A0A096MYY9_PAPAN Loading...

N-acylneuraminate cytidylyltransferase

Catalyzes the activation of N-acetylneuraminic acid (NeuNAc) to cytidine 5'-monophosphate N-acetylneuraminic acid (CMP-NeuNAc), a substrate required for the addition of sialic acid. Has some activity toward NeuNAc, N-glycolylneuraminic acid (Neu5Gc) or 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid (KDN).

AlphaFold DB (A0A2I3LK72), UniProt , Accession A0A096MYY9, Species PAPAN (Papio anubis, Olive baboon), Gene CMAS, Length 434 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	29.5	Very low	228 Å²	228	126.9 Å²	126.9	100%	1.123	78%	0.775	S	S	*	*				0	78.1	0	-70.8	177.7	173.4	0	0	105.7
2	D	30.8	Very low	29.5	Very low	141 Å²	141	127.8 Å²	127.8	75%	0.754	78%	0.78	S	S	*	*				79.6	109	89.4	-79.2	-52.8	0	0	0	110.7
3	S	27.9	Very low	29.4	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	79%	0.786	S	S	*	*				83.2	108.9	87.6	-59.5	0	0	0	0	109.7
4	V	31.2	Very low	29.5	Very low	121 Å²	121	128.9 Å²	128.9	73%	0.733	79%	0.786	S	S	*	*				98.7	118.7	87.7	158.3	0	0	0	0	112.6
5	E	31.1	Very low	30.2	Very low	137 Å²	137	128.1 Å²	128.1	64%	0.64	78%	0.784	S	S	*	*			trans	77.8	140.5	135.7	-82.3	-177.9	154.2	0	0	126.3
6	K	30.6	Very low	30.4	Very low	176 Å²	176	135.4 Å²	135.4	77%	0.765	79%	0.793	S	S	*	*			trans	72.4	143.1	135.2	-72.7	165.6	-178.9	154	0	118.1
7	G	26.2	Very low	30.3	Very low	71 Å²	71	132.2 Å²	132.2	73%	0.732	80%	0.795	S	S	*	*			cis	160	169	5.4	0	0	0	0	0	110.9
8	A	27.8	Very low	30.4	Very low	102 Å²	102	138.4 Å²	138.4	84%	0.843	80%	0.802	S	S	*	*			trans	64.4	123	158.5	0	0	0	0	0	119.1
9	A	28.6	Very low	30.5	Very low	88 Å²	88	138.1 Å²	138.1	73%	0.727	81%	0.805	S	S	*	*				84.9	137.6	51.1	0	0	0	0	0	115
10	T	27.4	Very low	30.6	Very low	140 Å²	140	135.9 Å²	135.9	86%	0.859	80%	0.798	S	S	*	*			trans	118.5	144.3	162	59.3	0	0	0	0	114.3
11	S	27.8	Very low	30.7	Very low	97 Å²	97	141 Å²	141	68%	0.678	80%	0.804	S	S	*	*			cis	-177.8	141	-22.2	52.9	0	0	0	0	109.3
12	V	29.1	Very low	30.4	Very low	138 Å²	138	133.8 Å²	133.8	84%	0.836	79%	0.787	S	S	*	*			trans	68.8	121.7	137.8	-176.7	0	0	0	0	121.2
13	S	27.7	Very low	30.7	Very low	123 Å²	123	139 Å²	139	86%	0.86	80%	0.796	S	S	*	*				-172.8	148.3	111.4	51.7	0	0	0	0	113.3
14	N	30.7	Very low	31.1	Very low	148 Å²	148	140 Å²	140	79%	0.791	80%	0.801	S	S	*	*			trans	-130.1	152.5	-176.1	-163.9	8.6	0	0	0	107
15	P	40.3	Very low	31.2	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	80%	0.802	S	S	*	*				-147.3	131.8	123.3	30.6	-11.2	0	0	0	116.9
16	R	33.7	Very low	31.4	Very low	245 Å²	245	143.2 Å²	143.2	93%	0.925	82%	0.815	S	S	*	*			trans	37.6	129.7	131.5	-60.5	-176.7	-176.2	-176.9	1.9	122.1
17	G	29.4	Very low	31.4	Very low	81 Å²	81	143.1 Å²	143.1	84%	0.835	82%	0.822	S	S	*	*			trans	168.5	106.9	143.2	0	0	0	0	0	114.7
18	R	31.3	Very low	31.6	Very low	245 Å²	245	147.9 Å²	147.9	93%	0.925	83%	0.825	S	S	*	*			trans	-89.3	158.9	170.7	-87.4	-175.7	175.3	-179.5	-0.1	110.9
19	P	33.3	Very low	31.9	Very low	131 Å²	131	154.9 Å²	154.9	85%	0.851	83%	0.83	S	S	*	*				-139.3	162.6	100.9	29.6	-11	0	0	0	115.6
20	S	31.5	Very low	32	Very low	94 Å²	94	156.4 Å²	156.4	66%	0.657	83%	0.826	S	S	*	*			trans	-74.9	163.3	-179.8	69.4	0	0	0	0	113.3
21	R	32.8	Very low	32.6	Very low	244 Å²	244	155.5 Å²	155.5	92%	0.921	83%	0.825	S	S	*	*				177.9	150.4	55	-115.5	169.6	-164.4	-168.6	2.3	107.2
22	G	28.9	Very low	33	Very low	76 Å²	76	161.3 Å²	161.3	78%	0.784	83%	0.832	S	S	*	*			trans	150.8	100	160.2	0	0	0	0	0	114.6
23	R	36.7	Very low	33.1	Very low	250 Å²	250	158.2 Å²	158.2	94%	0.943	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-79.6	133.5	169.3	-85.1	179.1	171.9	173.5	-2.5	109.6
24	P	36.5	Very low	33.5	Very low	116 Å²	116	156.3 Å²	156.3	75%	0.753	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.5	157.3	162.5	27.8	-21.3	0	0	0	111
25	P	33.3	Very low	33.7	Very low	119 Å²	119	158.2 Å²	158.2	77%	0.773	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-79.1	150.1	-163.4	8.3	5.9	0	0	0	113.2	L27	P25-L27 PolarHBondContact O-N 2.71Å
26	K	35.3	Very low	33.6	Very low	208 Å²	208	156.1 Å²	156.1	90%	0.904	83%	0.831	S	S	*	*			trans	-60.8	114.6	167.6	-73.4	179	175	-179	0	109.4	Q28	K26-Q28 PolarHBondContact O-N 2.65Å
27	L	31.7	Very low	34.1	Very low	173 Å²	173	156 Å²	156	91%	0.906	83%	0.831	S	S	*	*			trans	-68.4	122.3	166.3	-99.5	118.6	0	0	0	109.5	P25	P25-L27 PolarHBondContact O-N 2.71Å
28	Q	30.9	Very low	34.6	Very low	171 Å²	171	155.2 Å²	155.2	80%	0.799	82%	0.823	S	S	*	*			trans	-59	136	177	-73.9	167.1	-16.6	0	0	110.9	K26 N30	K26-Q28 PolarHBondContact O-N 2.65Å; Q28-N30 PolarHBondContact O-N 3.11Å
29	R	33.6	Very low	35.3	Very low	249 Å²	249	150.1 Å²	150.1	94%	0.94	82%	0.818	S	S	*	*			trans	-60	101.2	160.6	-91.9	177.4	156.8	-177.7	-6.1	108.1	S31	R29-S31 PolarHBondContact O-N 2.71Å
30	N	30.7	Very low	36.7	Very low	121 Å²	121	152.5 Å²	152.5	65%	0.647	82%	0.818	S	S	*	*			trans	-77.1	99.3	159.9	-90.4	-16	0	0	0	108.3	Q28 R32	Q28-N30 PolarHBondContact O-N 3.11Å; N30-R32 PolarHBondContact O-N 2.96Å
31	S	40.7	Very low	38.7	Very low	120 Å²	120	156.8 Å²	156.8	84%	0.839	83%	0.825	S	S	*	*			trans	-57.9	98.1	154.3	46.5	0	0	0	0	108.6	R29	R29-S31 PolarHBondContact O-N 2.71Å
32	R	36	Very low	41.1	Very low	220 Å²	220	148.9 Å²	148.9	83%	0.83	81%	0.805	S	S	*	*			trans	-108.3	132.1	163	-77.8	-172.4	179.4	-175.4	0.3	108.6	N30	N30-R32 PolarHBondContact O-N 2.96Å
33	G	30.9	Very low	44.2	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	79%	0.788	S	S	*	*			trans	-32.6	142.1	-170.3	0	0	0	0	0	116.4	Q35	G33-Q35 PolarHBondContact O-N 3.37Å
34	G	35.5	Very low	47.1	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	75%	0.751	S	S	*	*			trans	-52	104.3	163.5	0	0	0	0	0	109.8	G36	G34-G36 PolarHBondContact O-N 3.3Å
35	Q	35.8	Very low	50.1	Low	187 Å²	187	132.9 Å²	132.9	87%	0.874	72%	0.716	S	S	*	*			trans	-67.5	114.4	149.4	-77.5	179.7	-16.1	0	0	104.9	G33 R37	G33-Q35 PolarHBondContact O-N 3.37Å; Q35-R37 PolarHBondContact O-N 2.81Å
36	G	37.2	Very low	53.2	Low	72 Å²	72	127.2 Å²	127.2	74%	0.742	68%	0.679	S	S	*	*			trans	-47.5	129.8	168.1	0	0	0	0	0	107.7	G34 G38	G34-G36 PolarHBondContact O-N 3.3Å; G36-G38 PolarHBondContact O-N 2.92Å
37	R	43.6	Very low	56.2	Low	244 Å²	244	117.3 Å²	117.3	92%	0.921	64%	0.636	S	S	*	*			trans	-55.9	99.3	161.6	-75.4	-180	178.9	-176.1	-2.1	104.9	Q35 V39	Q35-R37 PolarHBondContact O-N 2.81Å; R37-V39 PolarHBondContact O-N 3Å; R37-V39 VanDerWaalsContact O-N 3.07Å
38	G	41	Very low	59.4	Low	64 Å²	64	109 Å²	109	66%	0.66	59%	0.593	S	S	*	*			trans	-51.7	120.2	163.6	0	0	0	0	0	104.6	G36 E40	G36-G38 PolarHBondContact O-N 2.92Å; G38-E40 PolarHBondContact O-N 3.17Å
39	V	45.7	Very low	62.6	Low	137 Å²	137	100.9 Å²	100.9	83%	0.83	56%	0.555	S	S	*	*			trans	-61	100	170.6	178.8	0	0	0	0	104	R37 K41	R37-V39 PolarHBondContact O-N 3Å; R37-V39 VanDerWaalsContact O-N 3.07Å; V39-K41 PolarHBondContact O-N 3.27Å
40	E	62.1	Low	65.7	Low	181 Å²	181	90.4 Å²	90.4	85%	0.846	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-53.6	119.7	172.7	-84.4	-177.4	167	0	0	105.9	G38	G38-E40 PolarHBondContact O-N 3.17Å
41	K	73.2	Confident	68.8	Low	184 Å²	184	84.6 Å²	84.6	80%	0.8	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-58.5	130.3	-179.6	-165.6	180	179.3	-169.6	0	106.2	V39	V39-K41 PolarHBondContact O-N 3.27Å
42	P	84.5	Confident	71.2	Confident	79 Å²	79	81.8 Å²	81.8	51%	0.513	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-55.7	142.5	178.5	23.6	-33.4	0	0	0	109.1	H44	P42-H44 PolarHBondContact O-N 3.42Å
