrophobicContact CD1-CE2 4.12Å; I168-F232 HydrophobicContact CD1-CG 3.89Å; I168-F232 HydrophobicContact CD1-CZ 4.06Å; I168-V303 HydrophobicContact CG1-CG1 3.79Å; I168-W306 HydrophobicContact CD1-CE3 4.36Å; I168-W306 HydrophobicContact CD1-CZ3 3.81Å; I168-W306 HydrophobicContact CG1-CZ3 4.35Å; I168-V307 HydrophobicContact CB-CG2 4.3Å; I168-V307 HydrophobicContact CG1-CG2 4.13Å; I168-V307 HydrophobicContact CG2-CG2 4.07Å
169	Q	96.9	Very high	94.7	Very high	33 Å²	33	52.2 Å²	52.2	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-57.1	-41.5	177.4	-174	-171.8	54.6	0	0	112.3	I152 A165 Q171 L172 G173 K174 A177 V179	I152-Q169 HydrophobicContact CD1-CB 4.09Å; A165-Q169 PolarHBondContact O-N 3.41Å; Q169-Q171 PolarHBondContact O-N 2.82Å; Q169-L172 PolarHBondContact O-N 3.27Å; Q169-G173 CarbonylContact O-C 3.53Å; Q169-G173 WeakPolarHBondContact O-CA 3.43Å; Q169-G173 PolarHBondContact O-N 2.7Å; Q169-K174 HydrophobicContact CG-CG 4.44Å; Q169-A177 HydrophobicContact CG-CB 4.46Å; Q169-A177 WeakPolarHBondContact CG-O 3.47Å; Q169-A177 PolarHBondContact NE2-O 3.32Å; Q169-V179 HydrophobicContact CB-CG2 3.54Å; Q169-V179 VanDerWaalsContact CD-CG2 3.43Å; Q169-V179 HydrophobicContact CG-CG2 3.83Å
170	K	96.3	Very high	94.8	Very high	178 Å²	178	53.5 Å²	53.5	77%	0.774	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-33.3	179.5	-177.6	-177.4	174.3	-169.7	0	111.9	K166 M167 I168	K166-K170 VanDerWaalsContact O-CB 3.31Å; K166-K170 WeakPolarHBondContact O-CB 3.27Å; K166-K170 PolarHBondContact O-N 3.43Å; M167-K170 PolarHBondContact O-N 2.98Å; I168-K170 VanDerWaalsContact C-N 3.28Å; I168-K170 PolarHBondContact O-N 3.05Å
171	Q	94.6	Very high	94.9	Very high	81 Å²	81	53.2 Å²	53.2	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-81.4	-40.7	179	-67.4	-163.5	44.9	0	0	112.9	M167 I168 Q169 E304 V307	M167-Q171 WeakPolarHBondContact O-CG 3.48Å; M167-Q171 PolarHBondContact O-N 3.08Å; I168-Q171 PolarHBondContact O-N 3Å; Q169-Q171 PolarHBondContact O-N 2.82Å; Q171-E304 VanDerWaalsContact NE2-CA 3.31Å; Q171-E304 VanDerWaalsContact OE1-CA 3.24Å; Q171-V307 HydrophobicContact CB-CB 4.28Å; Q171-V307 HydrophobicContact CB-CG1 3.75Å; Q171-V307 HydrophobicContact CB-CG2 4.23Å
172	L	91.7	Very high	94.9	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-70.6	-34.9	176.2	-68.3	175.3	0	0	0	112.8	I152 I168 Q169 A177 L197 V307 L316	I152-L172 HydrophobicContact CD1-CD1 4.46Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.41Å; I168-L172 PolarHBondContact O-N 3.12Å; Q169-L172 PolarHBondContact O-N 3.27Å; L172-A177 HydrophobicContact CB-CB 4.16Å; L172-A177 HydrophobicContact CD1-CB 3.99Å; L172-L197 HydrophobicContact CD1-CD1 3.89Å; L172-V307 HydrophobicContact CD2-CG1 3.72Å; L172-V307 HydrophobicContact CG-CG1 4.04Å; L172-L316 HydrophobicContact CD2-CD1 3.71Å
173	G	88.9	Confident	94.8	Very high	25 Å²	25	52.6 Å²	52.6	26%	0.258	27%	0.27	S	S	.	.			trans	104.1	142.6	-174.6	0	0	0	0	0	112.6	Q169 D175 V176 A177	Q169-G173 CarbonylContact O-C 3.53Å; Q169-G173 WeakPolarHBondContact O-CA 3.43Å; Q169-G173 PolarHBondContact O-N 2.7Å; G173-D175 PolarHBondContact O-N 3Å; G173-V176 PolarHBondContact O-N 3.42Å; G173-V176 VanDerWaalsContact O-N 3.12Å; G173-A177 PolarHBondContact O-N 3.09Å; G173-A177 VanDerWaalsContact O-N 3.08Å
174	K	86.4	Confident	94.7	Very high	154 Å²	154	56.9 Å²	56.9	67%	0.67	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.4	-177.9	-68	-172.5	175.9	-172.4	0	114.2	Q169 V176	Q169-K174 HydrophobicContact CG-CG 4.44Å; K174-V176 VanDerWaalsContact C-N 3.34Å
175	D	82.8	Confident	94.6	Very high	134 Å²	134	57.8 Å²	57.8	72%	0.717	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.3	177.3	-53.6	-43.5	0	0	0	111.4	G173	G173-D175 PolarHBondContact O-N 3Å
176	V	87.2	Confident	94.5	Very high	14 Å²	14	59.8 Å²	59.8	9%	0.085	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-37.9	-177.4	-175.3	0	0	0	0	111.8	A148 I149 T150 G173 K174 L320	A148-V176 CarbonylContact C-O 3.53Å; I149-V176 PolarHBondContact N-O 3.11Å; T150-V176 PolarHBondContact N-O 2.92Å; G173-V176 PolarHBondContact O-N 3.42Å; G173-V176 VanDerWaalsContact O-N 3.12Å; K174-V176 VanDerWaalsContact C-N 3.34Å; V176-L320 HydrophobicContact CB-CD2 4.44Å; V176-L320 HydrophobicContact CG1-CD1 4.44Å; V176-L320 HydrophobicContact CG1-CD2 4.12Å; V176-L320 HydrophobicContact CG2-CD1 4.05Å; V176-L320 HydrophobicContact CG2-CD2 3.58Å; V176-L320 HydrophobicContact CG2-CG 4.48Å
177	A	92.6	Very high	94.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125	-172.5	0	0	0	0	0	112.8	T150 I152 Q169 L172 G173	T150-A177 VanDerWaalsContact O-CA 3.3Å; T150-A177 WeakPolarHBondContact O-CA 3.49Å; I152-A177 HydrophobicContact CD1-CB 3.81Å; I152-A177 HydrophobicContact CG1-CB 4.12Å; Q169-A177 HydrophobicContact CG-CB 4.46Å; Q169-A177 WeakPolarHBondContact CG-O 3.47Å; Q169-A177 PolarHBondContact NE2-O 3.32Å; L172-A177 HydrophobicContact CB-CB 4.16Å; L172-A177 HydrophobicContact CD1-CB 3.99Å; G173-A177 PolarHBondContact O-N 3.09Å; G173-A177 VanDerWaalsContact O-N 3.08Å
178	D	95.4	Very high	94.2	Very high	59 Å²	59	61.3 Å²	61.3	32%	0.316	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.4	170.4	-75	-36.6	0	0	0	110.7	A148 T150 I152 H180 Y193	A148-D178 HydrophobicContact CB-CB 4.2Å; A148-D178 VanDerWaalsContact CB-CG 3.46Å; A148-D178 VanDerWaalsContact CB-OD2 3.23Å; A148-D178 WeakPolarHBondContact CB-OD2 3.43Å; T150-D178 PolarHBondContact O-N 3Å; I152-D178 WeakPolarHBondContact CA-O 3.22Å; I152-D178 WeakPolarHBondContact CB-O 3.28Å; I152-D178 PolarHBondContact N-O 3.49Å; D178-H180 WeakPolarHBondContact CB-NE2 3.45Å; D178-Y193 HydrophobicContact CB-CE1 4.39Å; D178-Y193 VanDerWaalsContact CB-OH 3.31Å; D178-Y193 WeakPolarHBondContact CB-OH 3.27Å; D178-Y193 PolarHBondContact OD2-OH 2.82Å
179	V	97.3	Very high	94	Very high	40 Å²	40	64.3 Å²	64.3	24%	0.242	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.8	179.7	172.4	0	0	0	0	109.8	I152 F154 A165 Q169	I152-V179 HydrophobicContact CB-CG2 4.08Å; I152-V179 HydrophobicContact CD1-CG2 4.07Å; I152-V179 HydrophobicContact CG1-CG2 4.47Å; I152-V179 HydrophobicContact CG2-CG2 4.48Å; I152-V179 CarbonylContact O-C 3.54Å; I152-V179 WeakPolarHBondContact O-CA 3.41Å; F154-V179 HydrophobicContact CD1-CG1 3.87Å; F154-V179 HydrophobicContact CE1-CG1 3.49Å; F154-V179 VanDerWaalsContact CE1-CG1 3.49Å; A165-V179 HydrophobicContact CB-CG1 4.37Å; Q169-V179 HydrophobicContact CB-CG2 3.54Å; Q169-V179 VanDerWaalsContact CD-CG2 3.43Å; Q169-V179 HydrophobicContact CG-CG2 3.83Å
180	H	98.2	Very high	94	Very high	49 Å²	49	62.7 Å²	62.7	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.1	-175.6	-60.4	-77.6	0	0	0	111.1	I152 F153 F154 D178 Y193	I152-H180 PolarHBondContact O-N 3.47Å; F153-H180 WeakPolarHBondContact CA-O 3.13Å; F153-H180 HydrophobicContact CD1-CB 3.46Å; F153-H180 VanDerWaalsContact CD1-CB 3.46Å; F153-H180 HydrophobicContact CE1-CB 3.44Å; F153-H180 VanDerWaalsContact CE1-CB 3.44Å; F153-H180 AromaticContact CE1-CD2 3.77Å; F153-H180 AromaticContact CE1-CG 3.69Å; F153-H180 HydrophobicContact CG-CB 4.19Å; F153-H180 HydrophobicContact CZ-CB 4.17Å; F153-H180 AromaticContact CZ-CD2 3.6Å; F154-H180 WeakPolarHBondContact CD1-O 3.38Å; F154-H180 WeakPolarHBondContact CE1-O 3.38Å; F154-H180 PolarHBondContact N-O 3.33Å; D178-H180 WeakPolarHBondContact CB-NE2 3.45Å; H180-Y193 AromaticContact NE2-CE2 3.67Å; H180-Y193 AromaticContact NE2-CZ 3.58Å; H180-Y193 PolarHBondContact NE2-OH 2.84Å
181	D	98.1	Very high	93.9	Very high	41 Å²	41	57.9 Å²	57.9	22%	0.219	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123	170.9	175.9	-3.9	0	0	0	108.2	F154 A183 K184 S185	F154-D181 HydrophobicContact CZ-CB 4.11Å; D181-A183 PolarHBondContact O-N 3.03Å; D181-A183 VanDerWaalsContact OD1-CB 3.31Å; D181-A183 WeakPolarHBondContact OD1-CB 3.19Å; D181-A183 PolarHBondContact OD1-N 2.72Å; D181-A183 VanDerWaalsContact OD1-N 3.08Å; D181-K184 PolarHBondContact O-N 3.36Å; D181-K184 IonicContact OD2-NZ 2.76Å; D181-K184 PolarHBondContact OD2-NZ 2.89Å; D181-S185 PolarHBondContact O-N 3.27Å; D181-S185 PolarHBondContact O-OG 2.72Å
182	I	98	Very high	93.8	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-60.6	-31.7	-175.3	-160.2	65.9	0	0	0	111.7	F153 F154 K184 S185 L190 D211 W212 F215	F153-I182 HydrophobicContact CB-CD1 4.25Å; F153-I182 HydrophobicContact CD1-CD1 4.23Å; F154-I182 WeakPolarHBondContact O-CB 3.39Å; F154-I182 WeakPolarHBondContact O-CG2 3.46Å; F154-I182 PolarHBondContact O-N 2.98Å; I182-K184 PolarHBondContact O-N 2.92Å; I182-K184 VanDerWaalsContact O-N 3.08Å; I182-S185 PolarHBondContact O-N 2.9Å; I182-S185 VanDerWaalsContact O-N 3.09Å; I182-L190 HydrophobicContact CD1-CD1 4.27Å; I182-D211 HydrophobicContact CG2-CB 3.77Å; I182-W212 HydrophobicContact CB-CZ2 4.49Å; I182-W212 HydrophobicContact CD1-CE3 4.46Å; I182-W212 HydrophobicContact CD1-CH2 3.89Å; I182-W212 HydrophobicContact CD1-CZ2 4.4Å; I182-W212 HydrophobicContact CD1-CZ3 3.92Å; I182-W212 HydrophobicContact CG1-CD2 4.19Å; I182-W212 HydrophobicContact CG1-CE3 4.02Å; I182-W212 HydrophobicContact CG1-CH2 4.13Å; I182-W212 HydrophobicContact CG1-CZ2 4.31Å; I182-W212 HydrophobicContact CG1-CZ3 3.99Å; I182-W212 HydrophobicContact CG2-CD2 4.3Å; I182-W212 HydrophobicContact CG2-CG 4.32Å; I182-F215 HydrophobicContact CD1-CD1 3.64Å; I182-F215 HydrophobicContact CD1-CD2 4.04Å; I182-F215 HydrophobicContact CD1-CE1 3.78Å; I182-F215 HydrophobicContact CD1-CE2 4.15Å; I182-F215 HydrophobicContact CD1-CG 3.79Å; I182-F215 HydrophobicContact CD1-CZ 4.04Å; I182-F215 HydrophobicContact CG1-CB 3.87Å; I182-F215 HydrophobicContact CG1-CD1 3.92Å; I182-F215 HydrophobicContact CG1-CD2 4.02Å; I182-F215 HydrophobicContact CG1-CG 3.65Å
183	A	95.8	Very high	93.8	Very high	55 Å²	55	57.3 Å²	57.3	46%	0.455	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.4	177.1	0	0	0	0	0	113.5	D181 D211	D181-A183 PolarHBondContact O-N 3.03Å; D181-A183 VanDerWaalsContact OD1-CB 3.31Å; D181-A183 WeakPolarHBondContact OD1-CB 3.19Å; D181-A183 PolarHBondContact OD1-N 2.72Å; D181-A183 VanDerWaalsContact OD1-N 3.08Å; A183-D211 HydrophobicContact CB-CB 3.9Å
184	K	96.6	Very high	93.9	Very high	168 Å²	168	59.2 Å²	59.2	73%	0.73	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-115.8	4.5	-179	-59.7	180	-170.6	101.8	0	112.7	D181 I182	D181-K184 PolarHBondContact O-N 3.36Å; D181-K184 IonicContact OD2-NZ 2.76Å; D181-K184 PolarHBondContact OD2-NZ 2.89Å; I182-K184 PolarHBondContact O-N 2.92Å; I182-K184 VanDerWaalsContact O-N 3.08Å
185	S	96.7	Very high	94.2	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	28%	0.282	C	S	.	.			trans	-96.6	154.8	-175.9	-59.4	0	0	0	0	110.9	F153 D181 I182	F153-S185 WeakPolarHBondContact CD1-OG 3.1Å; D181-S185 PolarHBondContact O-N 3.27Å; D181-S185 PolarHBondContact O-OG 2.72Å; I182-S185 PolarHBondContact O-N 2.9Å; I182-S185 VanDerWaalsContact O-N 3.09Å
186	S	95.6	Very high	94.9	Very high	41 Å²	41	45.8 Å²	45.8	29%	0.287	25%	0.248	S	C	.	.			trans	-117.3	170.1	174.9	63.9	0	0	0	0	110.7	E188 D189 L190	S186-E188 PolarHBondContact O-N 3.01Å; S186-D189 WeakPolarHBondContact CB-OD2 3.39Å; S186-D189 PolarHBondContact N-OD2 3.19Å; S186-D189 PolarHBondContact O-N 3.23Å; S186-D189 PolarHBondContact OG-N 3.2Å; S186-D189 PolarHBondContact OG-OD2 2.94Å; S186-L190 WeakPolarHBondContact O-CD1 3.39Å; S186-L190 PolarHBondContact O-N 3.36Å
187	K	95.5	Very high	95.4	Very high	45 Å²	45	45.1 Å²	45.1	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-52.9	-47.3	172.5	-173.6	179.9	176.2	167.8	0	111.4	D189 L190 E191 T218 E221 I222	K187-D189 PolarHBondContact O-N 2.99Å; K187-L190 PolarHBondContact O-N 3.28Å; K187-E191 WeakPolarHBondContact CE-OE1 3.17Å; K187-E191 HydrophobicContact CG-CG 4.37Å; K187-E191 IonicContact NZ-OE1 3.48Å; K187-E191 WeakPolarHBondContact O-CG 3.29Å; K187-E191 PolarHBondContact O-N 3.34Å; K187-T218 HydrophobicContact CB-CG2 3.65Å; K187-T218 HydrophobicContact CG-CG2 4.28Å; K187-E221 HydrophobicContact CD-CB 4.35Å; K187-E221 WeakPolarHBondContact CE-O 3.44Å; K187-E221 PolarHBondContact NZ-O 3.25Å; K187-E221 IonicContact NZ-OE2 2.92Å; K187-I222 HydrophobicContact CD-CG1 4.42Å; K187-I222 HydrophobicContact CG-CD1 4.22Å; K187-I222 HydrophobicContact CG-CG1 3.67Å
188	E	94.8	Very high	95.7	Very high	126 Å²	126	45.1 Å²	45.1	59%	0.589	24%	0.244	S	C	*	.	H	α-helix	trans	-64.6	-29.4	-177.2	-65.4	79.3	-175.9	0	0	112.4	S186 A192	S186-E188 PolarHBondContact O-N 3.01Å; E188-A192 PolarHBondContact O-N 2.99Å
189	D	95.1	Very high	95.9	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-67.5	-41	177.1	-61.6	-48.3	0	0	0	111.2	F153 S186 K187 Y193	F153-D189 HydrophobicContact CE1-CB 4.19Å; F153-D189 HydrophobicContact CZ-CB 4.32Å; S186-D189 WeakPolarHBondContact CB-OD2 3.39Å; S186-D189 PolarHBondContact N-OD2 3.19Å; S186-D189 PolarHBondContact O-N 3.23Å; S186-D189 PolarHBondContact OG-N 3.2Å; S186-D189 PolarHBondContact OG-OD2 2.94Å; K187-D189 PolarHBondContact O-N 2.99Å; D189-Y193 WeakPolarHBondContact O-CD2 3.5Å; D189-Y193 VanDerWaalsContact O-CE2 3.29Å; D189-Y193 WeakPolarHBondContact O-CE2 3.42Å
190	L	96.3	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.9	-40.2	175.8	-80.2	74.7	0	0	0	111.4	F153 I182 S186 K187 A192 Y193 L196 F215 L219 I222	F153-L190 HydrophobicContact CD1-CD1 3.58Å; F153-L190 HydrophobicContact CD1-CG 4.09Å; F153-L190 HydrophobicContact CD2-CD1 4.45Å; F153-L190 HydrophobicContact CD2-CG 4.06Å; F153-L190 HydrophobicContact CE1-CD1 3.37Å; F153-L190 HydrophobicContact CE1-CG 3.94Å; F153-L190 HydrophobicContact CE2-CD1 4.27Å; F153-L190 HydrophobicContact CE2-CG 3.89Å; F153-L190 HydrophobicContact CG-CD1 4.14Å; F153-L190 HydrophobicContact CG-CG 4.16Å; F153-L190 HydrophobicContact CZ-CB 4.42Å; F153-L190 HydrophobicContact CZ-CD1 3.74Å; F153-L190 HydrophobicContact CZ-CG 3.84Å; I182-L190 HydrophobicContact CD1-CD1 4.27Å; S186-L190 WeakPolarHBondContact O-CD1 3.39Å; S186-L190 PolarHBondContact O-N 3.36Å; K187-L190 PolarHBondContact O-N 3.28Å; L190-A192 PolarHBondContact O-N 3.16Å; L190-Y193 PolarHBondContact O-N 3.3Å; L190-L196 HydrophobicContact CB-CD2 4.49Å; L190-F215 HydrophobicContact CD1-CE1 4.13Å; L190-F215 HydrophobicContact CD1-CZ 3.69Å; L190-F215 HydrophobicContact CD2-CE1 3.83Å; L190-F215 HydrophobicContact CD2-CZ 4.19Å; L190-L219 HydrophobicContact CD2-CD1 3.91Å; L190-I222 HydrophobicContact CB-CD1 3.84Å; L190-I222 HydrophobicContact CD2-CD1 3.83Å; L190-I222 HydrophobicContact CG-CD1 4.41Å
191	E	94.1	Very high	96	Very high	77 Å²	77	38.6 Å²	38.6	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-25.2	-179.6	-75.4	-179	151.8	0	0	112.9	K187 Y193 I222 K227	K187-E191 WeakPolarHBondContact CE-OE1 3.17Å; K187-E191 HydrophobicContact CG-CG 4.37Å; K187-E191 IonicContact NZ-OE1 3.48Å; K187-E191 WeakPolarHBondContact O-CG 3.29Å; K187-E191 PolarHBondContact O-N 3.34Å; E191-Y193 PolarHBondContact O-N 3.06Å; E191-I222 HydrophobicContact CG-CG1 4.4Å; E191-I222 HydrophobicContact CG-CG2 4.1Å; E191-K227 PolarHBondContact O-NZ 3.12Å
192	A	92.1	Very high	96	Very high	64 Å²	64	37.8 Å²	37.8	53%	0.529	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.5	178.6	0	0	0	0	0	114.8	E188 L190	E188-A192 PolarHBondContact O-N 2.99Å; L190-A192 PolarHBondContact O-N 3.16Å
193	Y	93.2	Very high	95.8	Very high	28 Å²	28	40.9 Å²	40.9	11%	0.11	22%	0.218	C	C	.	.			trans	-111.7	138.7	-179	-60.1	-84.3	0	0	0	111.9	A148 G151 F153 D178 H180 D189 L190 E191 L196 K227	A148-Y193 HydrophobicContact CB-CE1 4.26Å; A148-Y193 WeakPolarHBondContact O-CD1 3.38Å; A148-Y193 VanDerWaalsContact O-CE1 3.31Å; A148-Y193 WeakPolarHBondContact O-CE1 3.48Å; G151-Y193 VanDerWaalsContact N-CD1 3.27Å; F153-Y193 AromaticContact CE2-CD2 3.95Å; F153-Y193 HydrophobicContact CE2-CD2 3.95Å; F153-Y193 HydrophobicContact CE2-CE2 4.18Å; F153-Y193 HydrophobicContact CZ-CD2 4.07Å; F153-Y193 AromaticContact CZ-CE2 3.97Å; F153-Y193 HydrophobicContact CZ-CE2 3.97Å; D178-Y193 HydrophobicContact CB-CE1 4.39Å; D178-Y193 VanDerWaalsContact CB-OH 3.31Å; D178-Y193 WeakPolarHBondContact CB-OH 3.27Å; D178-Y193 PolarHBondContact OD2-OH 2.82Å; H180-Y193 AromaticContact NE2-CE2 3.67Å; H180-Y193 AromaticContact NE2-CZ 3.58Å; H180-Y193 PolarHBondContact NE2-OH 2.84Å; D189-Y193 WeakPolarHBondContact O-CD2 3.5Å; D189-Y193 VanDerWaalsContact O-CE2 3.29Å; D189-Y193 WeakPolarHBondContact O-CE2 3.42Å; L190-Y193 PolarHBondContact O-N 3.3Å; E191-Y193 PolarHBondContact O-N 3.06Å; Y193-L196 HydrophobicContact CD2-CD2 4.47Å; Y193-K227 PolarHBondContact O-NZ 2.97Å
194	D	89.5	Confident	95.7	Very high	66 Å²	66	45.1 Å²	45.1	35%	0.353	22%	0.223	S	C	.	.	S	Bend	trans	-84.5	-27.3	172.5	-65.8	-41.8	0	0	0	111.9	K227 L228	D194-K227 WeakPolarHBondContact O-CA 3.07Å; D194-L228 PolarHBondContact O-N 2.88Å
195	I	94.2	Very high	95.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.4	175.2	-54.1	-177.4	0	0	0	108.9	I149 T150 G151 L228 L314 L316 I319	I149-I195 HydrophobicContact CG2-CD1 3.89Å; I149-I195 HydrophobicContact CG2-CG1 4.42Å; T150-I195 WeakPolarHBondContact CA-O 3.46Å; T150-I195 HydrophobicContact CG2-CB 4.37Å; T150-I195 HydrophobicContact CG2-CG2 3.88Å; G151-I195 PolarHBondContact N-O 2.85Å; I195-L228 WeakPolarHBondContact CA-O 3.48Å; I195-L228 HydrophobicContact CG1-CB 4.5Å; I195-L314 HydrophobicContact CD1-CB 4.45Å; I195-L314 HydrophobicContact CD1-CD2 4.39Å; I195-L314 HydrophobicContact CG2-CD1 3.71Å; I195-L314 HydrophobicContact CG2-CD2 4Å; I195-L314 HydrophobicContact CG2-CG 4.48Å; I195-L316 HydrophobicContact CD1-CD2 3.65Å; I195-I319 HydrophobicContact CD1-CD1 4.15Å
196	L	97	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.4	-179	-67.1	168.2	0	0	0	111	G151 F153 L190 Y193 L198 F224 K227 L228 V229 A230	G151-L196 CarbonylContact O-C 3.58Å; G151-L196 WeakPolarHBondContact O-CA 3.42Å; F153-L196 HydrophobicContact CD2-CD2 3.92Å; F153-L196 HydrophobicContact CE2-CD2 3.62Å; L190-L196 HydrophobicContact CB-CD2 4.49Å; Y193-L196 HydrophobicContact CD2-CD2 4.47Å; L196-L198 HydrophobicContact CB-CD2 4.13Å; L196-F224 HydrophobicContact CD1-CD1 4.26Å; L196-F224 HydrophobicContact CD1-CE1 3.72Å; L196-K227 HydrophobicContact CD1-CD 4.03Å; L196-L228 PolarHBondContact N-O 3.37Å; L196-V229 HydrophobicContact CB-CG1 4.25Å; L196-V229 HydrophobicContact CB-CG2 4.27Å; L196-V229 HydrophobicContact CD1-CG2 4.46Å; L196-V229 CarbonylContact O-C 3.58Å; L196-V229 VanDerWaalsContact O-CA 3.28Å; L196-V229 WeakPolarHBondContact O-CA 3.28Å; L196-A230 PolarHBondContact O-N 3.31Å
197	L	98.4	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.4	167.3	-53.9	-175.5	0	0	0	108.9	T150 G151 I152 F153 I168 L172 A230 F232 W306 I310	T150-L197 HydrophobicContact CG2-CD1 4Å; T150-L197 HydrophobicContact CG2-CG 3.74Å; G151-L197 PolarHBondContact O-N 2.94Å; I152-L197 CarbonylContact C-O 3.51Å; I152-L197 WeakPolarHBondContact CA-O 3.5Å; I152-L197 HydrophobicContact CB-CB 4.4Å; I152-L197 HydrophobicContact CD1-CD1 4.13Å; I152-L197 HydrophobicContact CG1-CB 4.14Å; I152-L197 HydrophobicContact CG1-CD1 4Å; I152-L197 HydrophobicContact CG1-CG 4.34Å; I152-L197 HydrophobicContact CG2-CB 4.22Å; F153-L197 PolarHBondContact N-O 2.91Å; I168-L197 HydrophobicContact CG2-CD1 3.63Å; L172-L197 HydrophobicContact CD1-CD1 3.89Å; L197-A230 CarbonylContact C-O 3.35Å; L197-A230 VanDerWaalsContact CA-O 3.28Å; L197-A230 WeakPolarHBondContact CA-O 3.46Å; L197-A230 HydrophobicContact CD2-CB 3.36Å; L197-F232 HydrophobicContact CB-CE1 4.21Å; L197-W306 HydrophobicContact CD2-CH2 4.33Å; L197-I310 HydrophobicContact CD1-CD1 3.91Å; L197-I310 HydrophobicContact CD2-CD1 3.9Å
198	L	98.8	Very high	95.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.1	-174.5	-49.7	-177.7	0	0	0	110.8	F153 L196 W212 V229 A230 L231 F232 I251	F153-L198 HydrophobicContact CB-CD2 3.97Å; F153-L198 HydrophobicContact CD2-CD2 4.25Å; F153-L198 HydrophobicContact CG-CD2 4.47Å; F153-L198 CarbonylContact O-C 3.44Å; F153-L198 WeakPolarHBondContact O-CA 3.31Å; L196-L198 HydrophobicContact CB-CD2 4.13Å; L198-W212 HydrophobicContact CB-CH2 4.06Å; L198-W212 HydrophobicContact CB-CZ2 4.29Å; L198-W212 HydrophobicContact CD1-CH2 4.45Å; L198-W212 HydrophobicContact CD2-CH2 4.19Å; L198-W212 HydrophobicContact CG-CH2 4.45Å; L198-V229 HydrophobicContact CD1-CG1 3.85Å; L198-V229 HydrophobicContact CG-CG1 3.9Å; L198-A230 PolarHBondContact N-O 3.22Å; L198-L231 HydrophobicContact CB-CD2 3.79Å; L198-L231 HydrophobicContact CD1-CD2 4.21Å; L198-L231 HydrophobicContact CG-CD2 4.26Å; L198-L231 WeakPolarHBondContact O-CA 3.35Å; L198-F232 PolarHBondContact O-N 2.84Å; L198-I251 HydrophobicContact CB-CD1 4.17Å; L198-I251 HydrophobicContact CD1-CG2 3.88Å
199	G	98.8	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.6	-175.8	0	0	0	0	0	113.1	F153 F154 G155 W212 F232	F153-G199 PolarHBondContact O-N 3.47Å; F154-G199 VanDerWaalsContact CA-O 3.29Å; F154-G199 WeakPolarHBondContact CA-O 3.44Å; G155-G199 PolarHBondContact N-O 3.42Å; G155-G199 VanDerWaalsContact N-O 3.1Å; G199-W212 PolarHBondContact O-NE1 2.95Å; G199-F232 CarbonylContact C-O 3.58Å; G199-F232 VanDerWaalsContact CA-CE1 3.41Å; G199-F232 VanDerWaalsContact CA-CE2 3.42Å; G199-F232 VanDerWaalsContact CA-O 3.24Å; G199-F232 WeakPolarHBondContact CA-O 3.38Å
200	I	98.6	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122	-176.8	-171.6	165.1	0	0	0	112.8	A208 W212 F216 F232 G233 C234 A247 L248 I251	I200-A208 HydrophobicContact CD1-CB 3.98Å; I200-W212 HydrophobicContact CB-CG 4.47Å; I200-W212 HydrophobicContact CD1-CB 3.9Å; I200-W212 HydrophobicContact CD1-CD2 4.15Å; I200-W212 HydrophobicContact CD1-CG 3.71Å; I200-W212 HydrophobicContact CG1-CB 4.44Å; I200-W212 HydrophobicContact CG1-CD2 4.49Å; I200-W212 HydrophobicContact CG1-CG 3.94Å; I200-F216 HydrophobicContact CD1-CE1 4.25Å; I200-F216 HydrophobicContact CD1-CZ 3.84Å; I200-F232 PolarHBondContact N-O 3.12Å; I200-G233 WeakPolarHBondContact O-CA 3.47Å; I200-C234 PolarHBondContact O-N 2.73Å; I200-A247 HydrophobicContact CD1-CB 3.76Å; I200-A247 HydrophobicContact CG1-CB 3.72Å; I200-A247 HydrophobicContact CG2-CB 4.19Å; I200-L248 HydrophobicContact CG2-CD2 4.17Å; I200-I251 HydrophobicContact CB-CD1 3.69Å; I200-I251 HydrophobicContact CB-CG1 4.5Å; I200-I251 HydrophobicContact CD1-CD1 3.8Å; I200-I251 HydrophobicContact CD1-CG1 3.84Å; I200-I251 HydrophobicContact CG1-CD1 4.34Å; I200-I251 HydrophobicContact CG2-CD1 3.53Å; I200-I251 HydrophobicContact CG2-CG1 4.1Å
201	P	98.3	Very high	95.3	Very high	10 Å²	10	42.1 Å²	42.1	7%	0.065	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	150.9	168.9	28.2	-22.6	0	0	0	110.7	G155 T161 Q209 C234	G155-P201 WeakPolarHBondContact O-CD 3.42Å; G155-P201 WeakPolarHBondContact O-CG 3.38Å; T161-P201 WeakPolarHBondContact OG1-CB 3.13Å; T161-P201 WeakPolarHBondContact OG1-CG 3.49Å; P201-Q209 HydrophobicContact CG-CB 3.88Å; P201-Q209 HydrophobicContact CG-CG 4.23Å; P201-C234 WeakPolarHBondContact CA-O 3.39Å; P201-C234 HydrophobicContact CB-CB 4.32Å
202	T	97.8	Very high	95.5	Very high	25 Å²	25	38.4 Å²	38.4	15%	0.153	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.2	170.2	-57.2	0	0	0	0	110.2	C234 C245 D246 A247	T202-C234 PolarHBondContact N-O 3.43Å; T202-C245 VanDerWaalsContact OG1-C 3.23Å; T202-C245 VanDerWaalsContact OG1-CA 3.31Å; T202-C245 WeakPolarHBondContact OG1-CA 3.29Å; T202-D246 HydrophobicContact CG2-CB 4.02Å; T202-D246 PolarHBondContact OG1-N 3.28Å; T202-A247 WeakPolarHBondContact OG1-CB 3.22Å; T202-A247 PolarHBondContact OG1-N 3Å
203	W	94.5	Very high	95.5	Very high	67 Å²	67	40 Å²	40	25%	0.254	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154.2	176.7	-75.7	84.8	0	0	0	111.6	D157 T158 Y205 G206 E207	D157-W203 HydrophobicContact CB-CH2 4.05Å; D157-W203 HydrophobicContact CB-CZ2 3.61Å; D157-W203 WeakPolarHBondContact OD2-CZ2 3.38Å; T158-W203 HydrophobicContact CG2-CH2 3.86Å; T158-W203 HydrophobicContact CG2-CZ2 4.19Å; W203-Y205 PolarHBondContact O-N 2.87Å; W203-G206 PolarHBondContact O-N 2.77Å; W203-E207 PolarHBondContact N-O 2.77Å; W203-E207 WeakPolarHBondContact O-CB 3.31Å; W203-E207 PolarHBondContact O-N 2.89Å
204	Y	93.8	Very high	95.7	Very high	143 Å²	143	44.9 Å²	44.9	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	-122.7	176.3	-50.6	-64.3	0	0	0	112.2	G206 Y240	Y204-G206 PolarHBondContact O-N 3.02Å; Y204-Y240 WeakPolarHBondContact O-CD1 3.43Å; Y204-Y240 WeakPolarHBondContact O-CE1 3.45Å
205	Y	95.6	Very high	96.1	Very high	159 Å²	159	42.4 Å²	42.4	62%	0.624	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	53.2	-175.1	-50.6	-75.5	0	0	0	111.2	W203 Y243	W203-Y205 PolarHBondContact O-N 2.87Å; Y205-Y243 HydrophobicContact CD1-CD2 4.43Å; Y205-Y243 AromaticContact CD1-CE2 3.93Å; Y205-Y243 HydrophobicContact CD1-CE2 3.93Å; Y205-Y243 VanDerWaalsContact O-CD1 3.24Å; Y205-Y243 WeakPolarHBondContact O-CD1 3.35Å; Y205-Y243 WeakPolarHBondContact O-CE1 3.44Å
206	G	92.1	Very high	96.3	Very high	6 Å²	6	42.9 Å²	42.9	6%	0.062	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	19.7	177.5	0	0	0	0	0	115	W203 Y204	W203-G206 PolarHBondContact O-N 2.77Å; Y204-G206 PolarHBondContact O-N 3.02Å
207	E	93.1	Very high	96.3	Very high	102 Å²	102	46.6 Å²	46.6	48%	0.477	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	160.3	-178.9	-63.7	173.2	-147.8	0	0	111.6	W203	W203-E207 PolarHBondContact N-O 2.77Å; W203-E207 WeakPolarHBondContact O-CB 3.31Å; W203-E207 PolarHBondContact O-N 2.89Å
208	A	94	Very high	96.2	Very high	17 Å²	17	48.6 Å²	48.6	14%	0.14	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	156	171.6	0	0	0	0	0	111.4	I200 W212 F216	I200-A208 HydrophobicContact CD1-CB 3.98Å; A208-W212 HydrophobicContact CB-CB 4.39Å; A208-F216 HydrophobicContact CB-CE2 3.41Å; A208-F216 VanDerWaalsContact CB-CE2 3.41Å; A208-F216 HydrophobicContact CB-CZ 3.51Å
209	Q	95.7	Very high	96.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.9	149.3	167.4	-174.7	-91.7	-25.6	0	0	110.9	D157 P201 D211 W212 D213	D157-Q209 PolarHBondContact OD1-NE2 2.96Å; P201-Q209 HydrophobicContact CG-CB 3.88Å; P201-Q209 HydrophobicContact CG-CG 4.23Å; Q209-D211 VanDerWaalsContact NE2-CG 3.31Å; Q209-D211 PolarHBondContact NE2-OD2 3.41Å; Q209-D211 PolarHBondContact O-N 2.6Å; Q209-W212 WeakPolarHBondContact O-CB 3.46Å; Q209-W212 PolarHBondContact O-N 3.39Å; Q209-W212 VanDerWaalsContact O-N 3.08Å; Q209-D213 PolarHBondContact O-N 3.04Å
210	C	94.4	Very high	96.1	Very high	68 Å²	68	53.3 Å²	53.3	46%	0.459	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-38.8	-168.1	58.4	0	0	0	0	114.6	W212 D213 D214	C210-W212 VanDerWaalsContact C-N 3.3Å; C210-W212 PolarHBondContact O-N 3.46Å; C210-D213 PolarHBondContact O-N 3.28Å; C210-D214 PolarHBondContact O-N 2.89Å
211	D	96.6	Very high	96	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-33.5	178.7	-56.6	-48.2	0	0	0	111.4	I182 A183 Q209 F215	I182-D211 HydrophobicContact CG2-CB 3.77Å; A183-D211 HydrophobicContact CB-CB 3.9Å; Q209-D211 VanDerWaalsContact NE2-CG 3.31Å; Q209-D211 PolarHBondContact NE2-OD2 3.41Å; Q209-D211 PolarHBondContact O-N 2.6Å; D211-F215 VanDerWaalsContact O-CB 3.28Å; D211-F215 WeakPolarHBondContact O-CB 3.44Å; D211-F215 PolarHBondContact O-N 2.85Å