43	P	93.3	Very high	73.7	Confident	64 Å²	64	71.8 Å²	71.8	42%	0.416	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-58.5	140	-177.5	24.9	-34.1	0	0	0	110.1	L45 D137 I138	P43-L45 PolarHBondContact O-N 3.11Å; P43-D137 VanDerWaalsContact CA-OD2 3.28Å; P43-D137 WeakPolarHBondContact CA-OD2 3.35Å; P43-D137 HydrophobicContact CB-CB 3.84Å; P43-I138 HydrophobicContact CB-CD1 4.07Å; P43-I138 HydrophobicContact CB-CG1 4.34Å; P43-I138 HydrophobicContact CG-CD1 4.14Å
44	H	98.1	Very high	76.1	Confident	35 Å²	35	70.6 Å²	70.6	16%	0.162	41%	0.41	C	S	.	.			trans	-80.2	107.8	179.9	-172.6	106.1	0	0	0	110.2	P42 Q86 S87 E135 D137 I138	P42-H44 PolarHBondContact O-N 3.42Å; H44-Q86 VanDerWaalsContact CE1-CB 3.5Å; H44-Q86 WeakPolarHBondContact CE1-CB 3.48Å; H44-Q86 WeakPolarHBondContact ND1-CB 3.09Å; H44-S87 PolarHBondContact NE2-OG 3.38Å; H44-E135 WeakPolarHBondContact CB-O 3.39Å; H44-D137 PolarHBondContact N-OD2 3.33Å; H44-D137 PolarHBondContact O-N 2.9Å; H44-I138 PolarHBondContact O-N 3.04Å
45	L	98.3	Very high	78.1	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113	173.7	-178.5	61.5	0	0	0	109.7	P43 F85 Q86 I138 A158 F219	P43-L45 PolarHBondContact O-N 3.11Å; L45-F85 HydrophobicContact CD1-CD1 4.44Å; L45-F85 HydrophobicContact CD1-CE1 4.35Å; L45-F85 HydrophobicContact CD2-CD1 4.11Å; L45-F85 HydrophobicContact CD2-CE1 4.21Å; L45-F85 HydrophobicContact CG-CD1 3.68Å; L45-F85 HydrophobicContact CG-CE1 3.97Å; L45-F85 CarbonylContact O-C 3.53Å; L45-F85 WeakPolarHBondContact O-CA 3.23Å; L45-Q86 PolarHBondContact O-N 3.42Å; L45-Q86 PolarHBondContact O-OE1 3.24Å; L45-I138 WeakPolarHBondContact CA-O 3.37Å; L45-I138 HydrophobicContact CD1-CB 3.61Å; L45-I138 HydrophobicContact CD1-CG2 3.46Å; L45-I138 VanDerWaalsContact CD1-CG2 3.46Å; L45-A158 HydrophobicContact CD2-CB 3.75Å; L45-F219 HydrophobicContact CD1-CD1 3.88Å; L45-F219 HydrophobicContact CD1-CE1 3.97Å; L45-F219 HydrophobicContact CD2-CE1 4.3Å
46	A	98.8	Very high	79.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	177.6	0	0	0	0	0	111.3	S87 V136 I138 G140	A46-S87 CarbonylContact C-O 3.49Å; A46-S87 WeakPolarHBondContact CA-O 3.37Å; A46-S87 WeakPolarHBondContact CB-OG 3.37Å; A46-V136 HydrophobicContact CB-CB 4.36Å; A46-V136 HydrophobicContact CB-CG1 3.55Å; A46-V136 HydrophobicContact CB-CG2 3.84Å; A46-I138 PolarHBondContact N-O 3.41Å; A46-G140 PolarHBondContact O-N 2.9Å
47	A	98.8	Very high	81.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.5	164.2	0	0	0	0	0	108.2	I49 A79 F85 S87 V88 W89 G140 I142	A47-I49 HydrophobicContact CB-CD1 4.43Å; A47-A79 HydrophobicContact CB-CB 4.14Å; A47-F85 HydrophobicContact CB-CB 4.47Å; A47-F85 HydrophobicContact CB-CD1 3.54Å; A47-F85 HydrophobicContact CB-CD2 3.96Å; A47-F85 HydrophobicContact CB-CE1 3.61Å; A47-F85 HydrophobicContact CB-CE2 4.03Å; A47-F85 HydrophobicContact CB-CG 3.72Å; A47-F85 HydrophobicContact CB-CZ 3.85Å; A47-S87 PolarHBondContact N-O 2.89Å; A47-V88 HydrophobicContact CB-CB 4.34Å; A47-V88 HydrophobicContact CB-CG1 4.1Å; A47-V88 HydrophobicContact CB-CG2 4.11Å; A47-W89 PolarHBondContact O-N 2.82Å; A47-G140 CarbonylContact C-O 3.46Å; A47-G140 WeakPolarHBondContact CA-O 3.46Å; A47-I142 HydrophobicContact CB-CD1 4.08Å
48	L	98.9	Very high	82.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	112.7	-179.4	-179	63.1	0	0	0	110.8	L50 W89 I126 F129 V139 G140 N141 I142	L48-L50 HydrophobicContact CD1-CD2 4.37Å; L48-L50 HydrophobicContact CD2-CD2 4.07Å; L48-L50 HydrophobicContact CG-CD2 3.98Å; L48-W89 HydrophobicContact CD1-CB 3.97Å; L48-I126 HydrophobicContact CD2-CB 4.27Å; L48-I126 HydrophobicContact CD2-CG1 3.91Å; L48-I126 HydrophobicContact CD2-CG2 4.09Å; L48-F129 HydrophobicContact CD1-CD1 4.17Å; L48-F129 HydrophobicContact CD1-CD2 3.84Å; L48-F129 HydrophobicContact CD1-CE1 4.36Å; L48-F129 HydrophobicContact CD1-CE2 4.06Å; L48-F129 HydrophobicContact CD1-CG 3.9Å; L48-F129 HydrophobicContact CD1-CZ 4.32Å; L48-F129 HydrophobicContact CD2-CB 4.11Å; L48-F129 HydrophobicContact CD2-CD1 3.7Å; L48-F129 HydrophobicContact CD2-CE1 4.31Å; L48-F129 HydrophobicContact CD2-CG 3.91Å; L48-V139 HydrophobicContact CB-CG1 3.81Å; L48-V139 HydrophobicContact CD2-CG1 3.89Å; L48-G140 PolarHBondContact N-O 3.42Å; L48-N141 CarbonylContact O-C 3.52Å; L48-N141 VanDerWaalsContact O-CA 3.29Å; L48-N141 WeakPolarHBondContact O-CA 3.44Å; L48-N141 PolarHBondContact O-ND2 2.94Å; L48-I142 PolarHBondContact O-N 3.45Å
49	I	98.6	Very high	84.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.4	176	-61.8	71.7	0	0	0	108	A47 I72 V75 L76 V88 W89 V90 S91 I142 A144	A47-I49 HydrophobicContact CB-CD1 4.43Å; I49-I72 HydrophobicContact CG2-CG2 4.14Å; I49-V75 HydrophobicContact CG1-CG2 3.99Å; I49-V75 HydrophobicContact CG2-CG2 4.33Å; I49-L76 HydrophobicContact CD1-CD2 3.68Å; I49-L76 HydrophobicContact CG1-CD2 4.09Å; I49-V88 HydrophobicContact CD1-CG1 4.28Å; I49-W89 WeakPolarHBondContact CD1-O 3.36Å; I49-W89 PolarHBondContact N-O 2.88Å; I49-V90 HydrophobicContact CB-CG2 4.34Å; I49-V90 CarbonylContact O-C 3.42Å; I49-V90 WeakPolarHBondContact O-CA 3.45Å; I49-S91 PolarHBondContact O-N 3.11Å; I49-I142 WeakPolarHBondContact CA-O 3.5Å; I49-I142 HydrophobicContact CD1-CB 4.46Å; I49-I142 HydrophobicContact CG1-CB 4.27Å; I49-A144 HydrophobicContact CG2-CB 4.36Å
50	L	97.5	Very high	86.4	Confident	28 Å²	28	51.5 Å²	51.5	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.1	176.4	-54.2	178.9	0	0	0	109.5	L48 A125 I126	L48-L50 HydrophobicContact CD1-CD2 4.37Å; L48-L50 HydrophobicContact CD2-CD2 4.07Å; L48-L50 HydrophobicContact CG-CD2 3.98Å; L50-A125 HydrophobicContact CD1-CB 4.06Å; L50-A125 HydrophobicContact CD2-CB 4Å; L50-I126 HydrophobicContact CD1-CG1 4.16Å; L50-I126 HydrophobicContact CD2-CG1 4.49Å
51	A	95.7	Very high	87.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.			trans	-134.8	92.2	-174.8	0	0	0	0	0	111.4	N62 I72 V90 S91 T92 I97	A51-N62 WeakPolarHBondContact CA-ND2 3.48Å; A51-N62 HydrophobicContact CB-CB 3.93Å; A51-I72 HydrophobicContact CB-CG2 4Å; A51-V90 HydrophobicContact CB-CG1 4.02Å; A51-S91 PolarHBondContact N-O 2.99Å; A51-T92 WeakPolarHBondContact O-CA 3.35Å; A51-T92 WeakPolarHBondContact O-CB 3.31Å; A51-T92 PolarHBondContact O-OG1 3.4Å; A51-I97 HydrophobicContact CB-CG2 3.74Å
52	R	92.6	Very high	88.7	Confident	61 Å²	61	35.9 Å²	35.9	23%	0.23	22%	0.217	C	C	.	.			trans	-77.1	150.9	172.5	50.6	-175	-160.1	-137.9	1.4	111.9	G54 N62 D93 I97 S116 K117 D118	R52-G54 WeakPolarHBondContact CD-O 3.39Å; R52-G54 PolarHBondContact NE-O 2.84Å; R52-N62 PolarHBondContact N-ND2 2.76Å; R52-N62 PolarHBondContact O-ND2 3.31Å; R52-D93 VanDerWaalsContact CA-OD1 3.28Å; R52-D93 WeakPolarHBondContact CA-OD1 3.49Å; R52-I97 WeakPolarHBondContact O-CD1 3.28Å; R52-S116 WeakPolarHBondContact CD-O 3.44Å; R52-K117 PolarHBondContact NH1-O 3.01Å; R52-D118 IonicContact CZ-OD1 3.43Å; R52-D118 IonicContact NE-OD1 3.89Å; R52-D118 IonicContact NH1-OD1 3.34Å; R52-D118 IonicContact NH2-OD1 2.69Å; R52-D118 PolarHBondContact NH2-OD1 2.65Å
53	G	87.8	Confident	89	Confident	9 Å²	9	33 Å²	33	9%	0.093	20%	0.197	C	C	.	.	S	Bend	trans	-68.6	-43.9	165.3	0	0	0	0	0	112.8	S55 D93	G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 3.32Å; G53-D93 PolarHBondContact N-OD1 3.23Å
54	G	81.8	Confident	88.8	Confident	47 Å²	47	33 Å²	33	49%	0.485	19%	0.191	S	C	.	.			trans	-75.8	65.7	-176.9	0	0	0	0	0	114.8	R52	R52-G54 WeakPolarHBondContact CD-O 3.39Å; R52-G54 PolarHBondContact NE-O 2.84Å
55	S	76.2	Confident	88.2	Confident	20 Å²	20	35.8 Å²	35.8	14%	0.14	20%	0.203	C	C	.	.			trans	-80.9	126.6	176.5	-71.4	0	0	0	0	111.6	G53 I58	G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 3.32Å; S55-I58 WeakPolarHBondContact CB-O 3.4Å
56	K	70.6	Confident	87.6	Confident	159 Å²	159	35.5 Å²	35.5	69%	0.691	20%	0.202	S	C	*	.	S	Bend	trans	-62.2	-43.4	-176.4	-96.2	176.2	164	169.7	0	114.8	D118	K56-D118 HydrophobicContact CD-CB 4.16Å; K56-D118 WeakPolarHBondContact CE-OD2 3.44Å; K56-D118 WeakPolarHBondContact CG-OD1 3.09Å; K56-D118 WeakPolarHBondContact CG-OD2 3.47Å
57	G	70.7	Confident	86.8	Confident	50 Å²	50	36 Å²	36	52%	0.515	21%	0.206	S	C	.	.	S	Bend	trans	-82.1	-59.3	-176.2	0	0	0	0	0	112
58	I	71.6	Confident	85.6	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.026	22%	0.215	C	C	.	.	S	Bend	trans	-118.8	114.8	-174.7	-53.8	177.2	0	0	0	107.8	S55 L60 K61 K64 D251 W254	S55-I58 WeakPolarHBondContact CB-O 3.4Å; I58-L60 PolarHBondContact O-N 2.91Å; I58-K61 HydrophobicContact CB-CB 3.97Å; I58-K61 HydrophobicContact CB-CD 4.31Å; I58-K61 HydrophobicContact CB-CG 4.11Å; I58-K61 HydrophobicContact CD1-CD 4.11Å; I58-K61 HydrophobicContact CD1-CG 4.26Å; I58-K61 HydrophobicContact CG1-CD 4.42Å; I58-K61 HydrophobicContact CG2-CB 4.38Å; I58-K61 WeakPolarHBondContact O-CB 3.39Å; I58-K61 PolarHBondContact O-N 3.48Å; I58-K64 HydrophobicContact CG2-CD 3.48Å; I58-K64 VanDerWaalsContact CG2-CD 3.48Å; I58-D251 WeakPolarHBondContact CD1-OD1 3.5Å; I58-D251 VanDerWaalsContact CG1-OD1 3.29Å; I58-D251 WeakPolarHBondContact CG1-OD1 3.49Å; I58-W254 HydrophobicContact CD1-CE3 3.68Å; I58-W254 HydrophobicContact CD1-CZ3 3.98Å
59	P	79.3	Confident	84.8	Confident	107 Å²	107	38 Å²	38	70%	0.695	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	133.6	174.6	-26	34.4	0	0	0	110.9	K61	P59-K61 PolarHBondContact O-N 2.89Å; P59-K61 VanDerWaalsContact O-N 3.11Å
60	L	86	Confident	84.4	Confident	47 Å²	47	38.6 Å²	38.6	25%	0.246	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	33.5	-177.9	-66.9	169.6	0	0	0	114.1	I58 N62 I63 K64 I97	I58-L60 PolarHBondContact O-N 2.91Å; L60-N62 PolarHBondContact O-N 3.49Å; L60-I63 HydrophobicContact CB-CD1 4.19Å; L60-I63 HydrophobicContact CB-CG1 3.82Å; L60-I63 HydrophobicContact CD1-CD1 4.28Å; L60-I63 HydrophobicContact CD2-CD1 4.12Å; L60-I63 HydrophobicContact CD2-CG1 4.38Å; L60-I63 HydrophobicContact CG-CD1 4.43Å; L60-I63 WeakPolarHBondContact O-CG1 3.27Å; L60-I63 PolarHBondContact O-N 2.92Å; L60-K64 PolarHBondContact O-N 2.93Å; L60-I97 HydrophobicContact CD2-CD1 4.36Å; L60-I97 HydrophobicContact CD2-CG1 4.43Å
61	K	89.8	Confident	84.3	Confident	25 Å²	25	37.3 Å²	37.3	11%	0.109	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-42.7	-43.7	-179.9	-170	168.5	68.9	166.9	0	113.4	I58 P59 I63 K64 L71 I248 D249 W254	I58-K61 HydrophobicContact CB-CB 3.97Å; I58-K61 HydrophobicContact CB-CD 4.31Å; I58-K61 HydrophobicContact CB-CG 4.11Å; I58-K61 HydrophobicContact CD1-CD 4.11Å; I58-K61 HydrophobicContact CD1-CG 4.26Å; I58-K61 HydrophobicContact CG1-CD 4.42Å; I58-K61 HydrophobicContact CG2-CB 4.38Å; I58-K61 WeakPolarHBondContact O-CB 3.39Å; I58-K61 PolarHBondContact O-N 3.48Å; P59-K61 PolarHBondContact O-N 2.89Å; P59-K61 VanDerWaalsContact O-N 3.11Å; K61-I63 PolarHBondContact O-N 3.49Å; K61-K64 PolarHBondContact O-N 3.41Å; K61-L71 HydrophobicContact CG-CD2 4.01Å; K61-L71 WeakPolarHBondContact O-CB 3.25Å; K61-I248 PolarHBondContact NZ-O 3.4Å; K61-D249 IonicContact NZ-OD1 3.78Å; K61-W254 HydrophobicContact CG-CZ3 4.15Å
62	N	93.4	Very high	84.3	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.064	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.9	-176.3	-69	-47.5	0	0	0	114.2	A51 R52 L60 L71 I72 I97	A51-N62 WeakPolarHBondContact CA-ND2 3.48Å; A51-N62 HydrophobicContact CB-CB 3.93Å; R52-N62 PolarHBondContact N-ND2 2.76Å; R52-N62 PolarHBondContact O-ND2 3.31Å; L60-N62 PolarHBondContact O-N 3.49Å; N62-L71 WeakPolarHBondContact O-CB 3.38Å; N62-L71 PolarHBondContact O-N 3.47Å; N62-I72 HydrophobicContact CB-CG2 3.88Å; N62-I72 WeakPolarHBondContact O-CG1 3.49Å; N62-I72 WeakPolarHBondContact O-CG2 3.42Å; N62-I72 PolarHBondContact O-N 2.89Å; N62-I97 HydrophobicContact CB-CD1 4.29Å
63	I	91.8	Very high	84.4	Confident	18 Å²	18	34.4 Å²	34.4	9%	0.092	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-120.5	2.7	176.1	59.2	168.7	0	0	0	113.5	L60 K61 H65 P70 I72 E96 I97 V100	L60-I63 HydrophobicContact CB-CD1 4.19Å; L60-I63 HydrophobicContact CB-CG1 3.82Å; L60-I63 HydrophobicContact CD1-CD1 4.28Å; L60-I63 HydrophobicContact CD2-CD1 4.12Å; L60-I63 HydrophobicContact CD2-CG1 4.38Å; L60-I63 HydrophobicContact CG-CD1 4.43Å; L60-I63 WeakPolarHBondContact O-CG1 3.27Å; L60-I63 PolarHBondContact O-N 2.92Å; K61-I63 PolarHBondContact O-N 3.49Å; I63-H65 PolarHBondContact O-N 3.36Å; I63-H65 PolarHBondContact O-ND1 2.89Å; I63-P70 HydrophobicContact CB-CB 4.49Å; I63-I72 HydrophobicContact CG2-CD1 4.22Å; I63-I72 HydrophobicContact CG2-CG1 4.42Å; I63-E96 HydrophobicContact CD1-CB 3.64Å; I63-I97 HydrophobicContact CD1-CG1 4.22Å; I63-I97 HydrophobicContact CG1-CG1 4.34Å; I63-I97 HydrophobicContact CG2-CB 4.24Å; I63-I97 HydrophobicContact CG2-CG1 3.84Å; I63-I97 HydrophobicContact CG2-CG2 4.35Å; I63-V100 HydrophobicContact CB-CG2 4.34Å; I63-V100 HydrophobicContact CG2-CB 3.95Å; I63-V100 HydrophobicContact CG2-CG1 4.17Å; I63-V100 HydrophobicContact CG2-CG2 3.84Å
64	K	88.9	Confident	84.8	Confident	64 Å²	64	34 Å²	34	28%	0.278	20%	0.204	S	C	.	.	S	Bend	trans	-60.9	135.7	166.9	-173.6	179.7	173	178.4	0	108.4	I58 L60 K61 L66 L71 D251 W254	I58-K64 HydrophobicContact CG2-CD 3.48Å; I58-K64 VanDerWaalsContact CG2-CD 3.48Å; L60-K64 PolarHBondContact O-N 2.93Å; K61-K64 PolarHBondContact O-N 3.41Å; K64-L66 PolarHBondContact O-N 2.96Å; K64-L71 PolarHBondContact O-N 2.76Å; K64-D251 IonicContact NZ-OD1 3.22Å; K64-D251 PolarHBondContact NZ-OD1 2.97Å; K64-W254 HydrophobicContact CB-CH2 3.56Å; K64-W254 HydrophobicContact CB-CZ2 3.71Å; K64-W254 HydrophobicContact CB-CZ3 4.36Å; K64-W254 HydrophobicContact CD-CD2 3.93Å; K64-W254 HydrophobicContact CD-CE3 4Å; K64-W254 HydrophobicContact CD-CH2 3.72Å; K64-W254 HydrophobicContact CD-CZ2 3.63Å; K64-W254 HydrophobicContact CD-CZ3 3.9Å; K64-W254 HydrophobicContact CG-CH2 3.69Å; K64-W254 HydrophobicContact CG-CZ2 3.37Å; K64-W254 HydrophobicContact CG-CZ3 4.38Å
65	H	85.1	Confident	85.6	Confident	93 Å²	93	31.8 Å²	31.8	43%	0.431	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.7	-175.4	-73.8	60.8	0	0	0	110	I63 G68 W254	I63-H65 PolarHBondContact O-N 3.36Å; I63-H65 PolarHBondContact O-ND1 2.89Å; H65-G68 PolarHBondContact CD2-O 3.1Å; H65-W254 WeakPolarHBondContact O-CZ2 3.18Å; H65-W254 PolarHBondContact O-NE1 3.31Å
66	L	86.2	Confident	86.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.2	173.6	-175	81.3	0	0	0	107.1	K64 G68 V69 L71 W74 P147 I248 W254 A257 E258 V261	K64-L66 PolarHBondContact O-N 2.96Å; L66-G68 PolarHBondContact O-N 3.4Å; L66-V69 PolarHBondContact N-O 3Å; L66-V69 PolarHBondContact O-N 2.94Å; L66-L71 HydrophobicContact CB-CD1 4.34Å; L66-L71 HydrophobicContact CD2-CD1 3.9Å; L66-W74 WeakPolarHBondContact O-CZ2 3.31Å; L66-W74 PolarHBondContact O-NE1 3.09Å; L66-P147 HydrophobicContact CD2-CB 3.8Å; L66-P147 HydrophobicContact CD2-CG 3.48Å; L66-P147 VanDerWaalsContact CD2-CG 3.48Å; L66-I248 HydrophobicContact CD1-CD1 4.17Å; L66-I248 HydrophobicContact CD2-CD1 3.86Å; L66-W254 HydrophobicContact CB-CH2 4.33Å; L66-W254 HydrophobicContact CB-CZ2 3.76Å; L66-W254 HydrophobicContact CD1-CD2 4.11Å; L66-W254 HydrophobicContact CD1-CH2 4.42Å; L66-W254 HydrophobicContact CD1-CZ2 3.93Å; L66-A257 HydrophobicContact CD1-CB 3.84Å; L66-E258 HydrophobicContact CD1-CB 4.39Å; L66-E258 HydrophobicContact CD1-CG 3.57Å; L66-E258 HydrophobicContact CG-CG 4.12Å; L66-V261 HydrophobicContact CD2-CB 4.06Å; L66-V261 HydrophobicContact CD2-CG1 3.79Å; L66-V261 HydrophobicContact CD2-CG2 4.42Å; L66-V261 HydrophobicContact CG-CG1 3.97Å