212	W	98.2	Very high	95.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-44	170.8	-87.9	113	0	0	0	112.3	G155 I182 L198 G199 I200 A208 Q209 C210 D214 F215 F216 L219 I251	G155-W212 VanDerWaalsContact N-NE1 3.14Å; I182-W212 HydrophobicContact CB-CZ2 4.49Å; I182-W212 HydrophobicContact CD1-CE3 4.46Å; I182-W212 HydrophobicContact CD1-CH2 3.89Å; I182-W212 HydrophobicContact CD1-CZ2 4.4Å; I182-W212 HydrophobicContact CD1-CZ3 3.92Å; I182-W212 HydrophobicContact CG1-CD2 4.19Å; I182-W212 HydrophobicContact CG1-CE3 4.02Å; I182-W212 HydrophobicContact CG1-CH2 4.13Å; I182-W212 HydrophobicContact CG1-CZ2 4.31Å; I182-W212 HydrophobicContact CG1-CZ3 3.99Å; I182-W212 HydrophobicContact CG2-CD2 4.3Å; I182-W212 HydrophobicContact CG2-CG 4.32Å; L198-W212 HydrophobicContact CB-CH2 4.06Å; L198-W212 HydrophobicContact CB-CZ2 4.29Å; L198-W212 HydrophobicContact CD1-CH2 4.45Å; L198-W212 HydrophobicContact CD2-CH2 4.19Å; L198-W212 HydrophobicContact CG-CH2 4.45Å; G199-W212 PolarHBondContact O-NE1 2.95Å; I200-W212 HydrophobicContact CB-CG 4.47Å; I200-W212 HydrophobicContact CD1-CB 3.9Å; I200-W212 HydrophobicContact CD1-CD2 4.15Å; I200-W212 HydrophobicContact CD1-CG 3.71Å; I200-W212 HydrophobicContact CG1-CB 4.44Å; I200-W212 HydrophobicContact CG1-CD2 4.49Å; I200-W212 HydrophobicContact CG1-CG 3.94Å; A208-W212 HydrophobicContact CB-CB 4.39Å; Q209-W212 WeakPolarHBondContact O-CB 3.46Å; Q209-W212 PolarHBondContact O-N 3.39Å; Q209-W212 VanDerWaalsContact O-N 3.08Å; C210-W212 VanDerWaalsContact C-N 3.3Å; C210-W212 PolarHBondContact O-N 3.46Å; W212-D214 VanDerWaalsContact C-N 3.33Å; W212-D214 PolarHBondContact O-N 3.03Å; W212-F215 HydrophobicContact CZ3-CD1 4.33Å; W212-F215 CarbonylContact O-C 3.45Å; W212-F215 WeakPolarHBondContact O-CA 3.46Å; W212-F215 PolarHBondContact O-N 3.3Å; W212-F216 HydrophobicContact CB-CE1 4.08Å; W212-F216 HydrophobicContact CB-CZ 4.11Å; W212-F216 HydrophobicContact CD2-CE1 4.45Å; W212-F216 HydrophobicContact CE3-CD1 4.27Å; W212-F216 AromaticContact CE3-CE1 3.87Å; W212-F216 HydrophobicContact CE3-CE1 3.87Å; W212-F216 WeakPolarHBondContact O-CD1 3.28Å; W212-F216 VanDerWaalsContact O-CG 3.22Å; W212-F216 WeakPolarHBondContact O-CG 3.45Å; W212-F216 PolarHBondContact O-N 3.21Å; W212-L219 HydrophobicContact CZ3-CD2 4.27Å; W212-I251 HydrophobicContact CD2-CD1 4.29Å; W212-I251 HydrophobicContact CE3-CD1 4.19Å; W212-I251 HydrophobicContact CH2-CD1 4Å; W212-I251 HydrophobicContact CZ2-CD1 4.08Å; W212-I251 HydrophobicContact CZ3-CD1 4.05Å
213	D	94	Very high	95.7	Very high	98 Å²	98	62.4 Å²	62.4	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-44	178.1	-163.4	53.3	0	0	0	111.5	Q209 C210 F215 F216 P217	Q209-D213 PolarHBondContact O-N 3.04Å; C210-D213 PolarHBondContact O-N 3.28Å; D213-F215 VanDerWaalsContact C-N 3.26Å; D213-F215 PolarHBondContact O-N 3.4Å; D213-F216 PolarHBondContact O-N 3.32Å; D213-P217 WeakPolarHBondContact O-CD 3.28Å
214	D	96.6	Very high	95.8	Very high	130 Å²	130	59.2 Å²	59.2	70%	0.695	30%	0.298	S	S	*	.	H	α-helix	trans	-63.6	-31.5	173.4	-81.1	-13.3	0	0	0	112.3	C210 W212	C210-D214 PolarHBondContact O-N 2.89Å; W212-D214 VanDerWaalsContact C-N 3.33Å; W212-D214 PolarHBondContact O-N 3.03Å
215	F	97.9	Very high	95.8	Very high	13 Å²	13	57.8 Å²	57.8	6%	0.057	30%	0.3	C	S	.	.	H	α-helix	trans	-84.3	-22.2	179.8	-164	-93.2	0	0	0	113.6	I182 L190 D211 W212 D213 T218 L219	I182-F215 HydrophobicContact CD1-CD1 3.64Å; I182-F215 HydrophobicContact CD1-CD2 4.04Å; I182-F215 HydrophobicContact CD1-CE1 3.78Å; I182-F215 HydrophobicContact CD1-CE2 4.15Å; I182-F215 HydrophobicContact CD1-CG 3.79Å; I182-F215 HydrophobicContact CD1-CZ 4.04Å; I182-F215 HydrophobicContact CG1-CB 3.87Å; I182-F215 HydrophobicContact CG1-CD1 3.92Å; I182-F215 HydrophobicContact CG1-CD2 4.02Å; I182-F215 HydrophobicContact CG1-CG 3.65Å; L190-F215 HydrophobicContact CD1-CE1 4.13Å; L190-F215 HydrophobicContact CD1-CZ 3.69Å; L190-F215 HydrophobicContact CD2-CE1 3.83Å; L190-F215 HydrophobicContact CD2-CZ 4.19Å; D211-F215 VanDerWaalsContact O-CB 3.28Å; D211-F215 WeakPolarHBondContact O-CB 3.44Å; D211-F215 PolarHBondContact O-N 2.85Å; W212-F215 HydrophobicContact CZ3-CD1 4.33Å; W212-F215 CarbonylContact O-C 3.45Å; W212-F215 WeakPolarHBondContact O-CA 3.46Å; W212-F215 PolarHBondContact O-N 3.3Å; D213-F215 VanDerWaalsContact C-N 3.26Å; D213-F215 PolarHBondContact O-N 3.4Å; F215-T218 HydrophobicContact CE1-CG2 4.36Å; F215-T218 HydrophobicContact CE2-CG2 3.93Å; F215-T218 HydrophobicContact CZ-CG2 3.79Å; F215-T218 CarbonylContact O-C 3.17Å; F215-T218 WeakPolarHBondContact O-CA 3.43Å; F215-T218 VanDerWaalsContact O-CB 3.27Å; F215-T218 WeakPolarHBondContact O-CB 3.44Å; F215-T218 PolarHBondContact O-N 2.95Å; F215-L219 HydrophobicContact CD1-CB 4.06Å; F215-L219 HydrophobicContact CD1-CD1 4.48Å; F215-L219 HydrophobicContact CE1-CB 4.17Å; F215-L219 HydrophobicContact CE1-CD1 4.15Å; F215-L219 PolarHBondContact O-N 3.03Å
216	F	98.1	Very high	95.4	Very high	17 Å²	17	53.1 Å²	53.1	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-53.8	-42.5	-176.8	-71.2	-25.9	0	0	0	114.6	I200 A208 W212 D213 T218 L219 E220 T250 I251 I254	I200-F216 HydrophobicContact CD1-CE1 4.25Å; I200-F216 HydrophobicContact CD1-CZ 3.84Å; A208-F216 HydrophobicContact CB-CE2 3.41Å; A208-F216 VanDerWaalsContact CB-CE2 3.41Å; A208-F216 HydrophobicContact CB-CZ 3.51Å; W212-F216 HydrophobicContact CB-CE1 4.08Å; W212-F216 HydrophobicContact CB-CZ 4.11Å; W212-F216 HydrophobicContact CD2-CE1 4.45Å; W212-F216 HydrophobicContact CE3-CD1 4.27Å; W212-F216 AromaticContact CE3-CE1 3.87Å; W212-F216 HydrophobicContact CE3-CE1 3.87Å; W212-F216 WeakPolarHBondContact O-CD1 3.28Å; W212-F216 VanDerWaalsContact O-CG 3.22Å; W212-F216 WeakPolarHBondContact O-CG 3.45Å; W212-F216 PolarHBondContact O-N 3.21Å; D213-F216 PolarHBondContact O-N 3.32Å; F216-T218 PolarHBondContact O-N 3.04Å; F216-L219 HydrophobicContact CD1-CD2 4Å; F216-L219 HydrophobicContact CE1-CD2 4.4Å; F216-L219 WeakPolarHBondContact O-CB 3.02Å; F216-L219 PolarHBondContact O-N 3.45Å; F216-L219 VanDerWaalsContact O-N 3.1Å; F216-E220 WeakPolarHBondContact O-CB 3.46Å; F216-E220 WeakPolarHBondContact O-CG 3.29Å; F216-E220 PolarHBondContact O-N 3.08Å; F216-T250 HydrophobicContact CE2-CG2 3.68Å; F216-T250 HydrophobicContact CZ-CG2 3.73Å; F216-I251 HydrophobicContact CE1-CG1 4.14Å; F216-I254 HydrophobicContact CB-CD1 4.08Å; F216-I254 HydrophobicContact CD1-CD1 3.61Å; F216-I254 HydrophobicContact CD2-CD1 4.22Å; F216-I254 HydrophobicContact CE1-CD1 4.04Å; F216-I254 HydrophobicContact CG-CD1 3.72Å
217	P	97.3	Very high	95.4	Very high	77 Å²	77	53.6 Å²	53.6	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-56.9	-33.8	173.2	-25.9	35.3	0	0	0	113.3	D213	D213-P217 WeakPolarHBondContact O-CD 3.28Å
218	T	96.7	Very high	95.5	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.264	29%	0.291	S	S	.	.	H	α-helix	trans	-75.4	-42.4	175.6	-54.7	0	0	0	0	111.2	K187 F215 F216 E220 E221	K187-T218 HydrophobicContact CB-CG2 3.65Å; K187-T218 HydrophobicContact CG-CG2 4.28Å; F215-T218 HydrophobicContact CE1-CG2 4.36Å; F215-T218 HydrophobicContact CE2-CG2 3.93Å; F215-T218 HydrophobicContact CZ-CG2 3.79Å; F215-T218 CarbonylContact O-C 3.17Å; F215-T218 WeakPolarHBondContact O-CA 3.43Å; F215-T218 VanDerWaalsContact O-CB 3.27Å; F215-T218 WeakPolarHBondContact O-CB 3.44Å; F215-T218 PolarHBondContact O-N 2.95Å; F216-T218 PolarHBondContact O-N 3.04Å; T218-E220 PolarHBondContact O-N 3.39Å; T218-E221 WeakPolarHBondContact O-CB 3.33Å; T218-E221 PolarHBondContact O-N 3.06Å
219	L	97.6	Very high	95.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-37.4	175.3	-166.6	69.4	0	0	0	111.2	L190 W212 F215 F216 E221 I222 F224 I254 I255	L190-L219 HydrophobicContact CD2-CD1 3.91Å; W212-L219 HydrophobicContact CZ3-CD2 4.27Å; F215-L219 HydrophobicContact CD1-CB 4.06Å; F215-L219 HydrophobicContact CD1-CD1 4.48Å; F215-L219 HydrophobicContact CE1-CB 4.17Å; F215-L219 HydrophobicContact CE1-CD1 4.15Å; F215-L219 PolarHBondContact O-N 3.03Å; F216-L219 HydrophobicContact CD1-CD2 4Å; F216-L219 HydrophobicContact CE1-CD2 4.4Å; F216-L219 WeakPolarHBondContact O-CB 3.02Å; F216-L219 PolarHBondContact O-N 3.45Å; F216-L219 VanDerWaalsContact O-N 3.1Å; L219-E221 PolarHBondContact O-N 3.26Å; L219-I222 HydrophobicContact CD1-CD1 4.39Å; L219-I222 PolarHBondContact O-N 2.95Å; L219-F224 HydrophobicContact CD1-CE2 4.33Å; L219-F224 HydrophobicContact CD1-CZ 3.71Å; L219-F224 HydrophobicContact CG-CZ 4.36Å; L219-I254 HydrophobicContact CB-CG2 4.32Å; L219-I254 HydrophobicContact CD2-CB 4.32Å; L219-I254 HydrophobicContact CD2-CD1 4.29Å; L219-I254 HydrophobicContact CD2-CG2 3.84Å; L219-I254 HydrophobicContact CG-CG2 3.92Å; L219-I255 HydrophobicContact CD1-CG2 4.38Å; L219-I255 HydrophobicContact CD2-CG2 4.08Å; L219-I255 HydrophobicContact CG-CG2 4.19Å
220	E	97.4	Very high	95.8	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.4	176.6	-76.8	-172.8	178.9	0	0	114.6	F216 T218 I254 R258	F216-E220 WeakPolarHBondContact O-CB 3.46Å; F216-E220 WeakPolarHBondContact O-CG 3.29Å; F216-E220 PolarHBondContact O-N 3.08Å; T218-E220 PolarHBondContact O-N 3.39Å; E220-I254 HydrophobicContact CG-CG2 3.86Å; E220-R258 VanDerWaalsContact CG-NH2 3.32Å; E220-R258 PolarHBondContact O-NE 3.26Å; E220-R258 PolarHBondContact O-NH2 2.9Å; E220-R258 IonicContact OE2-NH2 2.6Å
221	E	97.1	Very high	96	Very high	128 Å²	128	47.1 Å²	47.1	60%	0.598	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.5	177.8	-63.2	-176.3	-178	0	0	113.6	K187 T218 L219	K187-E221 HydrophobicContact CD-CB 4.35Å; K187-E221 WeakPolarHBondContact CE-O 3.44Å; K187-E221 PolarHBondContact NZ-O 3.25Å; K187-E221 IonicContact NZ-OE2 2.92Å; T218-E221 WeakPolarHBondContact O-CB 3.33Å; T218-E221 PolarHBondContact O-N 3.06Å; L219-E221 PolarHBondContact O-N 3.26Å
222	I	96.1	Very high	96.1	Very high	3 Å²	3	45 Å²	45	2%	0.015	25%	0.251	C	S	.	.			trans	-81.9	135.2	-177.3	-64.3	171.8	0	0	0	109.9	K187 L190 E191 L219 F224	K187-I222 HydrophobicContact CD-CG1 4.42Å; K187-I222 HydrophobicContact CG-CD1 4.22Å; K187-I222 HydrophobicContact CG-CG1 3.67Å; L190-I222 HydrophobicContact CB-CD1 3.84Å; L190-I222 HydrophobicContact CD2-CD1 3.83Å; L190-I222 HydrophobicContact CG-CD1 4.41Å; E191-I222 HydrophobicContact CG-CG1 4.4Å; E191-I222 HydrophobicContact CG-CG2 4.1Å; L219-I222 HydrophobicContact CD1-CD1 4.39Å; L219-I222 PolarHBondContact O-N 2.95Å; I222-F224 HydrophobicContact CB-CD2 4.19Å; I222-F224 HydrophobicContact CB-CE2 3.63Å; I222-F224 HydrophobicContact CB-CZ 4.05Å; I222-F224 HydrophobicContact CD1-CZ 4.5Å; I222-F224 HydrophobicContact CG2-CD1 4.5Å; I222-F224 HydrophobicContact CG2-CD2 3.93Å; I222-F224 HydrophobicContact CG2-CE1 4.24Å; I222-F224 HydrophobicContact CG2-CE2 3.65Å; I222-F224 HydrophobicContact CG2-CG 4.35Å; I222-F224 HydrophobicContact CG2-CZ 3.8Å; I222-F224 WeakPolarHBondContact O-CD2 3.27Å
223	D	93.5	Very high	96.1	Very high	94 Å²	94	45 Å²	45	50%	0.503	25%	0.251	S	S	.	.			trans	-84	116.8	168	-173.4	3.5	0	0	0	109.4	N225	D223-N225 VanDerWaalsContact OD1-CB 3.31Å; D223-N225 WeakPolarHBondContact OD1-CB 3.15Å; D223-N225 PolarHBondContact OD1-N 2.8Å; D223-N225 PolarHBondContact OD1-ND2 2.92Å
224	F	96.3	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.			trans	-98	5.6	179.8	-72.2	-90.6	0	0	0	113	L196 L219 I222 G226 K227 V229 I255 R258 G259 A260	L196-F224 HydrophobicContact CD1-CD1 4.26Å; L196-F224 HydrophobicContact CD1-CE1 3.72Å; L219-F224 HydrophobicContact CD1-CE2 4.33Å; L219-F224 HydrophobicContact CD1-CZ 3.71Å; L219-F224 HydrophobicContact CG-CZ 4.36Å; I222-F224 HydrophobicContact CB-CD2 4.19Å; I222-F224 HydrophobicContact CB-CE2 3.63Å; I222-F224 HydrophobicContact CB-CZ 4.05Å; I222-F224 HydrophobicContact CD1-CZ 4.5Å; I222-F224 HydrophobicContact CG2-CD1 4.5Å; I222-F224 HydrophobicContact CG2-CD2 3.93Å; I222-F224 HydrophobicContact CG2-CE1 4.24Å; I222-F224 HydrophobicContact CG2-CE2 3.65Å; I222-F224 HydrophobicContact CG2-CG 4.35Å; I222-F224 HydrophobicContact CG2-CZ 3.8Å; I222-F224 WeakPolarHBondContact O-CD2 3.27Å; F224-G226 PolarHBondContact O-N 2.83Å; F224-G226 VanDerWaalsContact O-N 3.09Å; F224-K227 HydrophobicContact CD1-CB 4.29Å; F224-K227 HydrophobicContact CD1-CD 4.08Å; F224-K227 WeakPolarHBondContact O-CB 3.39Å; F224-K227 PolarHBondContact O-N 2.84Å; F224-V229 HydrophobicContact CD1-CG2 3.99Å; F224-V229 HydrophobicContact CE1-CG2 4.3Å; F224-I255 HydrophobicContact CD1-CB 4.45Å; F224-I255 HydrophobicContact CD2-CB 4.22Å; F224-I255 HydrophobicContact CD2-CG2 4.32Å; F224-I255 HydrophobicContact CE1-CB 4.39Å; F224-I255 HydrophobicContact CE1-CG2 4.07Å; F224-I255 HydrophobicContact CE2-CB 4.14Å; F224-I255 HydrophobicContact CE2-CG2 3.74Å; F224-I255 HydrophobicContact CG-CB 4.37Å; F224-I255 HydrophobicContact CZ-CB 4.24Å; F224-I255 HydrophobicContact CZ-CG2 3.61Å; F224-R258 CarbonylContact C-O 3.49Å; F224-R258 WeakPolarHBondContact CA-O 3.35Å; F224-R258 HydrophobicContact CB-CB 4.43Å; F224-R258 WeakPolarHBondContact CB-O 3.39Å; F224-R258 HydrophobicContact CD2-CB 3.92Å; F224-R258 PolarHBondContact N-O 3.37Å; F224-R258 VanDerWaalsContact N-O 3.08Å; F224-G259 CarbonylContact O-C 3.56Å; F224-G259 VanDerWaalsContact O-O 3.09Å; F224-A260 HydrophobicContact CB-CB 3.65Å; F224-A260 VanDerWaalsContact CB-N 3.34Å; F224-A260 HydrophobicContact CD1-CB 4.08Å; F224-A260 HydrophobicContact CG-CB 4.01Å
225	N	93	Very high	96.4	Very high	114 Å²	114	35.2 Å²	35.2	61%	0.61	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	118.9	177.1	-76.3	-62.6	0	0	0	111.3	D223 K227 R258	D223-N225 VanDerWaalsContact OD1-CB 3.31Å; D223-N225 WeakPolarHBondContact OD1-CB 3.15Å; D223-N225 PolarHBondContact OD1-N 2.8Å; D223-N225 PolarHBondContact OD1-ND2 2.92Å; N225-K227 VanDerWaalsContact C-N 3.29Å; N225-R258 PolarHBondContact N-O 3.06Å
226	G	88.7	Confident	96.3	Very high	60 Å²	60	35.4 Å²	35.4	62%	0.619	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-2	-178.5	0	0	0	0	0	114.8	F224	F224-G226 PolarHBondContact O-N 2.83Å; F224-G226 VanDerWaalsContact O-N 3.09Å
227	K	92.3	Very high	96.3	Very high	17 Å²	17	34.9 Å²	34.9	7%	0.074	20%	0.202	C	C	.	.			trans	-84.9	132.7	173.5	-61.9	-170.2	-179.8	-66.9	0	110.5	E191 Y193 D194 L196 F224 N225 T261	E191-K227 PolarHBondContact O-NZ 3.12Å; Y193-K227 PolarHBondContact O-NZ 2.97Å; D194-K227 WeakPolarHBondContact O-CA 3.07Å; L196-K227 HydrophobicContact CD1-CD 4.03Å; F224-K227 HydrophobicContact CD1-CB 4.29Å; F224-K227 HydrophobicContact CD1-CD 4.08Å; F224-K227 WeakPolarHBondContact O-CB 3.39Å; F224-K227 PolarHBondContact O-N 2.84Å; N225-K227 VanDerWaalsContact C-N 3.29Å; K227-T261 PolarHBondContact O-N 3.37Å; K227-T261 VanDerWaalsContact O-N 3.11Å