67	A	81.3	Confident	87.8	Confident	10 Å²	10	25.4 Å²	25.4	8%	0.083	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	43	-175	0	0	0	0	0	112.1	V69 W74 E258 V261 L262	A67-V69 VanDerWaalsContact C-N 3.34Å; A67-V69 PolarHBondContact O-N 2.96Å; A67-W74 HydrophobicContact CB-CZ2 4.1Å; A67-E258 HydrophobicContact CB-CB 4.45Å; A67-E258 PolarHBondContact N-OE1 3.14Å; A67-V261 HydrophobicContact CB-CG1 3.69Å; A67-L262 HydrophobicContact CB-CD1 3.92Å; A67-L262 HydrophobicContact CB-CD2 3.75Å; A67-L262 HydrophobicContact CB-CG 3.56Å
68	G	73.1	Confident	89.1	Confident	18 Å²	18	23 Å²	23	19%	0.186	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-2.1	174.7	0	0	0	0	0	118.3	H65 L66 G402	H65-G68 PolarHBondContact CD2-O 3.1Å; L66-G68 PolarHBondContact O-N 3.4Å; G68-G402 WeakPolarHBondContact CA-O 3.12Å
69	V	83.4	Confident	90.3	Very high	25 Å²	25	22.8 Å²	22.8	15%	0.152	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.1	-179.8	174.8	0	0	0	0	107.6	L66 A67 L71 W74 F104	L66-V69 PolarHBondContact N-O 3Å; L66-V69 PolarHBondContact O-N 2.94Å; A67-V69 VanDerWaalsContact C-N 3.34Å; A67-V69 PolarHBondContact O-N 2.96Å; V69-L71 PolarHBondContact O-N 2.91Å; V69-W74 HydrophobicContact CB-CZ2 3.95Å; V69-W74 HydrophobicContact CG1-CD2 4.49Å; V69-W74 HydrophobicContact CG1-CG 4.39Å; V69-W74 HydrophobicContact CG2-CZ2 4.09Å; V69-F104 HydrophobicContact CG1-CE1 4.11Å; V69-F104 HydrophobicContact CG1-CZ 3.8Å
70	P	90.4	Very high	91.2	Very high	13 Å²	13	20.8 Å²	20.8	8%	0.084	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	138.1	171.9	-27.4	34.7	0	0	0	110.7	I63 I72 G73 V100 F104	I63-P70 HydrophobicContact CB-CB 4.49Å; P70-I72 VanDerWaalsContact C-N 3.31Å; P70-I72 PolarHBondContact O-N 2.87Å; P70-I72 VanDerWaalsContact O-N 3.14Å; P70-G73 WeakPolarHBondContact O-CA 3.33Å; P70-G73 PolarHBondContact O-N 3.47Å; P70-V100 HydrophobicContact CB-CG1 3.65Å; P70-V100 HydrophobicContact CG-CG1 3.89Å; P70-F104 HydrophobicContact CG-CE2 4.38Å
71	L	94.2	Very high	91.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-50.1	-46	-169.7	-176.1	64.6	0	0	0	113.9	K61 N62 K64 L66 V69 G73 W74 A144 P147 I248 W254	K61-L71 HydrophobicContact CG-CD2 4.01Å; K61-L71 WeakPolarHBondContact O-CB 3.25Å; N62-L71 WeakPolarHBondContact O-CB 3.38Å; N62-L71 PolarHBondContact O-N 3.47Å; K64-L71 PolarHBondContact O-N 2.76Å; L66-L71 HydrophobicContact CB-CD1 4.34Å; L66-L71 HydrophobicContact CD2-CD1 3.9Å; V69-L71 PolarHBondContact O-N 2.91Å; L71-G73 PolarHBondContact O-N 2.9Å; L71-W74 PolarHBondContact O-N 3.32Å; L71-A144 WeakPolarHBondContact CD1-O 2.96Å; L71-A144 HydrophobicContact CD2-CB 4.46Å; L71-A144 HydrophobicContact CG-CB 4.26Å; L71-A144 VanDerWaalsContact CG-O 3.3Å; L71-A144 WeakPolarHBondContact CG-O 3.16Å; L71-P147 HydrophobicContact CD1-CB 4.05Å; L71-P147 HydrophobicContact CD1-CG 4.18Å; L71-I248 HydrophobicContact CD1-CD1 3.99Å; L71-W254 HydrophobicContact CB-CH2 4.44Å; L71-W254 HydrophobicContact CD2-CH2 4.47Å
72	I	96.7	Very high	92	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-28.9	176.4	57	169.6	0	0	0	113.4	I49 A51 N62 I63 P70 W74 V75 L76 I97 V100 A101 A144	I49-I72 HydrophobicContact CG2-CG2 4.14Å; A51-I72 HydrophobicContact CB-CG2 4Å; N62-I72 HydrophobicContact CB-CG2 3.88Å; N62-I72 WeakPolarHBondContact O-CG1 3.49Å; N62-I72 WeakPolarHBondContact O-CG2 3.42Å; N62-I72 PolarHBondContact O-N 2.89Å; I63-I72 HydrophobicContact CG2-CD1 4.22Å; I63-I72 HydrophobicContact CG2-CG1 4.42Å; P70-I72 VanDerWaalsContact C-N 3.31Å; P70-I72 PolarHBondContact O-N 2.87Å; P70-I72 VanDerWaalsContact O-N 3.14Å; I72-W74 PolarHBondContact O-N 3.25Å; I72-V75 VanDerWaalsContact O-CG2 3.27Å; I72-V75 WeakPolarHBondContact O-CG2 3.48Å; I72-V75 PolarHBondContact O-N 2.66Å; I72-L76 HydrophobicContact CB-CD1 4.35Å; I72-L76 HydrophobicContact CD1-CD1 4.28Å; I72-L76 HydrophobicContact CG1-CD1 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.34Å; I72-L76 VanDerWaalsContact O-CG 3.23Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 2.72Å; I72-I97 HydrophobicContact CD1-CG2 4.04Å; I72-V100 HydrophobicContact CD1-CB 4.19Å; I72-V100 HydrophobicContact CD1-CG1 3.78Å; I72-V100 HydrophobicContact CG1-CG1 3.92Å; I72-A101 HydrophobicContact CD1-CB 4.41Å; I72-A144 HydrophobicContact CG2-CB 3.71Å
73	G	94.9	Very high	92.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-32.2	-179.8	0	0	0	0	0	113	P70 L71 R77 F104	P70-G73 WeakPolarHBondContact O-CA 3.33Å; P70-G73 PolarHBondContact O-N 3.47Å; L71-G73 PolarHBondContact O-N 2.9Å; G73-R77 VanDerWaalsContact O-CB 3.22Å; G73-R77 WeakPolarHBondContact O-CB 3.37Å; G73-R77 PolarHBondContact O-N 2.71Å; G73-F104 VanDerWaalsContact CA-CE1 3.4Å
74	W	95.5	Very high	92.4	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-50.9	176.9	-71.7	99.2	0	0	0	112.4	L66 A67 V69 L71 I72 A78 P147 V261 Y266 F267	L66-W74 WeakPolarHBondContact O-CZ2 3.31Å; L66-W74 PolarHBondContact O-NE1 3.09Å; A67-W74 HydrophobicContact CB-CZ2 4.1Å; V69-W74 HydrophobicContact CB-CZ2 3.95Å; V69-W74 HydrophobicContact CG1-CD2 4.49Å; V69-W74 HydrophobicContact CG1-CG 4.39Å; V69-W74 HydrophobicContact CG2-CZ2 4.09Å; L71-W74 PolarHBondContact O-N 3.32Å; I72-W74 PolarHBondContact O-N 3.25Å; W74-A78 PolarHBondContact O-N 3.09Å; W74-P147 HydrophobicContact CB-CB 3.66Å; W74-P147 HydrophobicContact CG-CB 3.78Å; W74-V261 HydrophobicContact CD2-CG2 3.52Å; W74-V261 HydrophobicContact CE3-CG2 3.36Å; W74-V261 HydrophobicContact CG-CG2 4.3Å; W74-V261 HydrophobicContact CH2-CG1 4.01Å; W74-V261 HydrophobicContact CH2-CG2 3.76Å; W74-V261 HydrophobicContact CZ2-CB 4.46Å; W74-V261 HydrophobicContact CZ2-CG1 3.69Å; W74-V261 HydrophobicContact CZ2-CG2 3.87Å; W74-V261 HydrophobicContact CZ3-CG2 3.48Å; W74-V261 VanDerWaalsContact CZ3-CG2 3.48Å; W74-Y266 WeakPolarHBondContact CZ3-O 3.45Å; W74-F267 HydrophobicContact CH2-CD1 4.12Å; W74-F267 AromaticContact CH2-CE1 3.55Å; W74-F267 HydrophobicContact CH2-CE1 3.55Å; W74-F267 HydrophobicContact CH2-CE2 4Å; W74-F267 AromaticContact CH2-CZ 3.46Å; W74-F267 HydrophobicContact CH2-CZ 3.46Å; W74-F267 VanDerWaalsContact CH2-CZ 3.46Å; W74-F267 HydrophobicContact CZ3-CD1 4.31Å; W74-F267 HydrophobicContact CZ3-CD2 4.24Å; W74-F267 HydrophobicContact CZ3-CE1 4.05Å; W74-F267 AromaticContact CZ3-CE2 3.79Å; W74-F267 HydrophobicContact CZ3-CE2 3.79Å; W74-F267 HydrophobicContact CZ3-CG 4.42Å; W74-F267 AromaticContact CZ3-CZ 3.76Å; W74-F267 HydrophobicContact CZ3-CZ 3.76Å
75	V	97.6	Very high	92.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-76.3	-34.2	-178.3	-63.4	0	0	0	0	112.1	I49 I72 A78 A79 I142 A144 L149	I49-V75 HydrophobicContact CG1-CG2 3.99Å; I49-V75 HydrophobicContact CG2-CG2 4.33Å; I72-V75 VanDerWaalsContact O-CG2 3.27Å; I72-V75 WeakPolarHBondContact O-CG2 3.48Å; I72-V75 PolarHBondContact O-N 2.66Å; V75-A78 PolarHBondContact O-N 2.62Å; V75-A79 WeakPolarHBondContact O-CB 3.41Å; V75-A79 PolarHBondContact O-N 3.13Å; V75-I142 HydrophobicContact CB-CG2 3.84Å; V75-I142 HydrophobicContact CG1-CG2 4.1Å; V75-I142 HydrophobicContact CG2-CG2 4.42Å; V75-A144 HydrophobicContact CG2-CB 4.22Å; V75-L149 HydrophobicContact CG1-CD2 4.48Å
76	L	98.1	Very high	93.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-45.5	174.5	-75	177.6	0	0	0	111.5	I49 I72 A78 A79 L80 V88 V90 F104 A106	I49-L76 HydrophobicContact CD1-CD2 3.68Å; I49-L76 HydrophobicContact CG1-CD2 4.09Å; I72-L76 HydrophobicContact CB-CD1 4.35Å; I72-L76 HydrophobicContact CD1-CD1 4.28Å; I72-L76 HydrophobicContact CG1-CD1 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.34Å; I72-L76 VanDerWaalsContact O-CG 3.23Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 2.72Å; L76-A78 PolarHBondContact O-N 3.07Å; L76-A79 PolarHBondContact O-N 3.45Å; L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CD1 3.25Å; L76-L80 VanDerWaalsContact O-CG 3.31Å; L76-L80 WeakPolarHBondContact O-CG 3.24Å; L76-L80 PolarHBondContact O-N 3.14Å; L76-V88 HydrophobicContact CD2-CG1 3.68Å; L76-V90 HydrophobicContact CD1-CG2 3.95Å; L76-V90 HydrophobicContact CD2-CG2 3.75Å; L76-V90 HydrophobicContact CG-CG2 4.33Å; L76-F104 HydrophobicContact CB-CB 4.25Å; L76-F104 HydrophobicContact CD1-CB 3.81Å; L76-F104 HydrophobicContact CD1-CG 4.39Å; L76-A106 HydrophobicContact CD1-CB 4.07Å; L76-A106 HydrophobicContact CD2-CB 3.68Å; L76-A106 HydrophobicContact CG-CB 4.47Å
77	R	96.3	Very high	94	Very high	44 Å²	44	20.3 Å²	20.3	17%	0.166	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-46.6	176.2	-177.4	165.5	62	-153	-6.7	111.6	G73 D81 Y266 F267	G73-R77 VanDerWaalsContact O-CB 3.22Å; G73-R77 WeakPolarHBondContact O-CB 3.37Å; G73-R77 PolarHBondContact O-N 2.71Å; R77-D81 VanDerWaalsContact O-CB 3.27Å; R77-D81 WeakPolarHBondContact O-CB 3.26Å; R77-D81 PolarHBondContact O-N 3.07Å; R77-Y266 HydrophobicContact CG-CD1 4.24Å; R77-Y266 HydrophobicContact CG-CE1 4.08Å; R77-Y266 PolarHBondContact NE-O 3.17Å; R77-Y266 PolarHBondContact NH2-O 3.37Å; R77-F267 VanDerWaalsContact NE-C 3.34Å
78	A	97.1	Very high	94.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-41.9	176.5	0	0	0	0	0	112.5	W74 V75 L76 S82 L149 L154 Y266	W74-A78 PolarHBondContact O-N 3.09Å; V75-A78 PolarHBondContact O-N 2.62Å; L76-A78 PolarHBondContact O-N 3.07Å; A78-S82 WeakPolarHBondContact O-CB 3.33Å; A78-S82 PolarHBondContact O-N 3.2Å; A78-L149 HydrophobicContact CB-CB 4.49Å; A78-L149 HydrophobicContact CB-CG 4.34Å; A78-L149 WeakPolarHBondContact CB-O 3.24Å; A78-L154 HydrophobicContact CB-CD1 4.49Å; A78-Y266 HydrophobicContact CB-CD1 4.14Å
79	A	98.1	Very high	96.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-48.4	178.1	0	0	0	0	0	112	A47 V75 L76 S82 F85 V88 I142 L154	A47-A79 HydrophobicContact CB-CB 4.14Å; V75-A79 WeakPolarHBondContact O-CB 3.41Å; V75-A79 PolarHBondContact O-N 3.13Å; L76-A79 PolarHBondContact O-N 3.45Å; A79-S82 WeakPolarHBondContact O-CB 3.34Å; A79-S82 PolarHBondContact O-N 2.76Å; A79-S82 PolarHBondContact O-OG 2.85Å; A79-F85 HydrophobicContact CB-CD2 4.43Å; A79-F85 HydrophobicContact CB-CE2 4.21Å; A79-F85 WeakPolarHBondContact O-CD2 3.18Å; A79-V88 HydrophobicContact CB-CG1 4.15Å; A79-V88 HydrophobicContact CB-CG2 4.32Å; A79-I142 HydrophobicContact CB-CD1 3.99Å; A79-L154 HydrophobicContact CB-CD1 4.32Å
80	L	96.7	Very high	96.8	Very high	65 Å²	65	19.3 Å²	19.3	34%	0.34	11%	0.114	S	C	.	.	H	α-helix	trans	-64.7	-47.3	178.7	-70.5	162	0	0	0	111.7	L76 S82 G83 V88 F104	L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CD1 3.25Å; L76-L80 VanDerWaalsContact O-CG 3.31Å; L76-L80 WeakPolarHBondContact O-CG 3.24Å; L76-L80 PolarHBondContact O-N 3.14Å; L80-S82 PolarHBondContact O-N 3.26Å; L80-G83 PolarHBondContact O-N 2.94Å; L80-V88 HydrophobicContact CD2-CB 3.94Å; L80-V88 HydrophobicContact CD2-CG1 4.44Å; L80-V88 HydrophobicContact CD2-CG2 3.68Å; L80-V88 HydrophobicContact CG-CB 4.38Å; L80-V88 HydrophobicContact CG-CG1 4.38Å; L80-V88 HydrophobicContact CG-CG2 4.09Å; L80-F104 WeakPolarHBondContact CD1-O 3.4Å
81	D	96.6	Very high	97.2	Very high	34 Å²	34	18.7 Å²	18.7	18%	0.182	11%	0.11	C	C	.	.	H	α-helix	trans	-69.7	-20.7	-177.8	-82.4	-23.8	0	0	0	113.3	R77 G83 Y266 G268 K269	R77-D81 VanDerWaalsContact O-CB 3.27Å; R77-D81 WeakPolarHBondContact O-CB 3.26Å; R77-D81 PolarHBondContact O-N 3.07Å; D81-G83 PolarHBondContact O-N 2.96Å; D81-Y266 HydrophobicContact CB-CE1 3.8Å; D81-Y266 WeakPolarHBondContact CB-OH 3.48Å; D81-Y266 WeakPolarHBondContact OD2-CE1 3.28Å; D81-Y266 PolarHBondContact OD2-OH 3.2Å; D81-Y266 VanDerWaalsContact OD2-OH 3.06Å; D81-G268 VanDerWaalsContact OD2-CA 3.31Å; D81-G268 WeakPolarHBondContact OD2-CA 3.47Å; D81-K269 HydrophobicContact CB-CD 4.27Å; D81-K269 HydrophobicContact CB-CG 4.17Å; D81-K269 WeakPolarHBondContact O-CE 3.5Å; D81-K269 PolarHBondContact O-NZ 3.34Å; D81-K269 WeakPolarHBondContact OD1-CD 3.12Å; D81-K269 IonicContact OD1-NZ 3.32Å; D81-K269 PolarHBondContact OD2-N 3.11Å
82	S	97.2	Very high	97.4	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.035	11%	0.11	C	C	.	.	H	α-helix	trans	-59.6	-31.7	174.1	77.6	0	0	0	0	112.7	A78 A79 L80 A84 F85 Q155	A78-S82 WeakPolarHBondContact O-CB 3.33Å; A78-S82 PolarHBondContact O-N 3.2Å; A79-S82 WeakPolarHBondContact O-CB 3.34Å; A79-S82 PolarHBondContact O-N 2.76Å; A79-S82 PolarHBondContact O-OG 2.85Å; L80-S82 PolarHBondContact O-N 3.26Å; S82-A84 PolarHBondContact O-N 2.99Å; S82-A84 VanDerWaalsContact O-N 3.12Å; S82-A84 WeakPolarHBondContact OG-CB 3.29Å; S82-A84 PolarHBondContact OG-N 3.19Å; S82-A84 VanDerWaalsContact OG-N 3.13Å; S82-F85 WeakPolarHBondContact OG-CD2 3.35Å; S82-Q155 WeakPolarHBondContact O-CG 3.26Å; S82-Q155 PolarHBondContact O-NE2 3.33Å
83	G	95.8	Very high	97.3	Very high	67 Å²	67	21 Å²	21	69%	0.691	12%	0.122	S	C	*	.			trans	60.6	12.4	-171.4	0	0	0	0	0	114	L80 D81	L80-G83 PolarHBondContact O-N 2.94Å; D81-G83 PolarHBondContact O-N 2.96Å
84	A	96.4	Very high	97.4	Very high	13 Å²	13	23.8 Å²	23.8	11%	0.107	14%	0.135	C	C	.	.			trans	-83.5	-24.9	-176.2	0	0	0	0	0	113	S82 A158	S82-A84 PolarHBondContact O-N 2.99Å; S82-A84 VanDerWaalsContact O-N 3.12Å; S82-A84 WeakPolarHBondContact OG-CB 3.29Å; S82-A84 PolarHBondContact OG-N 3.19Å; S82-A84 VanDerWaalsContact OG-N 3.13Å; A84-A158 HydrophobicContact CB-CB 3.85Å
85	F	98.1	Very high	97.4	Very high	24 Å²	24	28.3 Å²	28.3	11%	0.105	16%	0.159	C	C	.	.			trans	-99.2	142.4	-172.2	-57.8	-84.6	0	0	0	112.2	L45 A47 A79 S82 S87 V88 I142 L154 F219	L45-F85 HydrophobicContact CD1-CD1 4.44Å; L45-F85 HydrophobicContact CD1-CE1 4.35Å; L45-F85 HydrophobicContact CD2-CD1 4.11Å; L45-F85 HydrophobicContact CD2-CE1 4.21Å; L45-F85 HydrophobicContact CG-CD1 3.68Å; L45-F85 HydrophobicContact CG-CE1 3.97Å; L45-F85 CarbonylContact O-C 3.53Å; L45-F85 WeakPolarHBondContact O-CA 3.23Å; A47-F85 HydrophobicContact CB-CB 4.47Å; A47-F85 HydrophobicContact CB-CD1 3.54Å; A47-F85 HydrophobicContact CB-CD2 3.96Å; A47-F85 HydrophobicContact CB-CE1 3.61Å; A47-F85 HydrophobicContact CB-CE2 4.03Å; A47-F85 HydrophobicContact CB-CG 3.72Å; A47-F85 HydrophobicContact CB-CZ 3.85Å; A79-F85 HydrophobicContact CB-CD2 4.43Å; A79-F85 HydrophobicContact CB-CE2 4.21Å; A79-F85 WeakPolarHBondContact O-CD2 3.18Å; S82-F85 WeakPolarHBondContact OG-CD2 3.35Å; F85-S87 VanDerWaalsContact C-N 3.31Å; F85-V88 HydrophobicContact CB-CG2 4.23Å; F85-I142 HydrophobicContact CE2-CD1 4.49Å; F85-I142 HydrophobicContact CZ-CD1 4.09Å; F85-L154 HydrophobicContact CE2-CB 4.23Å; F85-L154 HydrophobicContact CE2-CD1 4.03Å; F85-L154 HydrophobicContact CZ-CB 4.48Å; F85-L154 HydrophobicContact CZ-CD1 4.46Å; F85-L154 HydrophobicContact CZ-CD2 4.31Å; F85-F219 AromaticContact CE1-CE1 3.68Å; F85-F219 HydrophobicContact CE1-CE1 3.68Å; F85-F219 AromaticContact CE1-CZ 3.99Å; F85-F219 HydrophobicContact CE1-CZ 3.99Å; F85-F219 AromaticContact CZ-CE1 3.89Å; F85-F219 HydrophobicContact CZ-CE1 3.89Å; F85-F219 AromaticContact CZ-CZ 3.73Å; F85-F219 HydrophobicContact CZ-CZ 3.73Å
86	Q	98.3	Very high	97.1	Very high	96 Å²	96	33.2 Å²	33.2	45%	0.449	18%	0.182	S	C	.	.	S	Bend	trans	-75.7	-24.3	168.7	-76.1	67.1	44.6	0	0	111.6	H44 L45	H44-Q86 VanDerWaalsContact CE1-CB 3.5Å; H44-Q86 WeakPolarHBondContact CE1-CB 3.48Å; H44-Q86 WeakPolarHBondContact ND1-CB 3.09Å; L45-Q86 PolarHBondContact O-N 3.42Å; L45-Q86 PolarHBondContact O-OE1 3.24Å