228	L	94.5	Very high	96.2	Very high	52 Å²	52	37.2 Å²	37.2	27%	0.272	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.3	171.4	-60.9	174.7	0	0	0	108.1	D194 I195 L196 T261 L314	D194-L228 PolarHBondContact O-N 2.88Å; I195-L228 WeakPolarHBondContact CA-O 3.48Å; I195-L228 HydrophobicContact CG1-CB 4.5Å; L196-L228 PolarHBondContact N-O 3.37Å; L228-T261 HydrophobicContact CD2-CG2 4.01Å; L228-L314 HydrophobicContact CB-CD2 3.56Å; L228-L314 HydrophobicContact CD1-CD2 3.59Å; L228-L314 HydrophobicContact CG-CD2 4.15Å
229	V	97.3	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.2	-175.9	-170.3	0	0	0	0	110	L196 L198 F224 L231 I255 A260 T261 I262 V263	L196-V229 HydrophobicContact CB-CG1 4.25Å; L196-V229 HydrophobicContact CB-CG2 4.27Å; L196-V229 HydrophobicContact CD1-CG2 4.46Å; L196-V229 CarbonylContact O-C 3.58Å; L196-V229 VanDerWaalsContact O-CA 3.28Å; L196-V229 WeakPolarHBondContact O-CA 3.28Å; L198-V229 HydrophobicContact CD1-CG1 3.85Å; L198-V229 HydrophobicContact CG-CG1 3.9Å; F224-V229 HydrophobicContact CD1-CG2 3.99Å; F224-V229 HydrophobicContact CE1-CG2 4.3Å; V229-L231 HydrophobicContact CG1-CD2 3.89Å; V229-I255 HydrophobicContact CB-CD1 3.95Å; V229-I255 HydrophobicContact CG1-CD1 3.6Å; V229-I255 HydrophobicContact CG2-CD1 4.23Å; V229-A260 HydrophobicContact CG2-CB 3.89Å; V229-T261 PolarHBondContact N-O 2.94Å; V229-I262 CarbonylContact O-C 3.48Å; V229-I262 VanDerWaalsContact O-CA 3.22Å; V229-I262 WeakPolarHBondContact O-CA 3.34Å; V229-V263 PolarHBondContact O-N 3.47Å
230	A	98.3	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.2	167.3	0	0	0	0	0	110	L196 L197 L198 V263 W306 I310	L196-A230 PolarHBondContact O-N 3.31Å; L197-A230 CarbonylContact C-O 3.35Å; L197-A230 VanDerWaalsContact CA-O 3.28Å; L197-A230 WeakPolarHBondContact CA-O 3.46Å; L197-A230 HydrophobicContact CD2-CB 3.36Å; L198-A230 PolarHBondContact N-O 3.22Å; A230-V263 WeakPolarHBondContact CA-O 3.29Å; A230-V263 HydrophobicContact CB-CG2 3.84Å; A230-V263 WeakPolarHBondContact CB-O 2.97Å; A230-W306 HydrophobicContact CB-CH2 3.77Å; A230-W306 HydrophobicContact CB-CZ2 3.63Å; A230-I310 HydrophobicContact CB-CG2 4.17Å
231	L	98.8	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.2	-175.7	-53.9	-179.3	0	0	0	110.3	L198 V229 L248 I251 R252 I255 I262 V286 G287 L288 W306	L198-L231 HydrophobicContact CB-CD2 3.79Å; L198-L231 HydrophobicContact CD1-CD2 4.21Å; L198-L231 HydrophobicContact CG-CD2 4.26Å; L198-L231 WeakPolarHBondContact O-CA 3.35Å; V229-L231 HydrophobicContact CG1-CD2 3.89Å; L231-L248 HydrophobicContact CB-CD2 3.8Å; L231-I251 HydrophobicContact CD1-CB 4.45Å; L231-I251 HydrophobicContact CD1-CG2 4.17Å; L231-I251 HydrophobicContact CD2-CB 4.41Å; L231-I251 HydrophobicContact CD2-CG2 3.56Å; L231-R252 HydrophobicContact CD1-CB 4.39Å; L231-I255 HydrophobicContact CD2-CD1 4.15Å; L231-I262 HydrophobicContact CD1-CD1 4.44Å; L231-V286 HydrophobicContact CD1-CG1 4.39Å; L231-G287 CarbonylContact O-C 3.53Å; L231-G287 WeakPolarHBondContact O-CA 3.4Å; L231-L288 PolarHBondContact O-N 3.49Å; L231-W306 WeakPolarHBondContact O-CZ2 3.45Å
232	F	98.8	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.4	167.9	65.6	-82.4	0	0	0	110	I152 F154 T161 I164 A165 I168 L197 L198 G199 I200 L288 W306	I152-F232 HydrophobicContact CG2-CE1 4.02Å; I152-F232 HydrophobicContact CG2-CZ 4.03Å; F154-F232 HydrophobicContact CB-CZ 4.41Å; T161-F232 HydrophobicContact CG2-CD2 4.32Å; T161-F232 HydrophobicContact CG2-CE2 3.82Å; I164-F232 HydrophobicContact CB-CD2 4.24Å; I164-F232 HydrophobicContact CB-CE2 4.18Å; I164-F232 HydrophobicContact CG2-CD2 3.64Å; I164-F232 HydrophobicContact CG2-CE2 3.96Å; A165-F232 HydrophobicContact CB-CE2 4.22Å; A165-F232 HydrophobicContact CB-CZ 3.86Å; I168-F232 HydrophobicContact CD1-CD1 3.84Å; I168-F232 HydrophobicContact CD1-CD2 4.04Å; I168-F232 HydrophobicContact CD1-CE1 3.94Å; I168-F232 HydrophobicContact CD1-CE2 4.12Å; I168-F232 HydrophobicContact CD1-CG 3.89Å; I168-F232 HydrophobicContact CD1-CZ 4.06Å; L197-F232 HydrophobicContact CB-CE1 4.21Å; L198-F232 PolarHBondContact O-N 2.84Å; G199-F232 CarbonylContact C-O 3.58Å; G199-F232 VanDerWaalsContact CA-CE1 3.41Å; G199-F232 VanDerWaalsContact CA-CE2 3.42Å; G199-F232 VanDerWaalsContact CA-O 3.24Å; G199-F232 WeakPolarHBondContact CA-O 3.38Å; I200-F232 PolarHBondContact N-O 3.12Å; F232-L288 CarbonylContact C-O 3.53Å; F232-L288 VanDerWaalsContact CA-O 3.29Å; F232-L288 WeakPolarHBondContact CA-O 3.47Å; F232-L288 HydrophobicContact CB-CB 3.87Å; F232-L288 HydrophobicContact CB-CD2 4.43Å; F232-L288 HydrophobicContact CB-CG 4.48Å; F232-W306 HydrophobicContact CB-CH2 4.21Å; F232-W306 HydrophobicContact CB-CZ3 4.41Å; F232-W306 HydrophobicContact CD1-CH2 4.3Å; F232-W306 HydrophobicContact CD1-CZ3 4.5Å
233	G	98.5	Very high	96.2	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	154.7	-174	0	0	0	0	0	113.2	I200 L288 I290	I200-G233 WeakPolarHBondContact O-CA 3.47Å; G233-L288 PolarHBondContact N-O 2.99Å; G233-I290 PolarHBondContact O-N 2.74Å
234	C	98.2	Very high	96.4	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.4	176.4	-60.4	0	0	0	0	110.4	I200 P201 T202 I290	I200-C234 PolarHBondContact O-N 2.73Å; P201-C234 WeakPolarHBondContact CA-O 3.39Å; P201-C234 HydrophobicContact CB-CB 4.32Å; T202-C234 PolarHBondContact N-O 3.43Å; C234-I290 CarbonylContact C-O 3.53Å; C234-I290 VanDerWaalsContact CA-O 3.24Å; C234-I290 WeakPolarHBondContact CA-O 3.44Å
235	G	97.4	Very high	96.5	Very high	11 Å²	11	39.5 Å²	39.5	11%	0.113	21%	0.211	C	C	.	.			trans	-155.6	175.3	172.9	0	0	0	0	0	111.1	I290 D291	G235-I290 PolarHBondContact N-O 3.44Å; G235-D291 VanDerWaalsContact O-CA 3.31Å; G235-D291 WeakPolarHBondContact O-CA 3.2Å; G235-D291 WeakPolarHBondContact O-CB 3.22Å; G235-D291 VanDerWaalsContact O-CG 3.23Å
236	D	97.4	Very high	96.8	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.091	18%	0.182	C	C	.	.			trans	-121.3	113.1	177.6	175.5	-17.9	0	0	0	108.5	E238 D239 Y240 R294	D236-E238 VanDerWaalsContact C-N 3.3Å; D236-E238 PolarHBondContact O-N 2.61Å; D236-E238 PolarHBondContact OD1-N 2.74Å; D236-D239 PolarHBondContact OD1-N 2.88Å; D236-Y240 HydrophobicContact CB-CD2 3.98Å; D236-Y240 CarbonylContact O-C 3.59Å; D236-Y240 PolarHBondContact O-N 2.82Å; D236-R294 IonicContact OD1-CZ 3.32Å; D236-R294 IonicContact OD1-NE 3.61Å; D236-R294 PolarHBondContact OD1-NE 3.16Å; D236-R294 IonicContact OD1-NH2 3.86Å; D236-R294 PolarHBondContact OD1-NH2 2.98Å; D236-R294 IonicContact OD2-CZ 3.48Å; D236-R294 IonicContact OD2-NE 2.92Å; D236-R294 PolarHBondContact OD2-NE 3.28Å; D236-R294 IonicContact OD2-NH2 3.36Å; D236-R294 PolarHBondContact OD2-NH2 2.92Å
237	Q	97.7	Very high	97.2	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.3	-172.5	76.6	-162.4	-80.2	0	0	113.8	A241 F244 Y271 H272 F273 D291 R294 Q295	Q237-A241 VanDerWaalsContact O-CA 3.24Å; Q237-A241 WeakPolarHBondContact O-CA 3.45Å; Q237-A241 WeakPolarHBondContact O-CB 3.42Å; Q237-F244 HydrophobicContact CB-CD1 4.46Å; Q237-F244 HydrophobicContact CB-CD2 3.7Å; Q237-F244 HydrophobicContact CB-CE2 3.79Å; Q237-F244 HydrophobicContact CB-CG 4.06Å; Q237-F244 HydrophobicContact CB-CZ 4.22Å; Q237-Y271 VanDerWaalsContact OE1-CA 3.3Å; Q237-H272 VanDerWaalsContact O-O 3.13Å; Q237-F273 HydrophobicContact CB-CB 4.36Å; Q237-D291 WeakPolarHBondContact CB-OD2 3.36Å; Q237-D291 VanDerWaalsContact CG-OD2 3.26Å; Q237-D291 WeakPolarHBondContact CG-OD2 3.26Å; Q237-D291 PolarHBondContact N-OD2 2.84Å; Q237-D291 PolarHBondContact NE2-OD2 3.48Å; Q237-R294 HydrophobicContact CG-CB 4.46Å; Q237-R294 HydrophobicContact CG-CG 4.26Å; Q237-Q295 VanDerWaalsContact NE2-OE1 3.1Å
238	E	94.2	Very high	97.5	Very high	125 Å²	125	30.6 Å²	30.6	58%	0.584	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-57.9	-177.8	-66.7	-176.2	178.3	0	0	111.5	D236 Y240 R294	D236-E238 VanDerWaalsContact C-N 3.3Å; D236-E238 PolarHBondContact O-N 2.61Å; D236-E238 PolarHBondContact OD1-N 2.74Å; E238-Y240 VanDerWaalsContact C-N 3.27Å; E238-Y240 PolarHBondContact O-N 3.44Å; E238-R294 HydrophobicContact CB-CG 4.28Å; E238-R294 HydrophobicContact CG-CG 3.97Å; E238-R294 WeakPolarHBondContact OE2-CD 3.38Å; E238-R294 IonicContact OE2-CZ 2.75Å; E238-R294 IonicContact OE2-NE 3.72Å; E238-R294 IonicContact OE2-NH1 3.5Å; E238-R294 PolarHBondContact OE2-NH1 3.18Å
239	D	95.9	Very high	97.7	Very high	115 Å²	115	28.1 Å²	28.1	62%	0.615	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.1	-176.4	-75.7	-12.3	0	0	0	112.1	D236 R294	D236-D239 PolarHBondContact OD1-N 2.88Å; D239-R294 IonicContact OD1-NH2 2.69Å; D239-R294 PolarHBondContact OD1-NH2 2.92Å; D239-R294 IonicContact OD2-CZ 3.98Å; D239-R294 IonicContact OD2-NH2 2.69Å; D239-R294 PolarHBondContact OD2-NH2 3.19Å
240	Y	96.6	Very high	97.8	Very high	107 Å²	107	30 Å²	30	42%	0.42	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	38.8	179.3	-57.2	-88.6	0	0	0	111.6	Y204 D236 E238 E242 Y243 F244	Y204-Y240 WeakPolarHBondContact O-CD1 3.43Å; Y204-Y240 WeakPolarHBondContact O-CE1 3.45Å; D236-Y240 HydrophobicContact CB-CD2 3.98Å; D236-Y240 CarbonylContact O-C 3.59Å; D236-Y240 PolarHBondContact O-N 2.82Å; E238-Y240 VanDerWaalsContact C-N 3.27Å; E238-Y240 PolarHBondContact O-N 3.44Å; Y240-E242 PolarHBondContact O-N 2.76Å; Y240-E242 VanDerWaalsContact O-N 3.09Å; Y240-Y243 CarbonylContact O-C 3.39Å; Y240-Y243 PolarHBondContact O-N 2.89Å; Y240-F244 PolarHBondContact O-N 3.22Å
241	A	97	Very high	97.8	Very high	16 Å²	16	30 Å²	30	13%	0.132	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-53.9	-30.2	-176.8	0	0	0	0	0	114.9	Q237 Y243 E274 A275	Q237-A241 VanDerWaalsContact O-CA 3.24Å; Q237-A241 WeakPolarHBondContact O-CA 3.45Å; Q237-A241 WeakPolarHBondContact O-CB 3.42Å; A241-Y243 VanDerWaalsContact C-N 3.3Å; A241-E274 HydrophobicContact CB-CB 4.33Å; A241-E274 HydrophobicContact CB-CG 3.97Å; A241-E274 PolarHBondContact O-N 3.08Å; A241-A275 PolarHBondContact O-N 3.08Å; A241-A275 VanDerWaalsContact O-O 3.09Å
242	E	97.7	Very high	97.8	Very high	107 Å²	107	31.8 Å²	31.8	50%	0.5	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-78	-11.4	177.4	-68.4	179.2	-134.9	0	0	113.7	Y240 E274 A275	Y240-E242 PolarHBondContact O-N 2.76Å; Y240-E242 VanDerWaalsContact O-N 3.09Å; E242-E274 HydrophobicContact CG-CB 4.19Å; E242-E274 WeakPolarHBondContact CG-OE2 3.49Å; E242-A275 CarbonylContact C-O 3.58Å
243	Y	97.7	Very high	97.7	Very high	70 Å²	70	36.2 Å²	36.2	28%	0.275	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-132.8	19.9	-172	-51.1	-76.6	0	0	0	112.2	Y205 Y240 A241 C245 D246	Y205-Y243 HydrophobicContact CD1-CD2 4.43Å; Y205-Y243 AromaticContact CD1-CE2 3.93Å; Y205-Y243 HydrophobicContact CD1-CE2 3.93Å; Y205-Y243 VanDerWaalsContact O-CD1 3.24Å; Y205-Y243 WeakPolarHBondContact O-CD1 3.35Å; Y205-Y243 WeakPolarHBondContact O-CE1 3.44Å; Y240-Y243 CarbonylContact O-C 3.39Å; Y240-Y243 PolarHBondContact O-N 2.89Å; A241-Y243 VanDerWaalsContact C-N 3.3Å; Y243-C245 PolarHBondContact O-N 3.36Å; Y243-C245 VanDerWaalsContact O-N 3.14Å; Y243-D246 WeakPolarHBondContact O-CB 3.31Å; Y243-D246 PolarHBondContact O-N 3.33Å
244	F	98.5	Very high	97.7	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	119.6	-168.8	178.3	-117.8	0	0	0	111.1	Q237 Y240 D246 Y271 F273 A275 S276 F285 A289 D291	Q237-F244 HydrophobicContact CB-CD1 4.46Å; Q237-F244 HydrophobicContact CB-CD2 3.7Å; Q237-F244 HydrophobicContact CB-CE2 3.79Å; Q237-F244 HydrophobicContact CB-CG 4.06Å; Q237-F244 HydrophobicContact CB-CZ 4.22Å; Y240-F244 PolarHBondContact O-N 3.22Å; F244-D246 PolarHBondContact O-N 2.93Å; F244-D246 VanDerWaalsContact O-N 3.11Å; F244-Y271 AromaticContact CE1-CD1 3.6Å; F244-Y271 HydrophobicContact CE1-CD1 3.6Å; F244-Y271 HydrophobicContact CE1-CE1 4.11Å; F244-Y271 HydrophobicContact CE1-CG 4.21Å; F244-Y271 AromaticContact CZ-CD1 3.59Å; F244-Y271 HydrophobicContact CZ-CD1 3.59Å; F244-Y271 AromaticContact CZ-CE1 3.86Å; F244-Y271 HydrophobicContact CZ-CE1 3.86Å; F244-F273 HydrophobicContact CB-CB 3.8Å; F244-F273 HydrophobicContact CB-CD2 4.41Å; F244-F273 HydrophobicContact CB-CG 4.18Å; F244-F273 HydrophobicContact CD1-CB 4.14Å; F244-F273 AromaticContact CD1-CD1 3.95Å; F244-F273 HydrophobicContact CD1-CD1 3.95Å; F244-F273 HydrophobicContact CD1-CD2 4.5Å; F244-F273 AromaticContact CD1-CG 3.94Å; F244-F273 HydrophobicContact CD1-CG 3.94Å; F244-F273 HydrophobicContact CE1-CD1 4.5Å; F244-F273 HydrophobicContact CG-CB 4.15Å; F244-F273 HydrophobicContact CG-CG 4.4Å; F244-A275 PolarHBondContact N-O 3.22Å; F244-S276 WeakPolarHBondContact O-CB 3.43Å; F244-S276 PolarHBondContact O-OG 3.25Å; F244-F285 AromaticContact CD1-CE1 3.98Å; F244-F285 HydrophobicContact CD1-CE1 3.98Å; F244-F285 AromaticContact CD1-CZ 3.75Å; F244-F285 HydrophobicContact CD1-CZ 3.75Å; F244-F285 HydrophobicContact CE1-CE1 4.12Å; F244-F285 HydrophobicContact CE1-CE2 4.2Å; F244-F285 AromaticContact CE1-CZ 3.55Å; F244-F285 HydrophobicContact CE1-CZ 3.55Å; F244-A289 HydrophobicContact CE1-CB 4.13Å; F244-A289 HydrophobicContact CZ-CB 4.22Å; F244-D291 HydrophobicContact CE2-CB 4.19Å; F244-D291 HydrophobicContact CZ-CB 4.4Å
245	C	98.2	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	28.2	-178.2	-63.7	0	0	0	0	115	T202 Y243 A247 L248	T202-C245 VanDerWaalsContact OG1-C 3.23Å; T202-C245 VanDerWaalsContact OG1-CA 3.31Å; T202-C245 WeakPolarHBondContact OG1-CA 3.29Å; Y243-C245 PolarHBondContact O-N 3.36Å; Y243-C245 VanDerWaalsContact O-N 3.14Å; C245-A247 PolarHBondContact O-N 2.92Å; C245-A247 VanDerWaalsContact O-N 3.14Å; C245-L248 HydrophobicContact CB-CD1 3.91Å; C245-L248 HydrophobicContact CB-CG 4.4Å; C245-L248 WeakPolarHBondContact O-CB 3.22Å; C245-L248 PolarHBondContact O-N 3.36Å