87	S	98.6	Very high	97.1	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	145.6	175.4	62.2	0	0	0	0	111.8	H44 A46 A47 F85 W89	H44-S87 PolarHBondContact NE2-OG 3.38Å; A46-S87 CarbonylContact C-O 3.49Å; A46-S87 WeakPolarHBondContact CA-O 3.37Å; A46-S87 WeakPolarHBondContact CB-OG 3.37Å; A47-S87 PolarHBondContact N-O 2.89Å; F85-S87 VanDerWaalsContact C-N 3.31Å; S87-W89 VanDerWaalsContact OG-CD1 3.28Å; S87-W89 PolarHBondContact OG-NE1 3.41Å
88	V	98.8	Very high	97.1	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.073	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.3	173.7	-178.6	0	0	0	0	108.9	A47 I49 L76 A79 L80 F85 A106 Q107	A47-V88 HydrophobicContact CB-CB 4.34Å; A47-V88 HydrophobicContact CB-CG1 4.1Å; A47-V88 HydrophobicContact CB-CG2 4.11Å; I49-V88 HydrophobicContact CD1-CG1 4.28Å; L76-V88 HydrophobicContact CD2-CG1 3.68Å; A79-V88 HydrophobicContact CB-CG1 4.15Å; A79-V88 HydrophobicContact CB-CG2 4.32Å; L80-V88 HydrophobicContact CD2-CB 3.94Å; L80-V88 HydrophobicContact CD2-CG1 4.44Å; L80-V88 HydrophobicContact CD2-CG2 3.68Å; L80-V88 HydrophobicContact CG-CB 4.38Å; L80-V88 HydrophobicContact CG-CG1 4.38Å; L80-V88 HydrophobicContact CG-CG2 4.09Å; F85-V88 HydrophobicContact CB-CG2 4.23Å; V88-A106 HydrophobicContact CG1-CB 4.32Å; V88-Q107 PolarHBondContact O-N 3.48Å
89	W	98.9	Very high	96.9	Very high	20 Å²	20	37 Å²	37	8%	0.076	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.1	-172.7	-66.9	90.2	0	0	0	112.4	A47 L48 I49 S87 Q107 H109 F129 H133	A47-W89 PolarHBondContact O-N 2.82Å; L48-W89 HydrophobicContact CD1-CB 3.97Å; I49-W89 WeakPolarHBondContact CD1-O 3.36Å; I49-W89 PolarHBondContact N-O 2.88Å; S87-W89 VanDerWaalsContact OG-CD1 3.28Å; S87-W89 PolarHBondContact OG-NE1 3.41Å; W89-Q107 CarbonylContact C-O 3.59Å; W89-Q107 VanDerWaalsContact CA-O 3.32Å; W89-Q107 WeakPolarHBondContact CA-O 3.36Å; W89-Q107 HydrophobicContact CD2-CB 3.63Å; W89-Q107 HydrophobicContact CE3-CB 3.4Å; W89-Q107 HydrophobicContact CG-CB 4.34Å; W89-Q107 HydrophobicContact CH2-CB 3.9Å; W89-Q107 HydrophobicContact CH2-CG 4.45Å; W89-Q107 HydrophobicContact CZ2-CB 4.14Å; W89-Q107 HydrophobicContact CZ2-CG 4.48Å; W89-Q107 HydrophobicContact CZ3-CB 3.55Å; W89-H109 HydrophobicContact CE3-CB 4.31Å; W89-F129 HydrophobicContact CB-CE2 3.93Å; W89-F129 HydrophobicContact CB-CZ 4.13Å; W89-F129 AromaticContact CD1-CZ 3.68Å; W89-F129 AromaticContact CD2-CE2 3.66Å; W89-F129 HydrophobicContact CD2-CE2 3.66Å; W89-F129 AromaticContact CD2-CZ 3.95Å; W89-F129 HydrophobicContact CD2-CZ 3.95Å; W89-F129 AromaticContact CE3-CE2 3.96Å; W89-F129 HydrophobicContact CE3-CE2 3.96Å; W89-F129 AromaticContact CG-CE2 3.65Å; W89-F129 HydrophobicContact CG-CE2 3.65Å; W89-F129 AromaticContact CG-CZ 3.67Å; W89-F129 HydrophobicContact CG-CZ 3.67Å; W89-F129 AromaticContact NE1-CZ 3.92Å; W89-H133 AromaticContact CH2-CE1 3.26Å; W89-H133 WeakPolarHBondContact CH2-CE1 3.31Å; W89-H133 AromaticContact CH2-ND1 3.69Å; W89-H133 AromaticContact CZ2-CE1 3.81Å; W89-H133 AromaticContact CZ2-ND1 3.76Å; W89-H133 AromaticContact CZ3-CE1 3.49Å; W89-H133 VanDerWaalsContact CZ3-CE1 3.49Å; W89-H133 WeakPolarHBondContact CZ3-CE1 3.46Å; W89-H133 AromaticContact CZ3-NE2 3.93Å
90	V	98.8	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.6	164.7	-178.6	0	0	0	0	108.8	I49 A51 L76 I97 A101 A106 Q107 V108 H109	I49-V90 HydrophobicContact CB-CG2 4.34Å; I49-V90 CarbonylContact O-C 3.42Å; I49-V90 WeakPolarHBondContact O-CA 3.45Å; A51-V90 HydrophobicContact CB-CG1 4.02Å; L76-V90 HydrophobicContact CD1-CG2 3.95Å; L76-V90 HydrophobicContact CD2-CG2 3.75Å; L76-V90 HydrophobicContact CG-CG2 4.33Å; V90-I97 HydrophobicContact CG1-CG2 4.34Å; V90-A101 HydrophobicContact CB-CB 3.76Å; V90-A101 HydrophobicContact CG1-CB 4.13Å; V90-A101 HydrophobicContact CG2-CB 3.58Å; V90-A106 HydrophobicContact CG2-CB 3.98Å; V90-Q107 PolarHBondContact N-O 3.33Å; V90-V108 WeakPolarHBondContact O-CA 3.07Å; V90-H109 PolarHBondContact O-N 3.07Å
91	S	98.5	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.9	172.6	179.2	0	0	0	0	109.4	I49 A51 H109 R111	I49-S91 PolarHBondContact O-N 3.11Å; A51-S91 PolarHBondContact N-O 2.99Å; S91-H109 WeakPolarHBondContact CA-O 3.43Å; S91-R111 WeakPolarHBondContact OG-CD 3.46Å
92	T	97.9	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.1	-173.6	-167.1	0	0	0	0	113.1	A51 H94 I97 E98 V108 H109 R110 R111	A51-T92 WeakPolarHBondContact O-CA 3.35Å; A51-T92 WeakPolarHBondContact O-CB 3.31Å; A51-T92 PolarHBondContact O-OG1 3.4Å; T92-H94 PolarHBondContact OG1-N 3.15Å; T92-I97 HydrophobicContact CG2-CB 4.27Å; T92-I97 HydrophobicContact CG2-CG2 4.17Å; T92-I97 WeakPolarHBondContact OG1-CB 3.37Å; T92-I97 WeakPolarHBondContact OG1-CG2 3.23Å; T92-E98 HydrophobicContact CG2-CB 4.16Å; T92-V108 HydrophobicContact CG2-CG1 3.95Å; T92-H109 PolarHBondContact N-O 3.49Å; T92-R110 WeakPolarHBondContact O-CA 3.34Å; T92-R111 PolarHBondContact O-N 3.43Å
93	D	95.4	Very high	95.8	Very high	49 Å²	49	45.4 Å²	45.4	26%	0.262	24%	0.24	S	C	.	.	S	Bend	trans	-101.4	-4.9	174.8	58.2	-20.6	0	0	0	112.5	R52 G53 R110 R111 S116	R52-D93 VanDerWaalsContact CA-OD1 3.28Å; R52-D93 WeakPolarHBondContact CA-OD1 3.49Å; G53-D93 PolarHBondContact N-OD1 3.23Å; D93-R110 PolarHBondContact O-NH2 3.33Å; D93-R110 VanDerWaalsContact O-NH2 3.13Å; D93-R111 HydrophobicContact CB-CG 4.26Å; D93-S116 VanDerWaalsContact OD2-CB 3.24Å; D93-S116 WeakPolarHBondContact OD2-CB 3.42Å; D93-S116 PolarHBondContact OD2-OG 2.8Å
94	H	96.1	Very high	95.6	Very high	59 Å²	59	44.9 Å²	44.9	27%	0.273	22%	0.219	S	C	.	.			trans	-120.2	133.1	-167.2	-162.2	-79.1	0	0	0	113.5	T92 E96 I97 E98	T92-H94 PolarHBondContact OG1-N 3.15Å; H94-E96 PolarHBondContact ND1-N 2.79Å; H94-E96 PolarHBondContact O-N 3.38Å; H94-I97 HydrophobicContact CB-CB 4.32Å; H94-I97 HydrophobicContact CB-CD1 3.92Å; H94-I97 HydrophobicContact CB-CG1 3.95Å; H94-I97 PolarHBondContact O-N 3.37Å; H94-E98 PolarHBondContact O-N 3.43Å; H94-E98 VanDerWaalsContact O-N 3.08Å
95	D	95.4	Very high	95.5	Very high	96 Å²	96	47 Å²	47	51%	0.513	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-41.2	-174.3	-62.1	-15.8	0	0	0	113	I97 E98 N99 R110	D95-I97 VanDerWaalsContact C-N 3.29Å; D95-I97 PolarHBondContact O-N 3.09Å; D95-E98 WeakPolarHBondContact O-CB 3.45Å; D95-E98 PolarHBondContact O-N 3.43Å; D95-N99 PolarHBondContact O-N 2.92Å; D95-N99 PolarHBondContact O-ND2 3.37Å; D95-R110 IonicContact OD1-CZ 3.03Å; D95-R110 IonicContact OD1-NH1 2.71Å; D95-R110 PolarHBondContact OD1-NH1 3.46Å; D95-R110 IonicContact OD1-NH2 2.79Å; D95-R110 PolarHBondContact OD1-NH2 2.97Å
96	E	93.1	Very high	95.4	Very high	103 Å²	103	46.2 Å²	46.2	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-35.5	177.2	-63.7	-177.7	-167.8	0	0	112.6	I63 H94 N99 V100	I63-E96 HydrophobicContact CD1-CB 3.64Å; H94-E96 PolarHBondContact ND1-N 2.79Å; H94-E96 PolarHBondContact O-N 3.38Å; E96-N99 PolarHBondContact O-N 3.35Å; E96-V100 WeakPolarHBondContact O-CG2 3.43Å; E96-V100 PolarHBondContact O-N 3.29Å; E96-V100 VanDerWaalsContact O-N 3.1Å
97	I	96.3	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.5	-39.8	178.1	-57.9	-176.5	0	0	0	110	A51 R52 L60 N62 I63 I72 V90 T92 H94 D95 N99 V100 A101	A51-I97 HydrophobicContact CB-CG2 3.74Å; R52-I97 WeakPolarHBondContact O-CD1 3.28Å; L60-I97 HydrophobicContact CD2-CD1 4.36Å; L60-I97 HydrophobicContact CD2-CG1 4.43Å; N62-I97 HydrophobicContact CB-CD1 4.29Å; I63-I97 HydrophobicContact CD1-CG1 4.22Å; I63-I97 HydrophobicContact CG1-CG1 4.34Å; I63-I97 HydrophobicContact CG2-CB 4.24Å; I63-I97 HydrophobicContact CG2-CG1 3.84Å; I63-I97 HydrophobicContact CG2-CG2 4.35Å; I72-I97 HydrophobicContact CD1-CG2 4.04Å; V90-I97 HydrophobicContact CG1-CG2 4.34Å; T92-I97 HydrophobicContact CG2-CB 4.27Å; T92-I97 HydrophobicContact CG2-CG2 4.17Å; T92-I97 WeakPolarHBondContact OG1-CB 3.37Å; T92-I97 WeakPolarHBondContact OG1-CG2 3.23Å; H94-I97 HydrophobicContact CB-CB 4.32Å; H94-I97 HydrophobicContact CB-CD1 3.92Å; H94-I97 HydrophobicContact CB-CG1 3.95Å; H94-I97 PolarHBondContact O-N 3.37Å; D95-I97 VanDerWaalsContact C-N 3.29Å; D95-I97 PolarHBondContact O-N 3.09Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 3.15Å; I97-V100 PolarHBondContact O-N 3.13Å; I97-A101 WeakPolarHBondContact O-CB 3.5Å; I97-A101 PolarHBondContact O-N 3.28Å
98	E	97.4	Very high	95.5	Very high	34 Å²	34	47 Å²	47	16%	0.159	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-46.2	172.4	166.8	172.9	-177.8	0	0	111.7	T92 H94 D95 V100 A101 K102 V108 R110	T92-E98 HydrophobicContact CG2-CB 4.16Å; H94-E98 PolarHBondContact O-N 3.43Å; H94-E98 VanDerWaalsContact O-N 3.08Å; D95-E98 WeakPolarHBondContact O-CB 3.45Å; D95-E98 PolarHBondContact O-N 3.43Å; E98-V100 PolarHBondContact O-N 3.39Å; E98-A101 PolarHBondContact O-N 3.16Å; E98-K102 HydrophobicContact CG-CD 4.08Å; E98-K102 WeakPolarHBondContact O-CG 3.37Å; E98-K102 PolarHBondContact O-N 2.62Å; E98-K102 VanDerWaalsContact OE1-CE 3.28Å; E98-K102 WeakPolarHBondContact OE1-CE 3.3Å; E98-K102 IonicContact OE1-NZ 3.63Å; E98-K102 PolarHBondContact OE1-NZ 3.19Å; E98-V108 HydrophobicContact CB-CG1 4.01Å; E98-V108 HydrophobicContact CG-CB 4.27Å; E98-V108 HydrophobicContact CG-CG1 3.89Å; E98-V108 HydrophobicContact CG-CG2 4.12Å; E98-R110 VanDerWaalsContact OE2-CD 3.32Å; E98-R110 WeakPolarHBondContact OE2-CD 3.35Å; E98-R110 IonicContact OE2-CZ 3.8Å; E98-R110 IonicContact OE2-NE 3.74Å; E98-R110 IonicContact OE2-NH1 3.3Å; E98-R110 PolarHBondContact OE2-NH1 3.05Å
99	N	92.2	Very high	95.4	Very high	91 Å²	91	47 Å²	47	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-45.5	179.5	-71.1	-29.2	0	0	0	111.6	D95 E96 I97 K102 Q103	D95-N99 PolarHBondContact O-N 2.92Å; D95-N99 PolarHBondContact O-ND2 3.37Å; E96-N99 PolarHBondContact O-N 3.35Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 3.15Å; N99-K102 PolarHBondContact O-N 3.04Å; N99-Q103 VanDerWaalsContact O-CG 3.3Å; N99-Q103 WeakPolarHBondContact O-CG 3.45Å; N99-Q103 PolarHBondContact O-N 3.01Å
100	V	91.1	Very high	95.4	Very high	17 Å²	17	51.5 Å²	51.5	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-45.2	175.6	174.8	0	0	0	0	110.8	I63 P70 I72 E96 I97 E98 K102 Q103 F104	I63-V100 HydrophobicContact CB-CG2 4.34Å; I63-V100 HydrophobicContact CG2-CB 3.95Å; I63-V100 HydrophobicContact CG2-CG1 4.17Å; I63-V100 HydrophobicContact CG2-CG2 3.84Å; P70-V100 HydrophobicContact CB-CG1 3.65Å; P70-V100 HydrophobicContact CG-CG1 3.89Å; I72-V100 HydrophobicContact CD1-CB 4.19Å; I72-V100 HydrophobicContact CD1-CG1 3.78Å; I72-V100 HydrophobicContact CG1-CG1 3.92Å; E96-V100 WeakPolarHBondContact O-CG2 3.43Å; E96-V100 PolarHBondContact O-N 3.29Å; E96-V100 VanDerWaalsContact O-N 3.1Å; I97-V100 PolarHBondContact O-N 3.13Å; E98-V100 PolarHBondContact O-N 3.39Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.33Å; V100-Q103 WeakPolarHBondContact O-CB 3.36Å; V100-Q103 PolarHBondContact O-N 3.02Å; V100-Q103 VanDerWaalsContact O-N 3.15Å; V100-F104 HydrophobicContact CG1-CD2 4.03Å; V100-F104 HydrophobicContact CG1-CE2 4.08Å; V100-F104 WeakPolarHBondContact O-CD2 3.29Å; V100-F104 PolarHBondContact O-N 3.24Å; V100-F104 VanDerWaalsContact O-N 3.15Å
101	A	96	Very high	95.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-44.8	178	0	0	0	0	0	112.3	I72 V90 I97 E98 F104 G105 A106 V108	I72-A101 HydrophobicContact CD1-CB 4.41Å; V90-A101 HydrophobicContact CB-CB 3.76Å; V90-A101 HydrophobicContact CG1-CB 4.13Å; V90-A101 HydrophobicContact CG2-CB 3.58Å; I97-A101 WeakPolarHBondContact O-CB 3.5Å; I97-A101 PolarHBondContact O-N 3.28Å; E98-A101 PolarHBondContact O-N 3.16Å; A101-F104 PolarHBondContact O-N 3.28Å; A101-G105 PolarHBondContact O-N 3.46Å; A101-A106 HydrophobicContact CB-CB 4.47Å; A101-A106 WeakPolarHBondContact O-CB 2.98Å; A101-A106 PolarHBondContact O-N 3.22Å; A101-V108 HydrophobicContact CB-CG2 3.64Å
102	K	92.1	Very high	95	Very high	114 Å²	114	54.3 Å²	54.3	50%	0.496	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-40.6	176	-74.9	172.9	170	172.9	0	112.5	E98 N99 V100 F104 G105 V108	E98-K102 HydrophobicContact CG-CD 4.08Å; E98-K102 WeakPolarHBondContact O-CG 3.37Å; E98-K102 PolarHBondContact O-N 2.62Å; E98-K102 VanDerWaalsContact OE1-CE 3.28Å; E98-K102 WeakPolarHBondContact OE1-CE 3.3Å; E98-K102 IonicContact OE1-NZ 3.63Å; E98-K102 PolarHBondContact OE1-NZ 3.19Å; N99-K102 PolarHBondContact O-N 3.04Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.33Å; K102-F104 PolarHBondContact O-N 3.05Å; K102-G105 PolarHBondContact O-N 3.16Å; K102-V108 HydrophobicContact CG-CG2 4.09Å
103	Q	87.3	Confident	94.6	Very high	150 Å²	150	58 Å²	58	70%	0.701	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-34.4	176.4	-73.7	170	-10.5	0	0	112.5	N99 V100 G105	N99-Q103 VanDerWaalsContact O-CG 3.3Å; N99-Q103 WeakPolarHBondContact O-CG 3.45Å; N99-Q103 PolarHBondContact O-N 3.01Å; V100-Q103 WeakPolarHBondContact O-CB 3.36Å; V100-Q103 PolarHBondContact O-N 3.02Å; V100-Q103 VanDerWaalsContact O-N 3.15Å; Q103-G105 VanDerWaalsContact C-N 3.25Å; Q103-G105 PolarHBondContact O-N 3.21Å
104	F	91.9	Very high	94.4	Very high	56 Å²	56	61 Å²	61	25%	0.246	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.4	175.2	-80.2	-96	0	0	0	113.4	V69 P70 G73 L76 L80 V100 A101 K102	V69-F104 HydrophobicContact CG1-CE1 4.11Å; V69-F104 HydrophobicContact CG1-CZ 3.8Å; P70-F104 HydrophobicContact CG-CE2 4.38Å; G73-F104 VanDerWaalsContact CA-CE1 3.4Å; L76-F104 HydrophobicContact CB-CB 4.25Å; L76-F104 HydrophobicContact CD1-CB 3.81Å; L76-F104 HydrophobicContact CD1-CG 4.39Å; L80-F104 WeakPolarHBondContact CD1-O 3.4Å; V100-F104 HydrophobicContact CG1-CD2 4.03Å; V100-F104 HydrophobicContact CG1-CE2 4.08Å; V100-F104 WeakPolarHBondContact O-CD2 3.29Å; V100-F104 PolarHBondContact O-N 3.24Å; V100-F104 VanDerWaalsContact O-N 3.15Å; A101-F104 PolarHBondContact O-N 3.28Å; K102-F104 PolarHBondContact O-N 3.05Å
105	G	92.7	Very high	94.1	Very high	57 Å²	57	59 Å²	59	59%	0.588	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	17	178.8	0	0	0	0	0	114.5	A101 K102 Q103	A101-G105 PolarHBondContact O-N 3.46Å; K102-G105 PolarHBondContact O-N 3.16Å; Q103-G105 VanDerWaalsContact C-N 3.25Å; Q103-G105 PolarHBondContact O-N 3.21Å
106	A	97.6	Very high	93.8	Very high	7 Å²	7	55 Å²	55	6%	0.058	29%	0.286	C	S	.	.			trans	-87.5	148.7	174.5	0	0	0	0	0	111.6	L76 V88 V90 A101	L76-A106 HydrophobicContact CD1-CB 4.07Å; L76-A106 HydrophobicContact CD2-CB 3.68Å; L76-A106 HydrophobicContact CG-CB 4.47Å; V88-A106 HydrophobicContact CG1-CB 4.32Å; V90-A106 HydrophobicContact CG2-CB 3.98Å; A101-A106 HydrophobicContact CB-CB 4.47Å; A101-A106 WeakPolarHBondContact O-CB 2.98Å; A101-A106 PolarHBondContact O-N 3.22Å
107	Q	98.6	Very high	93.6	Very high	93 Å²	93	55.5 Å²	55.5	44%	0.435	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	154	167.9	-62.1	-177.5	70.2	0	0	109.6	V88 W89 V90	V88-Q107 PolarHBondContact O-N 3.48Å; W89-Q107 CarbonylContact C-O 3.59Å; W89-Q107 VanDerWaalsContact CA-O 3.32Å; W89-Q107 WeakPolarHBondContact CA-O 3.36Å; W89-Q107 HydrophobicContact CD2-CB 3.63Å; W89-Q107 HydrophobicContact CE3-CB 3.4Å; W89-Q107 HydrophobicContact CG-CB 4.34Å; W89-Q107 HydrophobicContact CH2-CB 3.9Å; W89-Q107 HydrophobicContact CH2-CG 4.45Å; W89-Q107 HydrophobicContact CZ2-CB 4.14Å; W89-Q107 HydrophobicContact CZ2-CG 4.48Å; W89-Q107 HydrophobicContact CZ3-CB 3.55Å; V90-Q107 PolarHBondContact N-O 3.33Å