246	D	98.6	Very high	97.7	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-51.8	-36	-179.5	-99.4	22.3	0	0	0	114.1	T202 Y243 F244 L248 G249 T250 S276 K277	T202-D246 HydrophobicContact CG2-CB 4.02Å; T202-D246 PolarHBondContact OG1-N 3.28Å; Y243-D246 WeakPolarHBondContact O-CB 3.31Å; Y243-D246 PolarHBondContact O-N 3.33Å; F244-D246 PolarHBondContact O-N 2.93Å; F244-D246 VanDerWaalsContact O-N 3.11Å; D246-L248 PolarHBondContact O-N 3.33Å; D246-L248 VanDerWaalsContact O-N 3.17Å; D246-G249 WeakPolarHBondContact O-CA 3.37Å; D246-G249 PolarHBondContact O-N 3.21Å; D246-T250 PolarHBondContact O-N 3.26Å; D246-S276 WeakPolarHBondContact OD1-CA 3.31Å; D246-K277 HydrophobicContact CB-CB 4.24Å; D246-K277 PolarHBondContact OD1-N 2.99Å; D246-K277 WeakPolarHBondContact OD2-CD 3.37Å; D246-K277 WeakPolarHBondContact OD2-CE 3.38Å; D246-K277 WeakPolarHBondContact OD2-CG 3.44Å; D246-K277 IonicContact OD2-NZ 3.95Å; D246-K277 PolarHBondContact OD2-NZ 3.28Å
247	A	98.4	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-20.3	-175.2	0	0	0	0	0	113.7	I200 T202 C245 G249 T250 I251	I200-A247 HydrophobicContact CD1-CB 3.76Å; I200-A247 HydrophobicContact CG1-CB 3.72Å; I200-A247 HydrophobicContact CG2-CB 4.19Å; T202-A247 WeakPolarHBondContact OG1-CB 3.22Å; T202-A247 PolarHBondContact OG1-N 3Å; C245-A247 PolarHBondContact O-N 2.92Å; C245-A247 VanDerWaalsContact O-N 3.14Å; A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 2.74Å; A247-T250 WeakPolarHBondContact O-CB 3.4Å; A247-T250 PolarHBondContact O-N 3.27Å; A247-I251 PolarHBondContact O-N 2.87Å; A247-I251 VanDerWaalsContact O-N 3.16Å
248	L	98.7	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-42.9	168.3	-70	176.1	0	0	0	111.1	I200 L231 C245 D246 T250 I251 R252	I200-L248 HydrophobicContact CG2-CD2 4.17Å; L231-L248 HydrophobicContact CB-CD2 3.8Å; C245-L248 HydrophobicContact CB-CD1 3.91Å; C245-L248 HydrophobicContact CB-CG 4.4Å; C245-L248 WeakPolarHBondContact O-CB 3.22Å; C245-L248 PolarHBondContact O-N 3.36Å; D246-L248 PolarHBondContact O-N 3.33Å; D246-L248 VanDerWaalsContact O-N 3.17Å; L248-T250 VanDerWaalsContact C-N 3.34Å; L248-I251 PolarHBondContact O-N 3.07Å; L248-R252 PolarHBondContact O-N 2.88Å
249	G	98.5	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-39.1	177.1	0	0	0	0	0	112.2	D246 A247 I251 R252 D253 K277	D246-G249 WeakPolarHBondContact O-CA 3.37Å; D246-G249 PolarHBondContact O-N 3.21Å; A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 2.74Å; G249-I251 VanDerWaalsContact C-N 3.35Å; G249-I251 PolarHBondContact O-N 2.75Å; G249-R252 WeakPolarHBondContact O-CB 3.36Å; G249-R252 PolarHBondContact O-N 2.98Å; G249-R252 PolarHBondContact O-NH2 3.15Å; G249-D253 WeakPolarHBondContact O-CB 3.49Å; G249-D253 PolarHBondContact O-N 3.04Å; G249-K277 VanDerWaalsContact CA-O 3.31Å; G249-K277 WeakPolarHBondContact CA-O 3.21Å
250	T	98.2	Very high	97.8	Very high	40 Å²	40	38.3 Å²	38.3	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-45.2	175.6	-53.4	0	0	0	0	111.7	F216 D246 A247 L248 I254	F216-T250 HydrophobicContact CE2-CG2 3.68Å; F216-T250 HydrophobicContact CZ-CG2 3.73Å; D246-T250 PolarHBondContact O-N 3.26Å; A247-T250 WeakPolarHBondContact O-CB 3.4Å; A247-T250 PolarHBondContact O-N 3.27Å; L248-T250 VanDerWaalsContact C-N 3.34Å; T250-I254 WeakPolarHBondContact O-CG1 3.35Å; T250-I254 PolarHBondContact O-N 2.92Å
251	I	98.5	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-48.3	175.7	-69.9	-170.6	0	0	0	111	L198 I200 W212 F216 L231 A247 L248 G249 D253 I254 I255	L198-I251 HydrophobicContact CB-CD1 4.17Å; L198-I251 HydrophobicContact CD1-CG2 3.88Å; I200-I251 HydrophobicContact CB-CD1 3.69Å; I200-I251 HydrophobicContact CB-CG1 4.5Å; I200-I251 HydrophobicContact CD1-CD1 3.8Å; I200-I251 HydrophobicContact CD1-CG1 3.84Å; I200-I251 HydrophobicContact CG1-CD1 4.34Å; I200-I251 HydrophobicContact CG2-CD1 3.53Å; I200-I251 HydrophobicContact CG2-CG1 4.1Å; W212-I251 HydrophobicContact CD2-CD1 4.29Å; W212-I251 HydrophobicContact CE3-CD1 4.19Å; W212-I251 HydrophobicContact CH2-CD1 4Å; W212-I251 HydrophobicContact CZ2-CD1 4.08Å; W212-I251 HydrophobicContact CZ3-CD1 4.05Å; F216-I251 HydrophobicContact CE1-CG1 4.14Å; L231-I251 HydrophobicContact CD1-CB 4.45Å; L231-I251 HydrophobicContact CD1-CG2 4.17Å; L231-I251 HydrophobicContact CD2-CB 4.41Å; L231-I251 HydrophobicContact CD2-CG2 3.56Å; A247-I251 PolarHBondContact O-N 2.87Å; A247-I251 VanDerWaalsContact O-N 3.16Å; L248-I251 PolarHBondContact O-N 3.07Å; G249-I251 VanDerWaalsContact C-N 3.35Å; G249-I251 PolarHBondContact O-N 2.75Å; I251-D253 VanDerWaalsContact C-N 3.29Å; I251-D253 PolarHBondContact O-N 3.31Å; I251-I254 PolarHBondContact O-N 3.28Å; I251-I255 HydrophobicContact CG2-CD1 3.9Å; I251-I255 HydrophobicContact CG2-CG1 4.33Å; I251-I255 HydrophobicContact CG2-CG2 4.12Å; I251-I255 WeakPolarHBondContact O-CG1 3.48Å; I251-I255 PolarHBondContact O-N 3Å
252	R	98.4	Very high	97.8	Very high	38 Å²	38	37.2 Å²	37.2	14%	0.143	20%	0.195	C	C	.	.	H	α-helix	trans	-50.2	-50.8	177.6	174.4	-158.5	58.7	-123.9	-10.7	111	L231 L248 G249 I254 I255 E256 I262 K277 L279 V286	L231-R252 HydrophobicContact CD1-CB 4.39Å; L248-R252 PolarHBondContact O-N 2.88Å; G249-R252 WeakPolarHBondContact O-CB 3.36Å; G249-R252 PolarHBondContact O-N 2.98Å; G249-R252 PolarHBondContact O-NH2 3.15Å; R252-I254 PolarHBondContact O-N 3.28Å; R252-I254 VanDerWaalsContact O-N 3.15Å; R252-I255 PolarHBondContact O-N 3.29Å; R252-E256 HydrophobicContact CG-CB 4.4Å; R252-E256 WeakPolarHBondContact CG-OE2 3.45Å; R252-E256 VanDerWaalsContact O-CB 3.28Å; R252-E256 WeakPolarHBondContact O-CB 3.26Å; R252-E256 PolarHBondContact O-N 2.87Å; R252-I262 HydrophobicContact CB-CD1 4.01Å; R252-I262 HydrophobicContact CG-CD1 3.67Å; R252-K277 PolarHBondContact NH1-O 3.19Å; R252-K277 PolarHBondContact NH2-O 3.38Å; R252-L279 PolarHBondContact NH1-O 3Å; R252-V286 HydrophobicContact CB-CG1 4.24Å; R252-V286 HydrophobicContact CG-CG1 4.06Å
253	D	98.3	Very high	97.7	Very high	92 Å²	92	33 Å²	33	49%	0.492	18%	0.177	S	C	.	.	H	α-helix	trans	-63.6	-22.7	-175.9	-65.3	-9.8	0	0	0	112.7	G249 I251 P257	G249-D253 WeakPolarHBondContact O-CB 3.49Å; G249-D253 PolarHBondContact O-N 3.04Å; I251-D253 VanDerWaalsContact C-N 3.29Å; I251-D253 PolarHBondContact O-N 3.31Å; D253-P257 WeakPolarHBondContact O-CD 3.38Å; D253-P257 WeakPolarHBondContact O-CG 3.15Å
254	I	98.2	Very high	97.7	Very high	15 Å²	15	29.7 Å²	29.7	8%	0.077	16%	0.164	C	C	.	.	H	α-helix	trans	-83.3	-49.3	173.5	-65.3	167.3	0	0	0	111.1	F216 L219 E220 T250 I251 R252 R258	F216-I254 HydrophobicContact CB-CD1 4.08Å; F216-I254 HydrophobicContact CD1-CD1 3.61Å; F216-I254 HydrophobicContact CD2-CD1 4.22Å; F216-I254 HydrophobicContact CE1-CD1 4.04Å; F216-I254 HydrophobicContact CG-CD1 3.72Å; L219-I254 HydrophobicContact CB-CG2 4.32Å; L219-I254 HydrophobicContact CD2-CB 4.32Å; L219-I254 HydrophobicContact CD2-CD1 4.29Å; L219-I254 HydrophobicContact CD2-CG2 3.84Å; L219-I254 HydrophobicContact CG-CG2 3.92Å; E220-I254 HydrophobicContact CG-CG2 3.86Å; T250-I254 WeakPolarHBondContact O-CG1 3.35Å; T250-I254 PolarHBondContact O-N 2.92Å; I251-I254 PolarHBondContact O-N 3.28Å; R252-I254 PolarHBondContact O-N 3.28Å; R252-I254 VanDerWaalsContact O-N 3.15Å; I254-R258 WeakPolarHBondContact O-CD 3.27Å; I254-R258 PolarHBondContact O-NH1 3.1Å
255	I	98.2	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-86.1	-33.9	-166.5	68.4	175.4	0	0	0	113.6	L219 F224 V229 L231 I251 R252 R258 G259 A260 I262	L219-I255 HydrophobicContact CD1-CG2 4.38Å; L219-I255 HydrophobicContact CD2-CG2 4.08Å; L219-I255 HydrophobicContact CG-CG2 4.19Å; F224-I255 HydrophobicContact CD1-CB 4.45Å; F224-I255 HydrophobicContact CD2-CB 4.22Å; F224-I255 HydrophobicContact CD2-CG2 4.32Å; F224-I255 HydrophobicContact CE1-CB 4.39Å; F224-I255 HydrophobicContact CE1-CG2 4.07Å; F224-I255 HydrophobicContact CE2-CB 4.14Å; F224-I255 HydrophobicContact CE2-CG2 3.74Å; F224-I255 HydrophobicContact CG-CB 4.37Å; F224-I255 HydrophobicContact CZ-CB 4.24Å; F224-I255 HydrophobicContact CZ-CG2 3.61Å; V229-I255 HydrophobicContact CB-CD1 3.95Å; V229-I255 HydrophobicContact CG1-CD1 3.6Å; V229-I255 HydrophobicContact CG2-CD1 4.23Å; L231-I255 HydrophobicContact CD2-CD1 4.15Å; I251-I255 HydrophobicContact CG2-CD1 3.9Å; I251-I255 HydrophobicContact CG2-CG1 4.33Å; I251-I255 HydrophobicContact CG2-CG2 4.12Å; I251-I255 WeakPolarHBondContact O-CG1 3.48Å; I251-I255 PolarHBondContact O-N 3Å; R252-I255 PolarHBondContact O-N 3.29Å; I255-R258 CarbonylContact O-C 3.53Å; I255-R258 WeakPolarHBondContact O-CA 3.41Å; I255-R258 WeakPolarHBondContact O-CB 3.27Å; I255-R258 PolarHBondContact O-N 2.86Å; I255-G259 PolarHBondContact O-N 3.41Å; I255-A260 HydrophobicContact CB-CB 3.81Å; I255-A260 HydrophobicContact CD1-CB 4.02Å; I255-A260 HydrophobicContact CG1-CB 3.81Å; I255-A260 VanDerWaalsContact O-CB 3.28Å; I255-A260 WeakPolarHBondContact O-CB 3.42Å; I255-A260 PolarHBondContact O-N 3.25Å; I255-I262 HydrophobicContact CD1-CD1 4.08Å; I255-I262 HydrophobicContact CD1-CG1 4.07Å; I255-I262 HydrophobicContact CG1-CD1 4.17Å; I255-I262 HydrophobicContact CG1-CG1 4.48Å
256	E	96.8	Very high	97.7	Very high	108 Å²	108	34.1 Å²	34.1	51%	0.505	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-66.8	-44.1	-174.1	-171.1	178.6	-163.3	0	0	112.1	R252 R258 G259 I262	R252-E256 HydrophobicContact CG-CB 4.4Å; R252-E256 WeakPolarHBondContact CG-OE2 3.45Å; R252-E256 VanDerWaalsContact O-CB 3.28Å; R252-E256 WeakPolarHBondContact O-CB 3.26Å; R252-E256 PolarHBondContact O-N 2.87Å; E256-R258 PolarHBondContact O-N 3.3Å; E256-G259 PolarHBondContact O-N 2.79Å; E256-I262 HydrophobicContact CB-CD1 4.25Å
257	P	97.5	Very high	97.7	Very high	103 Å²	103	36.2 Å²	36.2	67%	0.669	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-62.6	-14.8	172.9	-22.9	35.7	0	0	0	114.2	D253	D253-P257 WeakPolarHBondContact O-CD 3.38Å; D253-P257 WeakPolarHBondContact O-CG 3.15Å
258	R	97.4	Very high	97.7	Very high	72 Å²	72	37.3 Å²	37.3	27%	0.272	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-98.3	10.4	179.3	-65.5	174	171.9	78	-2.5	112.9	E220 F224 N225 I254 I255 E256	E220-R258 VanDerWaalsContact CG-NH2 3.32Å; E220-R258 PolarHBondContact O-NE 3.26Å; E220-R258 PolarHBondContact O-NH2 2.9Å; E220-R258 IonicContact OE2-NH2 2.6Å; F224-R258 CarbonylContact C-O 3.49Å; F224-R258 WeakPolarHBondContact CA-O 3.35Å; F224-R258 HydrophobicContact CB-CB 4.43Å; F224-R258 WeakPolarHBondContact CB-O 3.39Å; F224-R258 HydrophobicContact CD2-CB 3.92Å; F224-R258 PolarHBondContact N-O 3.37Å; F224-R258 VanDerWaalsContact N-O 3.08Å; N225-R258 PolarHBondContact N-O 3.06Å; I254-R258 WeakPolarHBondContact O-CD 3.27Å; I254-R258 PolarHBondContact O-NH1 3.1Å; I255-R258 CarbonylContact O-C 3.53Å; I255-R258 WeakPolarHBondContact O-CA 3.41Å; I255-R258 WeakPolarHBondContact O-CB 3.27Å; I255-R258 PolarHBondContact O-N 2.86Å; E256-R258 PolarHBondContact O-N 3.3Å
259	G	95.8	Very high	97.7	Very high	24 Å²	24	41 Å²	41	25%	0.247	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	5.3	171.2	0	0	0	0	0	115	F224 I255 E256 T261	F224-G259 CarbonylContact O-C 3.56Å; F224-G259 VanDerWaalsContact O-O 3.09Å; I255-G259 PolarHBondContact O-N 3.41Å; E256-G259 PolarHBondContact O-N 2.79Å; G259-T261 PolarHBondContact O-N 3.15Å
260	A	96.8	Very high	97.6	Very high	8 Å²	8	43.2 Å²	43.2	7%	0.066	26%	0.258	C	S	.	.			trans	-61.3	132.7	174.5	0	0	0	0	0	110.1	F224 V229 I255	F224-A260 HydrophobicContact CB-CB 3.65Å; F224-A260 VanDerWaalsContact CB-N 3.34Å; F224-A260 HydrophobicContact CD1-CB 4.08Å; F224-A260 HydrophobicContact CG-CB 4.01Å; V229-A260 HydrophobicContact CG2-CB 3.89Å; I255-A260 HydrophobicContact CB-CB 3.81Å; I255-A260 HydrophobicContact CD1-CB 4.02Å; I255-A260 HydrophobicContact CG1-CB 3.81Å; I255-A260 VanDerWaalsContact O-CB 3.28Å; I255-A260 WeakPolarHBondContact O-CB 3.42Å; I255-A260 PolarHBondContact O-N 3.25Å
261	T	95.8	Very high	97.6	Very high	76 Å²	76	42 Å²	42	47%	0.466	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.4	167.4	-59.6	0	0	0	0	107.9	K227 L228 V229 G259	K227-T261 PolarHBondContact O-N 3.37Å; K227-T261 VanDerWaalsContact O-N 3.11Å; L228-T261 HydrophobicContact CD2-CG2 4.01Å; V229-T261 PolarHBondContact N-O 2.94Å; G259-T261 PolarHBondContact O-N 3.15Å
262	I	97.1	Very high	97.5	Very high	24 Å²	24	49.3 Å²	49.3	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.2	-179.1	-58	169.8	0	0	0	110.2	V229 L231 R252 I255 E256 V286	V229-I262 CarbonylContact O-C 3.48Å; V229-I262 VanDerWaalsContact O-CA 3.22Å; V229-I262 WeakPolarHBondContact O-CA 3.34Å; L231-I262 HydrophobicContact CD1-CD1 4.44Å; R252-I262 HydrophobicContact CB-CD1 4.01Å; R252-I262 HydrophobicContact CG-CD1 3.67Å; I255-I262 HydrophobicContact CD1-CD1 4.08Å; I255-I262 HydrophobicContact CD1-CG1 4.07Å; I255-I262 HydrophobicContact CG1-CD1 4.17Å; I255-I262 HydrophobicContact CG1-CG1 4.48Å; E256-I262 HydrophobicContact CB-CD1 4.25Å; I262-V286 HydrophobicContact CD1-CG1 4.09Å; I262-V286 HydrophobicContact CG2-CG1 3.9Å
263	V	96.3	Very high	97.5	Very high	19 Å²	19	50 Å²	50	12%	0.115	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	168.4	176.7	-61.4	0	0	0	0	109.9	V229 A230 E313 L314	V229-V263 PolarHBondContact O-N 3.47Å; A230-V263 WeakPolarHBondContact CA-O 3.29Å; A230-V263 HydrophobicContact CB-CG2 3.84Å; A230-V263 WeakPolarHBondContact CB-O 2.97Å; V263-E313 HydrophobicContact CB-CB 4.47Å; V263-E313 WeakPolarHBondContact CB-OE2 3.33Å; V263-L314 HydrophobicContact CG2-CD2 3.69Å; V263-L314 HydrophobicContact CG2-CG 4.1Å
264	G	97.3	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.			trans	77.8	34.2	176.4	0	0	0	0	0	114	W266 W306 E313	G264-W266 PolarHBondContact O-N 2.59Å; G264-W306 PolarHBondContact O-NE1 3.1Å; G264-E313 WeakPolarHBondContact CA-OE2 3.5Å; G264-E313 PolarHBondContact N-OE2 2.93Å
265	H	98.3	Very high	97.4	Very high	74 Å²	74	54 Å²	54	34%	0.343	31%	0.31	S	S	.	.			trans	-55.3	135.2	170.1	-68	160.9	0	0	0	110.6	H284 F285 Q309	H265-H284 HydrophobicContact CB-CB 4.24Å; H265-F285 CarbonylContact C-O 3.52Å; H265-F285 VanDerWaalsContact CA-O 3.29Å; H265-F285 WeakPolarHBondContact CA-O 3.44Å; H265-Q309 PolarHBondContact O-NE2 2.84Å
266	W	98.6	Very high	97.4	Very high	20 Å²	20	54.8 Å²	54.8	8%	0.076	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.6	-169.1	-175.1	-108.6	0	0	0	111.5	G264 Y271 H284 F285 G287 L288 R302 K305 W306	G264-W266 PolarHBondContact O-N 2.59Å; W266-Y271 AromaticContact NE1-CE2 3.78Å; W266-Y271 AromaticContact NE1-CZ 3.79Å; W266-Y271 PolarHBondContact NE1-OH 2.86Å; W266-H284 CarbonylContact O-C 3.5Å; W266-H284 VanDerWaalsContact O-CA 3.26Å; W266-H284 WeakPolarHBondContact O-CA 3.48Å; W266-F285 HydrophobicContact CB-CB 4.5Å; W266-F285 PolarHBondContact N-O 2.62Å; W266-F285 PolarHBondContact O-N 2.83Å; W266-G287 VanDerWaalsContact CB-O 3.27Å; W266-G287 WeakPolarHBondContact CB-O 3.24Å; W266-L288 HydrophobicContact CD2-CD1 3.76Å; W266-L288 HydrophobicContact CE3-CD1 4.29Å; W266-L288 HydrophobicContact CG-CD1 4.07Å; W266-L288 HydrophobicContact CZ2-CD1 4.18Å; W266-R302 HydrophobicContact CZ2-CB 4.02Å; W266-R302 HydrophobicContact CZ2-CG 3.9Å; W266-K305 HydrophobicContact CH2-CB 3.83Å; W266-K305 HydrophobicContact CH2-CD 4.48Å; W266-K305 HydrophobicContact CZ3-CB 4.17Å; W266-W306 HydrophobicContact CE3-CB 4.09Å; W266-W306 AromaticContact CE3-CD1 3.61Å; W266-W306 HydrophobicContact CE3-CG 4.23Å; W266-W306 HydrophobicContact CZ3-CB 3.89Å; W266-W306 HydrophobicContact CZ3-CG 4.5Å
267	P	98.4	Very high	97.5	Very high	47 Å²	47	54.9 Å²	54.9	31%	0.305	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	141.5	-176.4	24.5	-36.1	0	0	0	113.2	A269 D283	P267-A269 HydrophobicContact CB-CB 4.35Å; P267-A269 PolarHBondContact O-N 2.75Å; P267-D283 CarbonylContact C-O 3.55Å; P267-D283 WeakPolarHBondContact CA-O 3.34Å
268	T	98.4	Very high	97.5	Very high	23 Å²	23	50 Å²	50	14%	0.141	28%	0.282	C	S	.	.			trans	-75.9	-8.3	170.7	60.5	0	0	0	0	112.6	G270 Y271 F273 L279 D283 F285	T268-G270 PolarHBondContact O-N 2.9Å; T268-Y271 WeakPolarHBondContact O-CD2 3.29Å; T268-Y271 PolarHBondContact O-N 3.1Å; T268-F273 HydrophobicContact CG2-CE1 4.47Å; T268-F273 HydrophobicContact CG2-CZ 4.17Å; T268-L279 HydrophobicContact CG2-CD2 3.47Å; T268-L279 VanDerWaalsContact CG2-CD2 3.47Å; T268-D283 PolarHBondContact N-O 2.6Å; T268-D283 PolarHBondContact OG1-O 3.28Å; T268-D283 VanDerWaalsContact OG1-O 3.12Å; T268-F285 HydrophobicContact CG2-CD1 4.48Å; T268-F285 HydrophobicContact CG2-CD2 4Å; T268-F285 HydrophobicContact CG2-CE1 4.31Å; T268-F285 HydrophobicContact CG2-CE2 3.84Å; T268-F285 HydrophobicContact CG2-CG 4.33Å; T268-F285 HydrophobicContact CG2-CZ 3.98Å
269	A	98	Very high	97.6	Very high	78 Å²	78	49 Å²	49	65%	0.645	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	128.7	177.3	0	0	0	0	0	111.9	P267	P267-A269 HydrophobicContact CB-CB 4.35Å; P267-A269 PolarHBondContact O-N 2.75Å
270	G	97.4	Very high	97.6	Very high	47 Å²	47	49.9 Å²	49.9	49%	0.485	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	6.9	-179.2	0	0	0	0	0	114.7	T268 Q295	T268-G270 PolarHBondContact O-N 2.9Å; G270-Q295 PolarHBondContact O-NE2 2.85Å
271	Y	98.1	Very high	97.6	Very high	13 Å²	13	53.1 Å²	53.1	5%	0.051	30%	0.303	C	S	.	.			trans	-112.5	152.4	170.3	-56.4	-98.5	0	0	0	110.6	Q237 F244 W266 T268 F285 A289 R302	Q237-Y271 VanDerWaalsContact OE1-CA 3.3Å; F244-Y271 AromaticContact CE1-CD1 3.6Å; F244-Y271 HydrophobicContact CE1-CD1 3.6Å; F244-Y271 HydrophobicContact CE1-CE1 4.11Å; F244-Y271 HydrophobicContact CE1-CG 4.21Å; F244-Y271 AromaticContact CZ-CD1 3.59Å; F244-Y271 HydrophobicContact CZ-CD1 3.59Å; F244-Y271 AromaticContact CZ-CE1 3.86Å; F244-Y271 HydrophobicContact CZ-CE1 3.86Å; W266-Y271 AromaticContact NE1-CE2 3.78Å; W266-Y271 AromaticContact NE1-CZ 3.79Å; W266-Y271 PolarHBondContact NE1-OH 2.86Å; T268-Y271 WeakPolarHBondContact O-CD2 3.29Å; T268-Y271 PolarHBondContact O-N 3.1Å; Y271-F285 AromaticContact CD2-CE2 3.91Å; Y271-F285 HydrophobicContact CD2-CE2 3.91Å; Y271-F285 HydrophobicContact CE2-CE2 4.08Å; Y271-F285 HydrophobicContact CG-CE2 4.19Å; Y271-A289 HydrophobicContact CE1-CB 4.14Å; Y271-A289 PolarHBondContact OH-O 3.01Å; Y271-R302 VanDerWaalsContact CE1-CZ 3.46Å; Y271-R302 VanDerWaalsContact CE1-NH1 3.28Å; Y271-R302 VanDerWaalsContact CZ-NH2 3.3Å; Y271-R302 WeakPolarHBondContact OH-CD 3.48Å; Y271-R302 PolarHBondContact OH-NE 2.74Å; Y271-R302 VanDerWaalsContact OH-NE 3.1Å; Y271-R302 PolarHBondContact OH-NH1 3.09Å
272	H	96.8	Very high	97.7	Very high	155 Å²	155	56.6 Å²	56.6	72%	0.718	32%	0.319	S	S	*	.			trans	-130.1	96.6	177	-64.2	-52.3	0	0	0	109.1	Q237	Q237-H272 VanDerWaalsContact O-O 3.13Å
273	F	97.4	Very high	97.7	Very high	52 Å²	52	60.6 Å²	60.6	23%	0.228	34%	0.341	C	S	.	.			trans	-138	165.3	-179	62.7	-82	0	0	0	109.7	Q237 F244 T268 L279 F285	Q237-F273 HydrophobicContact CB-CB 4.36Å; F244-F273 HydrophobicContact CB-CB 3.8Å; F244-F273 HydrophobicContact CB-CD2 4.41Å; F244-F273 HydrophobicContact CB-CG 4.18Å; F244-F273 HydrophobicContact CD1-CB 4.14Å; F244-F273 AromaticContact CD1-CD1 3.95Å; F244-F273 HydrophobicContact CD1-CD1 3.95Å; F244-F273 HydrophobicContact CD1-CD2 4.5Å; F244-F273 AromaticContact CD1-CG 3.94Å; F244-F273 HydrophobicContact CD1-CG 3.94Å; F244-F273 HydrophobicContact CE1-CD1 4.5Å; F244-F273 HydrophobicContact CG-CB 4.15Å; F244-F273 HydrophobicContact CG-CG 4.4Å; T268-F273 HydrophobicContact CG2-CE1 4.47Å; T268-F273 HydrophobicContact CG2-CZ 4.17Å; F273-L279 HydrophobicContact CE2-CD1 4.38Å; F273-L279 HydrophobicContact CE2-CD2 4.39Å; F273-L279 HydrophobicContact CZ-CD2 4.04Å; F273-F285 HydrophobicContact CD1-CZ 4.2Å; F273-F285 HydrophobicContact CE1-CE1 4.16Å; F273-F285 HydrophobicContact CE1-CE2 4.47Å; F273-F285 AromaticContact CE1-CZ 3.54Å; F273-F285 HydrophobicContact CE1-CZ 3.54Å; F273-F285 HydrophobicContact CE2-CE1 4.41Å; F273-F285 AromaticContact CZ-CE1 3.92Å; F273-F285 HydrophobicContact CZ-CE1 3.92Å; F273-F285 AromaticContact CZ-CZ 3.76Å; F273-F285 HydrophobicContact CZ-CZ 3.76Å
274	E	97.6	Very high	97.8	Very high	147 Å²	147	62.9 Å²	62.9	69%	0.687	35%	0.35	S	S	*	.	S	Bend	trans	-93.3	-41.4	-179.9	-65.9	-170.2	-172.4	0	0	112.3	A241 E242	A241-E274 HydrophobicContact CB-CB 4.33Å; A241-E274 HydrophobicContact CB-CG 3.97Å; A241-E274 PolarHBondContact O-N 3.08Å; E242-E274 HydrophobicContact CG-CB 4.19Å; E242-E274 WeakPolarHBondContact CG-OE2 3.49Å
275	A	97.6	Very high	97.9	Very high	45 Å²	45	62.9 Å²	62.9	37%	0.372	35%	0.35	S	S	.	.			trans	-154.4	157.7	178.3	0	0	0	0	0	112	A241 E242 F244	A241-A275 PolarHBondContact O-N 3.08Å; A241-A275 VanDerWaalsContact O-O 3.09Å; E242-A275 CarbonylContact C-O 3.58Å; F244-A275 PolarHBondContact N-O 3.22Å
276	S	98.4	Very high	97.9	Very high	16 Å²	16	59.4 Å²	59.4	11%	0.112	33%	0.334	C	S	.	.			trans	-155.5	129.6	173.9	176.1	0	0	0	0	110.4	F244 D246 G278 L279	F244-S276 WeakPolarHBondContact O-CB 3.43Å; F244-S276 PolarHBondContact O-OG 3.25Å; D246-S276 WeakPolarHBondContact OD1-CA 3.31Å; S276-G278 PolarHBondContact O-N 3.04Å; S276-G278 WeakPolarHBondContact OG-CA 3.49Å; S276-G278 PolarHBondContact OG-N 3.35Å; S276-L279 WeakPolarHBondContact O-CG 3.47Å
277	K	98.3	Very high	97.9	Very high	109 Å²	109	58.5 Å²	58.5	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.7	166.2	-62.4	-175	-166.6	107.5	0	112.1	D246 G249 R252 L279	D246-K277 HydrophobicContact CB-CB 4.24Å; D246-K277 PolarHBondContact OD1-N 2.99Å; D246-K277 WeakPolarHBondContact OD2-CD 3.37Å; D246-K277 WeakPolarHBondContact OD2-CE 3.38Å; D246-K277 WeakPolarHBondContact OD2-CG 3.44Å; D246-K277 IonicContact OD2-NZ 3.95Å; D246-K277 PolarHBondContact OD2-NZ 3.28Å; G249-K277 VanDerWaalsContact CA-O 3.31Å; G249-K277 WeakPolarHBondContact CA-O 3.21Å; R252-K277 PolarHBondContact NH1-O 3.19Å; R252-K277 PolarHBondContact NH2-O 3.38Å; K277-L279 PolarHBondContact O-N 3.47Å
278	G	97.9	Very high	97.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	8.6	175.3	0	0	0	0	0	114.3	S276 F285 V286	S276-G278 PolarHBondContact O-N 3.04Å; S276-G278 WeakPolarHBondContact OG-CA 3.49Å; S276-G278 PolarHBondContact OG-N 3.35Å; G278-F285 CarbonylContact O-C 3.59Å; G278-F285 WeakPolarHBondContact O-CA 3.25Å; G278-F285 WeakPolarHBondContact O-CB 3.07Å; G278-V286 WeakPolarHBondContact O-CG2 3.38Å; G278-V286 PolarHBondContact O-N 3.22Å
279	L	98.5	Very high	97.9	Very high	52 Å²	52	55.1 Å²	55.1	27%	0.272	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-76.7	135.5	171.6	-66.5	174.7	0	0	0	111.5	R252 T268 F273 S276 K277 F285	R252-L279 PolarHBondContact NH1-O 3Å; T268-L279 HydrophobicContact CG2-CD2 3.47Å; T268-L279 VanDerWaalsContact CG2-CD2 3.47Å; F273-L279 HydrophobicContact CE2-CD1 4.38Å; F273-L279 HydrophobicContact CE2-CD2 4.39Å; F273-L279 HydrophobicContact CZ-CD2 4.04Å; S276-L279 WeakPolarHBondContact O-CG 3.47Å; K277-L279 PolarHBondContact O-N 3.47Å; L279-F285 HydrophobicContact CD2-CD1 3.81Å; L279-F285 HydrophobicContact CD2-CE1 3.84Å
280	A	97.2	Very high	98	Very high	43 Å²	43	51.4 Å²	51.4	36%	0.355	28%	0.279	S	S	.	.	S	Bend	trans	-88.7	-38.3	166.2	0	0	0	0	0	110.9	H284 V286	A280-H284 PolarHBondContact N-O 3.15Å; A280-V286 HydrophobicContact CB-CB 4.36Å; A280-V286 HydrophobicContact CB-CG1 4.49Å; A280-V286 HydrophobicContact CB-CG2 4.06Å
281	D	96.9	Very high	98	Very high	75 Å²	75	49.2 Å²	49.2	40%	0.401	26%	0.256	S	S	.	.	S	Bend	trans	-151.7	-168.4	174.1	59.9	46.8	0	0	0	110.2	D283 H284	D281-D283 PolarHBondContact O-N 3.44Å; D281-D283 WeakPolarHBondContact OD1-CA 3.42Å; D281-D283 PolarHBondContact OD1-N 2.69Å; D281-H284 PolarHBondContact N-O 3.06Å; D281-H284 IonicContact OD1-CG 2.67Å; D281-H284 PolarHBondContact OD1-N 3.29Å; D281-H284 IonicContact OD1-ND1 2.79Å; D281-H284 PolarHBondContact OD1-ND1 2.94Å; D281-H284 IonicContact OD2-ND1 2.84Å; D281-H284 PolarHBondContact OD2-ND1 2.99Å
282	D	96.3	Very high	97.9	Very high	150 Å²	150	50.6 Å²	50.6	80%	0.802	26%	0.263	S	S	*	.	S	Bend	trans	-64.9	-23.9	-178.1	-67.8	-25.1	0	0	0	113.2
283	D	97.9	Very high	97.8	Very high	108 Å²	108	48.4 Å²	48.4	58%	0.578	26%	0.256	S	S	*	.	S	Bend	trans	-117.3	-7.3	-170.9	-66.9	-49.9	0	0	0	113.4	P267 T268 D281	P267-D283 CarbonylContact C-O 3.55Å; P267-D283 WeakPolarHBondContact CA-O 3.34Å; T268-D283 PolarHBondContact N-O 2.6Å; T268-D283 PolarHBondContact OG1-O 3.28Å; T268-D283 VanDerWaalsContact OG1-O 3.12Å; D281-D283 PolarHBondContact O-N 3.44Å; D281-D283 WeakPolarHBondContact OD1-CA 3.42Å; D281-D283 PolarHBondContact OD1-N 2.69Å
284	H	98.6	Very high	97.8	Very high	66 Å²	66	49.3 Å²	49.3	31%	0.306	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141	-176.8	-53	84.5	0	0	0	113.7	H265 W266 A280 D281	H265-H284 HydrophobicContact CB-CB 4.24Å; W266-H284 CarbonylContact O-C 3.5Å; W266-H284 VanDerWaalsContact O-CA 3.26Å; W266-H284 WeakPolarHBondContact O-CA 3.48Å; A280-H284 PolarHBondContact N-O 3.15Å; D281-H284 PolarHBondContact N-O 3.06Å; D281-H284 IonicContact OD1-CG 2.67Å; D281-H284 PolarHBondContact OD1-N 3.29Å; D281-H284 IonicContact OD1-ND1 2.79Å; D281-H284 PolarHBondContact OD1-ND1 2.94Å; D281-H284 IonicContact OD2-ND1 2.84Å; D281-H284 PolarHBondContact OD2-ND1 2.99Å
285	F	98.8	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	154.2	158.9	-60.6	-71.9	0	0	0	111	F244 H265 W266 T268 Y271 F273 G278 L279 G287 A289	F244-F285 AromaticContact CD1-CE1 3.98Å; F244-F285 HydrophobicContact CD1-CE1 3.98Å; F244-F285 AromaticContact CD1-CZ 3.75Å; F244-F285 HydrophobicContact CD1-CZ 3.75Å; F244-F285 HydrophobicContact CE1-CE1 4.12Å; F244-F285 HydrophobicContact CE1-CE2 4.2Å; F244-F285 AromaticContact CE1-CZ 3.55Å; F244-F285 HydrophobicContact CE1-CZ 3.55Å; H265-F285 CarbonylContact C-O 3.52Å; H265-F285 VanDerWaalsContact CA-O 3.29Å; H265-F285 WeakPolarHBondContact CA-O 3.44Å; W266-F285 HydrophobicContact CB-CB 4.5Å; W266-F285 PolarHBondContact N-O 2.62Å; W266-F285 PolarHBondContact O-N 2.83Å; T268-F285 HydrophobicContact CG2-CD1 4.48Å; T268-F285 HydrophobicContact CG2-CD2 4Å; T268-F285 HydrophobicContact CG2-CE1 4.31Å; T268-F285 HydrophobicContact CG2-CE2 3.84Å; T268-F285 HydrophobicContact CG2-CG 4.33Å; T268-F285 HydrophobicContact CG2-CZ 3.98Å; Y271-F285 AromaticContact CD2-CE2 3.91Å; Y271-F285 HydrophobicContact CD2-CE2 3.91Å; Y271-F285 HydrophobicContact CE2-CE2 4.08Å; Y271-F285 HydrophobicContact CG-CE2 4.19Å; F273-F285 HydrophobicContact CD1-CZ 4.2Å; F273-F285 HydrophobicContact CE1-CE1 4.16Å; F273-F285 HydrophobicContact CE1-CE2 4.47Å; F273-F285 AromaticContact CE1-CZ 3.54Å; F273-F285 HydrophobicContact CE1-CZ 3.54Å; F273-F285 HydrophobicContact CE2-CE1 4.41Å; F273-F285 AromaticContact CZ-CE1 3.92Å; F273-F285 HydrophobicContact CZ-CE1 3.92Å; F273-F285 AromaticContact CZ-CZ 3.76Å; F273-F285 HydrophobicContact CZ-CZ 3.76Å; G278-F285 CarbonylContact O-C 3.59Å; G278-F285 WeakPolarHBondContact O-CA 3.25Å; G278-F285 WeakPolarHBondContact O-CB 3.07Å; L279-F285 HydrophobicContact CD2-CD1 3.81Å; L279-F285 HydrophobicContact CD2-CE1 3.84Å; F285-G287 VanDerWaalsContact CB-O 3.27Å; F285-G287 WeakPolarHBondContact CB-O 3.31Å; F285-G287 PolarHBondContact O-N 3.45Å; F285-G287 VanDerWaalsContact O-N 3.12Å; F285-A289 HydrophobicContact CD2-CB 3.73Å; F285-A289 HydrophobicContact CE2-CB 3.83Å; F285-A289 HydrophobicContact CG-CB 4.12Å; F285-A289 HydrophobicContact CZ-CB 4.34Å
286	V	98.3	Very high	97.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.232	C	C	.	.	S	Bend	trans	-68.1	-8.1	175.3	-150.4	0	0	0	0	112.8	L231 R252 I262 G278 A280	L231-V286 HydrophobicContact CD1-CG1 4.39Å; R252-V286 HydrophobicContact CB-CG1 4.24Å; R252-V286 HydrophobicContact CG-CG1 4.06Å; I262-V286 HydrophobicContact CD1-CG1 4.09Å; I262-V286 HydrophobicContact CG2-CG1 3.9Å; G278-V286 WeakPolarHBondContact O-CG2 3.38Å; G278-V286 PolarHBondContact O-N 3.22Å; A280-V286 HydrophobicContact CB-CB 4.36Å; A280-V286 HydrophobicContact CB-CG1 4.49Å; A280-V286 HydrophobicContact CB-CG2 4.06Å
287	G	98.6	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	178.3	-179.4	0	0	0	0	0	111.9	L231 W266 F285 A289	L231-G287 CarbonylContact O-C 3.53Å; L231-G287 WeakPolarHBondContact O-CA 3.4Å; W266-G287 VanDerWaalsContact CB-O 3.27Å; W266-G287 WeakPolarHBondContact CB-O 3.24Å; F285-G287 VanDerWaalsContact CB-O 3.27Å; F285-G287 WeakPolarHBondContact CB-O 3.31Å; F285-G287 PolarHBondContact O-N 3.45Å; F285-G287 VanDerWaalsContact O-N 3.12Å; G287-A289 PolarHBondContact O-N 3.34Å; G287-A289 VanDerWaalsContact O-N 3.15Å
288	L	98.8	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	115.6	-179.7	176.1	62.6	0	0	0	111.6	L231 F232 G233 W266 I290 R302 V303 W306	L231-L288 PolarHBondContact O-N 3.49Å; F232-L288 CarbonylContact C-O 3.53Å; F232-L288 VanDerWaalsContact CA-O 3.29Å; F232-L288 WeakPolarHBondContact CA-O 3.47Å; F232-L288 HydrophobicContact CB-CB 3.87Å; F232-L288 HydrophobicContact CB-CD2 4.43Å; F232-L288 HydrophobicContact CB-CG 4.48Å; G233-L288 PolarHBondContact N-O 2.99Å; W266-L288 HydrophobicContact CD2-CD1 3.76Å; W266-L288 HydrophobicContact CE3-CD1 4.29Å; W266-L288 HydrophobicContact CG-CD1 4.07Å; W266-L288 HydrophobicContact CZ2-CD1 4.18Å; L288-I290 HydrophobicContact CD1-CD1 3.96Å; L288-I290 HydrophobicContact CD2-CD1 4.07Å; L288-I290 HydrophobicContact CD2-CG1 4.18Å; L288-I290 HydrophobicContact CG-CD1 3.95Å; L288-I290 HydrophobicContact CG-CG1 4.01Å; L288-R302 HydrophobicContact CD1-CB 4.17Å; L288-V303 HydrophobicContact CD2-CG2 4.07Å; L288-W306 HydrophobicContact CB-CB 4.43Å; L288-W306 HydrophobicContact CB-CD2 3.58Å; L288-W306 HydrophobicContact CB-CE3 4.13Å; L288-W306 HydrophobicContact CB-CG 3.71Å; L288-W306 HydrophobicContact CB-CZ2 4.16Å; L288-W306 HydrophobicContact CD1-CB 3.95Å; L288-W306 HydrophobicContact CD1-CG 4.1Å; L288-W306 HydrophobicContact CD2-CB 3.95Å; L288-W306 HydrophobicContact CD2-CD2 3.87Å; L288-W306 HydrophobicContact CD2-CE3 3.78Å; L288-W306 HydrophobicContact CD2-CG 3.96Å; L288-W306 HydrophobicContact CG-CB 4.33Å; L288-W306 HydrophobicContact CG-CD2 4.24Å; L288-W306 HydrophobicContact CG-CG 4.13Å
289	A	98.8	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.9	172.1	0	0	0	0	0	110.8	F244 Y271 F285 G287	F244-A289 HydrophobicContact CE1-CB 4.13Å; F244-A289 HydrophobicContact CZ-CB 4.22Å; Y271-A289 HydrophobicContact CE1-CB 4.14Å; Y271-A289 PolarHBondContact OH-O 3.01Å; F285-A289 HydrophobicContact CD2-CB 3.73Å; F285-A289 HydrophobicContact CE2-CB 3.83Å; F285-A289 HydrophobicContact CG-CB 4.12Å; F285-A289 HydrophobicContact CZ-CB 4.34Å; G287-A289 PolarHBondContact O-N 3.34Å; G287-A289 VanDerWaalsContact O-N 3.15Å
290	I	98.7	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.7	175.2	-62.9	-60.5	0	0	0	109.6	I164 G233 C234 G235 L288 E292 T299 R302 V303	I164-I290 HydrophobicContact CD1-CG1 4.37Å; I164-I290 HydrophobicContact CD1-CG2 4.03Å; I164-I290 HydrophobicContact CG1-CG1 4.36Å; I164-I290 HydrophobicContact CG1-CG2 4.28Å; I164-I290 HydrophobicContact CG2-CG1 4.43Å; G233-I290 PolarHBondContact O-N 2.74Å; C234-I290 CarbonylContact C-O 3.53Å; C234-I290 VanDerWaalsContact CA-O 3.24Å; C234-I290 WeakPolarHBondContact CA-O 3.44Å; G235-I290 PolarHBondContact N-O 3.44Å; L288-I290 HydrophobicContact CD1-CD1 3.96Å; L288-I290 HydrophobicContact CD2-CD1 4.07Å; L288-I290 HydrophobicContact CD2-CG1 4.18Å; L288-I290 HydrophobicContact CG-CD1 3.95Å; L288-I290 HydrophobicContact CG-CG1 4.01Å; I290-E292 HydrophobicContact CG2-CG 4Å; I290-T299 HydrophobicContact CD1-CG2 4.3Å; I290-T299 HydrophobicContact CG2-CG2 4.09Å; I290-R302 HydrophobicContact CD1-CB 3.95Å; I290-V303 HydrophobicContact CD1-CG2 4.24Å
291	D	98.4	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.			trans	-128.9	92.6	175.8	-172.2	-25.5	0	0	0	108.7	G235 Q237 F244 D293 R294 Q295	G235-D291 VanDerWaalsContact O-CA 3.31Å; G235-D291 WeakPolarHBondContact O-CA 3.2Å; G235-D291 WeakPolarHBondContact O-CB 3.22Å; G235-D291 VanDerWaalsContact O-CG 3.23Å; Q237-D291 WeakPolarHBondContact CB-OD2 3.36Å; Q237-D291 VanDerWaalsContact CG-OD2 3.26Å; Q237-D291 WeakPolarHBondContact CG-OD2 3.26Å; Q237-D291 PolarHBondContact N-OD2 2.84Å; Q237-D291 PolarHBondContact NE2-OD2 3.48Å; F244-D291 HydrophobicContact CE2-CB 4.19Å; F244-D291 HydrophobicContact CZ-CB 4.4Å; D291-D293 PolarHBondContact O-N 2.91Å; D291-D293 PolarHBondContact OD1-N 3.17Å; D291-D293 VanDerWaalsContact OD1-N 3.12Å; D291-R294 WeakPolarHBondContact OD1-CB 3.07Å; D291-R294 WeakPolarHBondContact OD1-CG 3.31Å; D291-R294 PolarHBondContact OD1-N 3.41Å; D291-R294 WeakPolarHBondContact OD2-CB 3.36Å; D291-R294 VanDerWaalsContact OD2-CG 3.31Å; D291-R294 WeakPolarHBondContact OD2-CG 3.48Å; D291-Q295 CarbonylContact O-C 3.53Å; D291-Q295 WeakPolarHBondContact O-CA 3.44Å; D291-Q295 PolarHBondContact O-N 3.47Å
292	E	96.6	Very high	97.9	Very high	43 Å²	43	47.4 Å²	47.4	20%	0.201	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.9	179.7	-73.1	-66.4	131.5	0	0	112.6	N160 I290 P296 T299	N160-E292 HydrophobicContact CB-CG 4.11Å; I290-E292 HydrophobicContact CG2-CG 4Å; E292-P296 WeakPolarHBondContact O-CB 3.28Å; E292-T299 VanDerWaalsContact OE1-CB 3.25Å; E292-T299 WeakPolarHBondContact OE1-CB 3.24Å; E292-T299 WeakPolarHBondContact OE1-CG2 3.4Å; E292-T299 PolarHBondContact OE1-OG1 3.14Å
293	D	94.9	Very high	98	Very high	109 Å²	109	40.2 Å²	40.2	58%	0.583	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-36	-176.9	-67.1	-72	0	0	0	111.5	D291	D291-D293 PolarHBondContact O-N 2.91Å; D291-D293 PolarHBondContact OD1-N 3.17Å; D291-D293 VanDerWaalsContact OD1-N 3.12Å
294	R	96.3	Very high	98	Very high	71 Å²	71	40.9 Å²	40.9	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-34.3	-175.7	-49.2	-57	169.6	167.8	-17.9	114.5	D236 Q237 E238 D239 D291 P296	D236-R294 IonicContact OD1-CZ 3.32Å; D236-R294 IonicContact OD1-NE 3.61Å; D236-R294 PolarHBondContact OD1-NE 3.16Å; D236-R294 IonicContact OD1-NH2 3.86Å; D236-R294 PolarHBondContact OD1-NH2 2.98Å; D236-R294 IonicContact OD2-CZ 3.48Å; D236-R294 IonicContact OD2-NE 2.92Å; D236-R294 PolarHBondContact OD2-NE 3.28Å; D236-R294 IonicContact OD2-NH2 3.36Å; D236-R294 PolarHBondContact OD2-NH2 2.92Å; Q237-R294 HydrophobicContact CG-CB 4.46Å; Q237-R294 HydrophobicContact CG-CG 4.26Å; E238-R294 HydrophobicContact CB-CG 4.28Å; E238-R294 HydrophobicContact CG-CG 3.97Å; E238-R294 WeakPolarHBondContact OE2-CD 3.38Å; E238-R294 IonicContact OE2-CZ 2.75Å; E238-R294 IonicContact OE2-NE 3.72Å; E238-R294 IonicContact OE2-NH1 3.5Å; E238-R294 PolarHBondContact OE2-NH1 3.18Å; D239-R294 IonicContact OD1-NH2 2.69Å; D239-R294 PolarHBondContact OD1-NH2 2.92Å; D239-R294 IonicContact OD2-CZ 3.98Å; D239-R294 IonicContact OD2-NH2 2.69Å; D239-R294 PolarHBondContact OD2-NH2 3.19Å; D291-R294 WeakPolarHBondContact OD1-CB 3.07Å; D291-R294 WeakPolarHBondContact OD1-CG 3.31Å; D291-R294 PolarHBondContact OD1-N 3.41Å; D291-R294 WeakPolarHBondContact OD2-CB 3.36Å; D291-R294 VanDerWaalsContact OD2-CG 3.31Å; D291-R294 WeakPolarHBondContact OD2-CG 3.48Å; R294-P296 VanDerWaalsContact C-CD 3.42Å
295	Q	96.7	Very high	98	Very high	27 Å²	27	43 Å²	43	13%	0.126	22%	0.216	C	C	.	.			trans	-133	42.6	-174.1	-62.4	178.8	-34.6	0	0	113.6	Q237 G270 D291 E297 L298 R302	Q237-Q295 VanDerWaalsContact NE2-OE1 3.1Å; G270-Q295 PolarHBondContact O-NE2 2.85Å; D291-Q295 CarbonylContact O-C 3.53Å; D291-Q295 WeakPolarHBondContact O-CA 3.44Å; D291-Q295 PolarHBondContact O-N 3.47Å; Q295-E297 PolarHBondContact O-N 2.85Å; Q295-E297 VanDerWaalsContact O-N 3.15Å; Q295-L298 HydrophobicContact CB-CB 4.46Å; Q295-L298 HydrophobicContact CB-CD1 4.11Å; Q295-L298 HydrophobicContact CB-CG 4.33Å; Q295-L298 HydrophobicContact CG-CD1 4.34Å; Q295-L298 PolarHBondContact O-N 3.36Å; Q295-R302 VanDerWaalsContact OE1-CZ 3.29Å
296	P	97.3	Very high	98	Very high	60 Å²	60	43 Å²	43	39%	0.39	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-26.3	-177.3	26.4	-35.3	0	0	0	113.2	E292 R294 L298 T299	E292-P296 WeakPolarHBondContact O-CB 3.28Å; R294-P296 VanDerWaalsContact C-CD 3.42Å; P296-L298 PolarHBondContact O-N 2.85Å; P296-T299 WeakPolarHBondContact O-CB 3.48Å; P296-T299 PolarHBondContact O-N 3.11Å; P296-T299 PolarHBondContact O-OG1 3.04Å
297	E	98.1	Very high	97.9	Very high	133 Å²	133	43.2 Å²	43.2	62%	0.621	22%	0.217	S	C	*	.	H	α-helix	trans	-65.5	-21.4	175.9	70.7	-73.5	172.2	0	0	113.5	Q295	Q295-E297 PolarHBondContact O-N 2.85Å; Q295-E297 VanDerWaalsContact O-N 3.15Å
298	L	98.3	Very high	97.8	Very high	52 Å²	52	49.8 Å²	49.8	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-90.9	-16	178.5	-58.6	-175.8	0	0	0	112.7	Q295 P296 A300 E301 R302	Q295-L298 HydrophobicContact CB-CB 4.46Å; Q295-L298 HydrophobicContact CB-CD1 4.11Å; Q295-L298 HydrophobicContact CB-CG 4.33Å; Q295-L298 HydrophobicContact CG-CD1 4.34Å; Q295-L298 PolarHBondContact O-N 3.36Å; P296-L298 PolarHBondContact O-N 2.85Å; L298-A300 PolarHBondContact O-N 2.58Å; L298-E301 PolarHBondContact O-N 3.14Å; L298-R302 HydrophobicContact CB-CG 4.33Å; L298-R302 WeakPolarHBondContact O-CB 3.5Å; L298-R302 VanDerWaalsContact O-CG 3.26Å; L298-R302 WeakPolarHBondContact O-CG 3.41Å; L298-R302 PolarHBondContact O-N 3.17Å
299	T	98.4	Very high	97.7	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-54.2	-51	-173.8	-65.2	0	0	0	0	112.6	I164 M167 I290 E292 P296 E301 R302 V303	I164-T299 HydrophobicContact CD1-CG2 3.29Å; M167-T299 HydrophobicContact CE-CG2 4.04Å; M167-T299 HydrophobicContact SD-CG2 4.26Å; I290-T299 HydrophobicContact CD1-CG2 4.3Å; I290-T299 HydrophobicContact CG2-CG2 4.09Å; E292-T299 VanDerWaalsContact OE1-CB 3.25Å; E292-T299 WeakPolarHBondContact OE1-CB 3.24Å; E292-T299 WeakPolarHBondContact OE1-CG2 3.4Å; E292-T299 PolarHBondContact OE1-OG1 3.14Å; P296-T299 WeakPolarHBondContact O-CB 3.48Å; P296-T299 PolarHBondContact O-N 3.11Å; P296-T299 PolarHBondContact O-OG1 3.04Å; T299-E301 VanDerWaalsContact C-N 3.33Å; T299-E301 PolarHBondContact O-N 3.18Å; T299-R302 PolarHBondContact O-N 3.18Å; T299-V303 HydrophobicContact CG2-CG2 4.15Å; T299-V303 VanDerWaalsContact O-CG2 3.31Å; T299-V303 WeakPolarHBondContact O-CG2 3.16Å; T299-V303 PolarHBondContact O-N 2.82Å
300	A	98.2	Very high	97.6	Very high	58 Å²	58	51.9 Å²	51.9	48%	0.479	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-44.3	-175.9	0	0	0	0	0	112.3	M167 L298 E304	M167-A300 HydrophobicContact CE-CB 4.15Å; L298-A300 PolarHBondContact O-N 2.58Å; A300-E304 WeakPolarHBondContact O-CB 3.44Å; A300-E304 PolarHBondContact O-N 3.46Å
301	E	98.2	Very high	97.2	Very high	94 Å²	94	52.9 Å²	52.9	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-67.8	-40.2	178	-177.8	-178.3	173.1	0	0	111.7	L298 T299 E304 K305	L298-E301 PolarHBondContact O-N 3.14Å; T299-E301 VanDerWaalsContact C-N 3.33Å; T299-E301 PolarHBondContact O-N 3.18Å; E301-E304 PolarHBondContact O-N 3.04Å; E301-K305 HydrophobicContact CG-CD 4.26Å; E301-K305 WeakPolarHBondContact O-CB 3.31Å; E301-K305 WeakPolarHBondContact O-CG 3.4Å; E301-K305 PolarHBondContact O-N 3.46Å; E301-K305 WeakPolarHBondContact OE1-CE 3.43Å; E301-K305 IonicContact OE1-NZ 3.9Å; E301-K305 PolarHBondContact OE1-NZ 2.98Å
302	R	98.6	Very high	96.9	Very high	18 Å²	18	58.5 Å²	58.5	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-46.3	178.4	-71.4	-180	166.9	162.3	-5.7	111.5	W266 Y271 L288 I290 Q295 L298 T299 E304 K305 W306	W266-R302 HydrophobicContact CZ2-CB 4.02Å; W266-R302 HydrophobicContact CZ2-CG 3.9Å; Y271-R302 VanDerWaalsContact CE1-CZ 3.46Å; Y271-R302 VanDerWaalsContact CE1-NH1 3.28Å; Y271-R302 VanDerWaalsContact CZ-NH2 3.3Å; Y271-R302 WeakPolarHBondContact OH-CD 3.48Å; Y271-R302 PolarHBondContact OH-NE 2.74Å; Y271-R302 VanDerWaalsContact OH-NE 3.1Å; Y271-R302 PolarHBondContact OH-NH1 3.09Å; L288-R302 HydrophobicContact CD1-CB 4.17Å; I290-R302 HydrophobicContact CD1-CB 3.95Å; Q295-R302 VanDerWaalsContact OE1-CZ 3.29Å; L298-R302 HydrophobicContact CB-CG 4.33Å; L298-R302 WeakPolarHBondContact O-CB 3.5Å; L298-R302 VanDerWaalsContact O-CG 3.26Å; L298-R302 WeakPolarHBondContact O-CG 3.41Å; L298-R302 PolarHBondContact O-N 3.17Å; T299-R302 PolarHBondContact O-N 3.18Å; R302-E304 VanDerWaalsContact C-N 3.33Å; R302-E304 PolarHBondContact O-N 3.08Å; R302-K305 PolarHBondContact O-N 3.06Å; R302-W306 VanDerWaalsContact O-CB 3.27Å; R302-W306 WeakPolarHBondContact O-CB 3.46Å; R302-W306 PolarHBondContact O-N 2.96Å
303	V	98.7	Very high	96.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-42.9	175.6	178	0	0	0	0	110.5	I164 M167 I168 L288 I290 T299 W306 V307	I164-V303 HydrophobicContact CD1-CG2 4.35Å; I164-V303 HydrophobicContact CG2-CG2 4.07Å; M167-V303 HydrophobicContact CB-CG1 4.03Å; M167-V303 HydrophobicContact CE-CB 4.25Å; M167-V303 HydrophobicContact CE-CG2 4.14Å; I168-V303 HydrophobicContact CG1-CG1 3.79Å; L288-V303 HydrophobicContact CD2-CG2 4.07Å; I290-V303 HydrophobicContact CD1-CG2 4.24Å; T299-V303 HydrophobicContact CG2-CG2 4.15Å; T299-V303 VanDerWaalsContact O-CG2 3.31Å; T299-V303 WeakPolarHBondContact O-CG2 3.16Å; T299-V303 PolarHBondContact O-N 2.82Å; V303-W306 PolarHBondContact O-N 3.47Å; V303-V307 HydrophobicContact CG1-CG2 4.1Å; V303-V307 WeakPolarHBondContact O-CB 3.46Å; V303-V307 WeakPolarHBondContact O-CG2 3.15Å; V303-V307 PolarHBondContact O-N 2.8Å
304	E	98.3	Very high	96.1	Very high	122 Å²	122	55.3 Å²	55.3	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-60.7	-48.5	177.1	-176	179.7	-175.8	0	0	113.6	Q171 A300 E301 R302 W306 K308	Q171-E304 VanDerWaalsContact NE2-CA 3.31Å; Q171-E304 VanDerWaalsContact OE1-CA 3.24Å; A300-E304 WeakPolarHBondContact O-CB 3.44Å; A300-E304 PolarHBondContact O-N 3.46Å; E301-E304 PolarHBondContact O-N 3.04Å; R302-E304 VanDerWaalsContact C-N 3.33Å; R302-E304 PolarHBondContact O-N 3.08Å; E304-W306 VanDerWaalsContact C-N 3.34Å; E304-W306 PolarHBondContact O-N 2.77Å; E304-K308 PolarHBondContact O-N 2.8Å; E304-K308 VanDerWaalsContact O-N 3.12Å
305	K	98.4	Very high	95.3	Very high	110 Å²	110	56.7 Å²	56.7	48%	0.478	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-43	177.4	-74.3	178.8	-176	173.2	0	112	W266 E301 R302 K308 Q309	W266-K305 HydrophobicContact CH2-CB 3.83Å; W266-K305 HydrophobicContact CH2-CD 4.48Å; W266-K305 HydrophobicContact CZ3-CB 4.17Å; E301-K305 HydrophobicContact CG-CD 4.26Å; E301-K305 WeakPolarHBondContact O-CB 3.31Å; E301-K305 WeakPolarHBondContact O-CG 3.4Å; E301-K305 PolarHBondContact O-N 3.46Å; E301-K305 WeakPolarHBondContact OE1-CE 3.43Å; E301-K305 IonicContact OE1-NZ 3.9Å; E301-K305 PolarHBondContact OE1-NZ 2.98Å; R302-K305 PolarHBondContact O-N 3.06Å; K305-K308 PolarHBondContact O-N 3.12Å; K305-Q309 WeakPolarHBondContact O-CB 3.47Å; K305-Q309 PolarHBondContact O-N 2.96Å
306	W	98.6	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-42.1	-178.5	-172	73	0	0	0	112.3	I168 L197 A230 L231 F232 G264 W266 L288 R302 V303 E304 K308 Q309 I310	I168-W306 HydrophobicContact CD1-CE3 4.36Å; I168-W306 HydrophobicContact CD1-CZ3 3.81Å; I168-W306 HydrophobicContact CG1-CZ3 4.35Å; L197-W306 HydrophobicContact CD2-CH2 4.33Å; A230-W306 HydrophobicContact CB-CH2 3.77Å; A230-W306 HydrophobicContact CB-CZ2 3.63Å; L231-W306 WeakPolarHBondContact O-CZ2 3.45Å; F232-W306 HydrophobicContact CB-CH2 4.21Å; F232-W306 HydrophobicContact CB-CZ3 4.41Å; F232-W306 HydrophobicContact CD1-CH2 4.3Å; F232-W306 HydrophobicContact CD1-CZ3 4.5Å; G264-W306 PolarHBondContact O-NE1 3.1Å; W266-W306 HydrophobicContact CE3-CB 4.09Å; W266-W306 AromaticContact CE3-CD1 3.61Å; W266-W306 HydrophobicContact CE3-CG 4.23Å; W266-W306 HydrophobicContact CZ3-CB 3.89Å; W266-W306 HydrophobicContact CZ3-CG 4.5Å; L288-W306 HydrophobicContact CB-CB 4.43Å; L288-W306 HydrophobicContact CB-CD2 3.58Å; L288-W306 HydrophobicContact CB-CE3 4.13Å; L288-W306 HydrophobicContact CB-CG 3.71Å; L288-W306 HydrophobicContact CB-CZ2 4.16Å; L288-W306 HydrophobicContact CD1-CB 3.95Å; L288-W306 HydrophobicContact CD1-CG 4.1Å; L288-W306 HydrophobicContact CD2-CB 3.95Å; L288-W306 HydrophobicContact CD2-CD2 3.87Å; L288-W306 HydrophobicContact CD2-CE3 3.78Å; L288-W306 HydrophobicContact CD2-CG 3.96Å; L288-W306 HydrophobicContact CG-CB 4.33Å; L288-W306 HydrophobicContact CG-CD2 4.24Å; L288-W306 HydrophobicContact CG-CG 4.13Å; R302-W306 VanDerWaalsContact O-CB 3.27Å; R302-W306 WeakPolarHBondContact O-CB 3.46Å; R302-W306 PolarHBondContact O-N 2.96Å; V303-W306 PolarHBondContact O-N 3.47Å; E304-W306 VanDerWaalsContact C-N 3.34Å; E304-W306 PolarHBondContact O-N 2.77Å; W306-K308 VanDerWaalsContact C-N 3.27Å; W306-K308 PolarHBondContact O-N 3.48Å; W306-Q309 WeakPolarHBondContact O-CB 3.37Å; W306-Q309 PolarHBondContact O-N 2.72Å; W306-Q309 VanDerWaalsContact O-N 3.14Å; W306-I310 HydrophobicContact CD2-CG2 4.02Å; W306-I310 HydrophobicContact CE3-CD1 3.95Å; W306-I310 HydrophobicContact CE3-CG2 4.49Å; W306-I310 HydrophobicContact CH2-CD1 4Å; W306-I310 HydrophobicContact CH2-CG2 4.33Å; W306-I310 HydrophobicContact CZ2-CG2 3.82Å; W306-I310 HydrophobicContact CZ3-CD1 3.67Å; W306-I310 WeakPolarHBondContact O-CG1 3.49Å; W306-I310 PolarHBondContact O-N 3.18Å
307	V	97.8	Very high	93.1	Very high	6 Å²	6	57.8 Å²	57.8	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-43.2	174.6	170.7	0	0	0	0	110.4	I168 Q171 L172 V303 I310 S311	I168-V307 HydrophobicContact CB-CG2 4.3Å; I168-V307 HydrophobicContact CG1-CG2 4.13Å; I168-V307 HydrophobicContact CG2-CG2 4.07Å; Q171-V307 HydrophobicContact CB-CB 4.28Å; Q171-V307 HydrophobicContact CB-CG1 3.75Å; Q171-V307 HydrophobicContact CB-CG2 4.23Å; L172-V307 HydrophobicContact CD2-CG1 3.72Å; L172-V307 HydrophobicContact CG-CG1 4.04Å; V303-V307 HydrophobicContact CG1-CG2 4.1Å; V303-V307 WeakPolarHBondContact O-CB 3.46Å; V303-V307 WeakPolarHBondContact O-CG2 3.15Å; V303-V307 PolarHBondContact O-N 2.8Å; V307-I310 VanDerWaalsContact O-CG1 3.32Å; V307-I310 WeakPolarHBondContact O-CG1 3.31Å; V307-S311 WeakPolarHBondContact O-CB 3.24Å; V307-S311 PolarHBondContact O-N 2.88Å; V307-S311 PolarHBondContact O-OG 2.86Å
308	K	95.9	Very high	91.6	Very high	139 Å²	139	56.6 Å²	56.6	60%	0.604	28%	0.277	S	S	*	.	H	α-helix	trans	-61.2	-46.8	175.5	-174.1	-178.7	174.8	-171.4	0	111.8	E304 K305 W306 S311 E312	E304-K308 PolarHBondContact O-N 2.8Å; E304-K308 VanDerWaalsContact O-N 3.12Å; K305-K308 PolarHBondContact O-N 3.12Å; W306-K308 VanDerWaalsContact C-N 3.27Å; W306-K308 PolarHBondContact O-N 3.48Å; K308-S311 PolarHBondContact O-N 3.04Å; K308-E312 WeakPolarHBondContact CE-OE1 3.1Å; K308-E312 WeakPolarHBondContact O-CG 3.26Å; K308-E312 PolarHBondContact O-N 2.85Å
309	Q	97.1	Very high	90.1	Very high	44 Å²	44	56.5 Å²	56.5	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-53.6	177.4	176.7	-172.4	-18.2	0	0	111.7	H265 K305 W306 S311 E312 E313	H265-Q309 PolarHBondContact O-NE2 2.84Å; K305-Q309 WeakPolarHBondContact O-CB 3.47Å; K305-Q309 PolarHBondContact O-N 2.96Å; W306-Q309 WeakPolarHBondContact O-CB 3.37Å; W306-Q309 PolarHBondContact O-N 2.72Å; W306-Q309 VanDerWaalsContact O-N 3.14Å; Q309-S311 VanDerWaalsContact C-N 3.26Å; Q309-S311 PolarHBondContact O-N 3.37Å; Q309-E312 PolarHBondContact O-N 3.29Å; Q309-E312 VanDerWaalsContact O-N 3.17Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.43Å; Q309-E313 PolarHBondContact NE2-OE1 2.95Å; Q309-E313 WeakPolarHBondContact O-CG 3.49Å; Q309-E313 PolarHBondContact O-N 3.02Å
310	I	95.3	Very high	88.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-30.2	-178.7	66.1	173.9	0	0	0	111.9	L197 A230 W306 V307 E312 E313 L314	L197-I310 HydrophobicContact CD1-CD1 3.91Å; L197-I310 HydrophobicContact CD2-CD1 3.9Å; A230-I310 HydrophobicContact CB-CG2 4.17Å; W306-I310 HydrophobicContact CD2-CG2 4.02Å; W306-I310 HydrophobicContact CE3-CD1 3.95Å; W306-I310 HydrophobicContact CE3-CG2 4.49Å; W306-I310 HydrophobicContact CH2-CD1 4Å; W306-I310 HydrophobicContact CH2-CG2 4.33Å; W306-I310 HydrophobicContact CZ2-CG2 3.82Å; W306-I310 HydrophobicContact CZ3-CD1 3.67Å; W306-I310 WeakPolarHBondContact O-CG1 3.49Å; W306-I310 PolarHBondContact O-N 3.18Å; V307-I310 VanDerWaalsContact O-CG1 3.32Å; V307-I310 WeakPolarHBondContact O-CG1 3.31Å; I310-E312 VanDerWaalsContact C-N 3.28Å; I310-E312 PolarHBondContact O-N 2.95Å; I310-E313 PolarHBondContact O-N 3.3Å; I310-L314 HydrophobicContact CB-CD1 4.17Å; I310-L314 WeakPolarHBondContact O-CB 3.43Å; I310-L314 WeakPolarHBondContact O-CD1 3.42Å; I310-L314 WeakPolarHBondContact O-CG 3.46Å; I310-L314 PolarHBondContact O-N 3.44Å
311	S	91.5	Very high	86.5	Confident	21 Å²	21	63 Å²	63	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-37	176.1	-58.6	0	0	0	0	111.7	V307 K308 Q309 H315 L316	V307-S311 WeakPolarHBondContact O-CB 3.24Å; V307-S311 PolarHBondContact O-N 2.88Å; V307-S311 PolarHBondContact O-OG 2.86Å; K308-S311 PolarHBondContact O-N 3.04Å; Q309-S311 VanDerWaalsContact C-N 3.26Å; Q309-S311 PolarHBondContact O-N 3.37Å; S311-H315 PolarHBondContact O-N 2.94Å; S311-L316 PolarHBondContact O-N 3.09Å
312	E	90.8	Very high	84.1	Confident	118 Å²	118	62.6 Å²	62.6	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-71.6	-47.1	174.3	-68.4	173.8	-169.5	0	0	111.3	K308 Q309 I310 L314 H315	K308-E312 WeakPolarHBondContact CE-OE1 3.1Å; K308-E312 WeakPolarHBondContact O-CG 3.26Å; K308-E312 PolarHBondContact O-N 2.85Å; Q309-E312 PolarHBondContact O-N 3.29Å; Q309-E312 VanDerWaalsContact O-N 3.17Å; I310-E312 VanDerWaalsContact C-N 3.28Å; I310-E312 PolarHBondContact O-N 2.95Å; E312-L314 VanDerWaalsContact C-N 3.35Å; E312-L314 PolarHBondContact O-N 3.25Å; E312-H315 PolarHBondContact O-N 3.38Å
313	E	90.4	Very high	83.4	Confident	79 Å²	79	64.9 Å²	64.9	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-33.8	-179.1	-69.4	176.3	-165.3	0	0	113.4	V263 G264 Q309 I310 H315	V263-E313 HydrophobicContact CB-CB 4.47Å; V263-E313 WeakPolarHBondContact CB-OE2 3.33Å; G264-E313 WeakPolarHBondContact CA-OE2 3.5Å; G264-E313 PolarHBondContact N-OE2 2.93Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.43Å; Q309-E313 PolarHBondContact NE2-OE1 2.95Å; Q309-E313 WeakPolarHBondContact O-CG 3.49Å; Q309-E313 PolarHBondContact O-N 3.02Å; I310-E313 PolarHBondContact O-N 3.3Å; E313-H315 VanDerWaalsContact C-N 3.3Å
314	L	84.3	Confident	82.6	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.5	177.5	-66.5	170.1	0	0	0	112.8	I195 L228 V263 I310 E312 L316	I195-L314 HydrophobicContact CD1-CB 4.45Å; I195-L314 HydrophobicContact CD1-CD2 4.39Å; I195-L314 HydrophobicContact CG2-CD1 3.71Å; I195-L314 HydrophobicContact CG2-CD2 4Å; I195-L314 HydrophobicContact CG2-CG 4.48Å; L228-L314 HydrophobicContact CB-CD2 3.56Å; L228-L314 HydrophobicContact CD1-CD2 3.59Å; L228-L314 HydrophobicContact CG-CD2 4.15Å; V263-L314 HydrophobicContact CG2-CD2 3.69Å; V263-L314 HydrophobicContact CG2-CG 4.1Å; I310-L314 HydrophobicContact CB-CD1 4.17Å; I310-L314 WeakPolarHBondContact O-CB 3.43Å; I310-L314 WeakPolarHBondContact O-CD1 3.42Å; I310-L314 WeakPolarHBondContact O-CG 3.46Å; I310-L314 PolarHBondContact O-N 3.44Å; E312-L314 VanDerWaalsContact C-N 3.35Å; E312-L314 PolarHBondContact O-N 3.25Å; L314-L316 HydrophobicContact CB-CD2 4.05Å; L314-L316 HydrophobicContact CB-CG 3.86Å; L314-L316 HydrophobicContact CD1-CD1 4.39Å; L314-L316 HydrophobicContact CD1-CD2 4.48Å; L314-L316 HydrophobicContact CD1-CG 4.41Å; L314-L316 PolarHBondContact O-N 2.84Å
315	H	80.3	Confident	81.7	Confident	100 Å²	100	65.3 Å²	65.3	46%	0.463	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.4	-173.5	-62.5	-94.1	0	0	0	113	S311 E312 E313 D317 E318 I319	S311-H315 PolarHBondContact O-N 2.94Å; E312-H315 PolarHBondContact O-N 3.38Å; E313-H315 VanDerWaalsContact C-N 3.3Å; H315-D317 PolarHBondContact O-N 2.75Å; H315-E318 HydrophobicContact CB-CB 4.31Å; H315-E318 HydrophobicContact CB-CG 4.38Å; H315-E318 IonicContact CE1-OE1 2.94Å; H315-E318 IonicContact CG-OE1 2.94Å; H315-E318 IonicContact ND1-OE1 3.84Å; H315-E318 PolarHBondContact ND1-OE1 3.32Å; H315-E318 WeakPolarHBondContact O-CB 3.45Å; H315-E318 PolarHBondContact O-N 2.76Å; H315-I319 PolarHBondContact O-N 3.36Å; H315-I319 VanDerWaalsContact O-N 3.16Å
316	L	75.1	Confident	80.7	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-36	-175.1	-70.2	-177.7	0	0	0	112	L172 I195 S311 L314 E318 I319 L320	L172-L316 HydrophobicContact CD2-CD1 3.71Å; I195-L316 HydrophobicContact CD1-CD2 3.65Å; S311-L316 PolarHBondContact O-N 3.09Å; L314-L316 HydrophobicContact CB-CD2 4.05Å; L314-L316 HydrophobicContact CB-CG 3.86Å; L314-L316 HydrophobicContact CD1-CD1 4.39Å; L314-L316 HydrophobicContact CD1-CD2 4.48Å; L314-L316 HydrophobicContact CD1-CG 4.41Å; L314-L316 PolarHBondContact O-N 2.84Å; L316-E318 VanDerWaalsContact C-N 3.28Å; L316-E318 PolarHBondContact O-N 2.75Å; L316-I319 HydrophobicContact CD2-CD1 4.46Å; L316-I319 PolarHBondContact O-N 3.04Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 WeakPolarHBondContact O-CG 3.18Å; L316-L320 PolarHBondContact O-N 3.44Å
317	D	71.9	Confident	79.6	Confident	107 Å²	107	66.6 Å²	66.6	57%	0.572	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-35.1	176.7	-73.5	-23.9	0	0	0	112.4	H315 N321	H315-D317 PolarHBondContact O-N 2.75Å; D317-N321 VanDerWaalsContact O-CB 3.31Å; D317-N321 WeakPolarHBondContact O-CB 3.5Å; D317-N321 PolarHBondContact O-N 3.31Å; D317-N321 PolarHBondContact O-ND2 3.23Å
318	E	67.8	Low	78.4	Confident	108 Å²	108	70.6 Å²	70.6	51%	0.505	37%	0.365	S	S	.	.	H	α-helix	trans	-71.1	-39.9	176.1	-63.9	179.1	-148.9	0	0	110.4	H315 L316 A322	H315-E318 HydrophobicContact CB-CB 4.31Å; H315-E318 HydrophobicContact CB-CG 4.38Å; H315-E318 IonicContact CE1-OE1 2.94Å; H315-E318 IonicContact CG-OE1 2.94Å; H315-E318 IonicContact ND1-OE1 3.84Å; H315-E318 PolarHBondContact ND1-OE1 3.32Å; H315-E318 WeakPolarHBondContact O-CB 3.45Å; H315-E318 PolarHBondContact O-N 2.76Å; L316-E318 VanDerWaalsContact C-N 3.28Å; L316-E318 PolarHBondContact O-N 2.75Å; E318-A322 WeakPolarHBondContact O-CB 3.24Å; E318-A322 PolarHBondContact O-N 3.41Å
319	I	65.8	Low	77.2	Confident	50 Å²	50	65.7 Å²	65.7	26%	0.256	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-40.2	179.2	-58.2	171	0	0	0	111.2	I149 I195 H315 L316	I149-I319 HydrophobicContact CD1-CG2 3.66Å; I149-I319 HydrophobicContact CG1-CG2 4.31Å; I149-I319 HydrophobicContact CG2-CG2 4.16Å; I195-I319 HydrophobicContact CD1-CD1 4.15Å; H315-I319 PolarHBondContact O-N 3.36Å; H315-I319 VanDerWaalsContact O-N 3.16Å; L316-I319 HydrophobicContact CD2-CD1 4.46Å; L316-I319 PolarHBondContact O-N 3.04Å
320	L	63.7	Low	75.6	Confident	71 Å²	71	67.4 Å²	67.4	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-74.3	-26.8	-178.8	-69.1	171.7	0	0	0	113.2	I149 V176 L316	I149-L320 HydrophobicContact CD1-CD2 3.64Å; I149-L320 HydrophobicContact CD1-CG 4.42Å; V176-L320 HydrophobicContact CB-CD2 4.44Å; V176-L320 HydrophobicContact CG1-CD1 4.44Å; V176-L320 HydrophobicContact CG1-CD2 4.12Å; V176-L320 HydrophobicContact CG2-CD1 4.05Å; V176-L320 HydrophobicContact CG2-CD2 3.58Å; V176-L320 HydrophobicContact CG2-CG 4.48Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 WeakPolarHBondContact O-CG 3.18Å; L316-L320 PolarHBondContact O-N 3.44Å
321	N	58	Low	74	Confident	129 Å²	129	73 Å²	73	69%	0.69	39%	0.389	S	S	*	.	H	α-helix	trans	-99.4	-6.9	178.9	-65.8	-59.2	0	0	0	113.8	D317	D317-N321 VanDerWaalsContact O-CB 3.31Å; D317-N321 WeakPolarHBondContact O-CB 3.5Å; D317-N321 PolarHBondContact O-N 3.31Å; D317-N321 PolarHBondContact O-ND2 3.23Å
322	A	48.6	Very low	72.4	Confident	85 Å²	85	77.7 Å²	77.7	70%	0.702	41%	0.411	S	S	*	.			trans	-76.1	0	175.7	0	0	0	0	0	112.4	Q141 E318	Q141-A322 PolarHBondContact NE2-O 3.32Å; Q141-A322 PolarHBondContact NE2-OXT 2.69Å; E318-A322 WeakPolarHBondContact O-CB 3.24Å; E318-A322 PolarHBondContact O-N 3.41Å

Retrieved 322 of 322 residues in 354.1 ms (Link to these results)

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