108	V	98.6	Very high	93	Very high	30 Å²	30	59.2 Å²	59.2	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130	-176.5	-179.1	0	0	0	0	110.2	V90 T92 E98 A101 K102	V90-V108 WeakPolarHBondContact O-CA 3.07Å; T92-V108 HydrophobicContact CG2-CG1 3.95Å; E98-V108 HydrophobicContact CB-CG1 4.01Å; E98-V108 HydrophobicContact CG-CB 4.27Å; E98-V108 HydrophobicContact CG-CG1 3.89Å; E98-V108 HydrophobicContact CG-CG2 4.12Å; A101-V108 HydrophobicContact CB-CG2 3.64Å; K102-V108 HydrophobicContact CG-CG2 4.09Å
109	H	98.4	Very high	92.5	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.6	167.5	174.5	84.7	0	0	0	108.3	W89 V90 S91 T92 R111 E128 F129 Y132 H133	W89-H109 HydrophobicContact CE3-CB 4.31Å; V90-H109 PolarHBondContact O-N 3.07Å; S91-H109 WeakPolarHBondContact CA-O 3.43Å; T92-H109 PolarHBondContact N-O 3.49Å; H109-R111 PolarHBondContact O-N 2.93Å; H109-E128 IonicContact NE2-OE1 2.64Å; H109-F129 HydrophobicContact CB-CD2 3.81Å; H109-F129 HydrophobicContact CB-CE2 4.19Å; H109-F129 AromaticContact CG-CD2 3.77Å; H109-Y132 AromaticContact CE1-CD2 3.67Å; H109-Y132 AromaticContact CE1-CG 4Å; H109-H133 AromaticContact CG-NE2 3.95Å; H109-H133 AromaticContact ND1-CD2 3.67Å; H109-H133 AromaticContact ND1-NE2 3.19Å; H109-H133 PolarHBondContact ND1-NE2 3.17Å; H109-H133 VanDerWaalsContact ND1-NE2 3.19Å
110	R	98	Very high	92.3	Very high	113 Å²	113	59.4 Å²	59.4	43%	0.426	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	110.3	174.4	-71.1	-60.7	-67.5	-102.2	7.1	109.2	T92 D93 D95 E98	T92-R110 WeakPolarHBondContact O-CA 3.34Å; D93-R110 PolarHBondContact O-NH2 3.33Å; D93-R110 VanDerWaalsContact O-NH2 3.13Å; D95-R110 IonicContact OD1-CZ 3.03Å; D95-R110 IonicContact OD1-NH1 2.71Å; D95-R110 PolarHBondContact OD1-NH1 3.46Å; D95-R110 IonicContact OD1-NH2 2.79Å; D95-R110 PolarHBondContact OD1-NH2 2.97Å; E98-R110 VanDerWaalsContact OE2-CD 3.32Å; E98-R110 WeakPolarHBondContact OE2-CD 3.35Å; E98-R110 IonicContact OE2-CZ 3.8Å; E98-R110 IonicContact OE2-NE 3.74Å; E98-R110 IonicContact OE2-NH1 3.3Å; E98-R110 PolarHBondContact OE2-NH1 3.05Å
111	R	94.4	Very high	92.4	Very high	24 Å²	24	62 Å²	62	9%	0.091	34%	0.335	C	S	.	.			trans	-91	159.9	-178.4	74.3	179.1	178	178.2	-14.8	112.2	S91 T92 D93 H109 V115 S116 E128	S91-R111 WeakPolarHBondContact OG-CD 3.46Å; T92-R111 PolarHBondContact O-N 3.43Å; D93-R111 HydrophobicContact CB-CG 4.26Å; H109-R111 PolarHBondContact O-N 2.93Å; R111-V115 HydrophobicContact CB-CG2 3.92Å; R111-V115 HydrophobicContact CG-CG2 4.12Å; R111-V115 PolarHBondContact NH1-O 3.19Å; R111-S116 WeakPolarHBondContact CG-OG 3.1Å; R111-S116 PolarHBondContact NE-OG 2.82Å; R111-E128 WeakPolarHBondContact CA-OE1 3.43Å; R111-E128 WeakPolarHBondContact CB-OE1 3.45Å
112	S	94	Very high	92.3	Very high	35 Å²	35	64.4 Å²	64.4	25%	0.245	35%	0.352	C	S	.	.			trans	-74.5	164.7	-179.1	99.6	0	0	0	0	112.4	E114 S116 E128	S112-E114 WeakPolarHBondContact CB-OE2 3.43Å; S112-E114 PolarHBondContact O-N 3.27Å; S112-E114 WeakPolarHBondContact OG-CB 3.21Å; S112-E114 PolarHBondContact OG-N 2.91Å; S112-E114 VanDerWaalsContact OG-N 3.15Å; S112-E114 PolarHBondContact OG-OE2 3.22Å; S112-S116 PolarHBondContact O-OG 3.09Å; S112-E128 PolarHBondContact N-OE1 3.3Å; S112-E128 PolarHBondContact OG-OE2 3.17Å
113	S	90.6	Very high	92.5	Very high	79 Å²	79	60.3 Å²	60.3	55%	0.552	34%	0.335	S	S	*	.	S	Bend	trans	-69.5	-25.2	175.5	74.7	0	0	0	0	112.2	S116 K117	S113-S116 PolarHBondContact O-N 3.02Å; S113-K117 WeakPolarHBondContact O-CG 3.3Å
114	E	90.6	Very high	92.9	Very high	111 Å²	111	56.5 Å²	56.5	52%	0.519	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.2	-42.4	-178.2	-65.1	70	-156.7	0	0	111.9	S112 S116 S120	S112-E114 WeakPolarHBondContact CB-OE2 3.43Å; S112-E114 PolarHBondContact O-N 3.27Å; S112-E114 WeakPolarHBondContact OG-CB 3.21Å; S112-E114 PolarHBondContact OG-N 2.91Å; S112-E114 VanDerWaalsContact OG-N 3.15Å; S112-E114 PolarHBondContact OG-OE2 3.22Å; E114-S116 VanDerWaalsContact C-N 3.28Å; E114-S116 PolarHBondContact O-N 3.4Å; E114-S120 PolarHBondContact O-OG 2.66Å
115	V	90.8	Very high	93.2	Very high	18 Å²	18	53.9 Å²	53.9	11%	0.109	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-88.4	6.5	176.9	-61.8	0	0	0	0	113.4	R111 D124 A125 E128	R111-V115 HydrophobicContact CB-CG2 3.92Å; R111-V115 HydrophobicContact CG-CG2 4.12Å; R111-V115 PolarHBondContact NH1-O 3.19Å; V115-D124 HydrophobicContact CG1-CB 4.12Å; V115-A125 HydrophobicContact CB-CB 4.23Å; V115-A125 HydrophobicContact CG2-CB 4.47Å; V115-E128 HydrophobicContact CG1-CB 4.27Å; V115-E128 VanDerWaalsContact CG1-OE2 3.29Å; V115-E128 WeakPolarHBondContact CG1-OE2 3.46Å; V115-E128 VanDerWaalsContact CG2-CD 3.46Å; V115-E128 WeakPolarHBondContact CG2-OE1 3.42Å; V115-E128 WeakPolarHBondContact CG2-OE2 3.32Å
116	S	88.6	Confident	93.4	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.084	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-107.2	0.1	179.4	-59	0	0	0	0	113.4	R52 D93 R111 S112 S113 E114	R52-S116 WeakPolarHBondContact CD-O 3.44Å; D93-S116 VanDerWaalsContact OD2-CB 3.24Å; D93-S116 WeakPolarHBondContact OD2-CB 3.42Å; D93-S116 PolarHBondContact OD2-OG 2.8Å; R111-S116 WeakPolarHBondContact CG-OG 3.1Å; R111-S116 PolarHBondContact NE-OG 2.82Å; S112-S116 PolarHBondContact O-OG 3.09Å; S113-S116 PolarHBondContact O-N 3.02Å; E114-S116 VanDerWaalsContact C-N 3.28Å; E114-S116 PolarHBondContact O-N 3.4Å
117	K	88.3	Confident	93.5	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	29%	0.29	S	S	.	.	S	Bend	trans	-70.7	161	178.3	-56.4	174.9	179.3	168.1	0	111.3	R52 S113 S119 S120	R52-K117 PolarHBondContact NH1-O 3.01Å; S113-K117 WeakPolarHBondContact O-CG 3.3Å; K117-S119 PolarHBondContact O-N 3.2Å; K117-S120 WeakPolarHBondContact CB-OG 3.25Å; K117-S120 PolarHBondContact N-OG 2.74Å; K117-S120 WeakPolarHBondContact O-CB 3.47Å; K117-S120 PolarHBondContact O-N 3.21Å; K117-S120 VanDerWaalsContact O-N 3.16Å; K117-S120 PolarHBondContact O-OG 2.95Å
118	D	84.1	Confident	93.4	Very high	78 Å²	78	50.2 Å²	50.2	42%	0.417	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.7	176.3	-71.7	-42.8	0	0	0	114.3	R52 K56	R52-D118 IonicContact CZ-OD1 3.43Å; R52-D118 IonicContact NE-OD1 3.89Å; R52-D118 IonicContact NH1-OD1 3.34Å; R52-D118 IonicContact NH2-OD1 2.69Å; R52-D118 PolarHBondContact NH2-OD1 2.65Å; K56-D118 HydrophobicContact CD-CB 4.16Å; K56-D118 WeakPolarHBondContact CE-OD2 3.44Å; K56-D118 WeakPolarHBondContact CG-OD1 3.09Å; K56-D118 WeakPolarHBondContact CG-OD2 3.47Å
119	S	86.4	Confident	93.4	Very high	103 Å²	103	48.8 Å²	48.8	72%	0.72	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.4	175.3	57.4	0	0	0	0	113.2	K117	K117-S119 PolarHBondContact O-N 3.2Å
120	S	88.9	Confident	93.4	Very high	26 Å²	26	48.3 Å²	48.3	18%	0.182	27%	0.265	C	S	.	.			trans	-75.3	140.4	-178.8	-50	0	0	0	0	109.8	E114 K117	E114-S120 PolarHBondContact O-OG 2.66Å; K117-S120 WeakPolarHBondContact CB-OG 3.25Å; K117-S120 PolarHBondContact N-OG 2.74Å; K117-S120 WeakPolarHBondContact O-CB 3.47Å; K117-S120 PolarHBondContact O-N 3.21Å; K117-S120 VanDerWaalsContact O-N 3.16Å; K117-S120 PolarHBondContact O-OG 2.95Å
121	T	93.1	Very high	93.4	Very high	70 Å²	70	47.7 Å²	47.7	43%	0.429	27%	0.27	S	S	.	.			trans	-86.8	159.8	-179	71	0	0	0	0	110.9	L123 D124	T121-L123 PolarHBondContact O-N 3.08Å; T121-L123 PolarHBondContact OG1-N 2.94Å; T121-D124 WeakPolarHBondContact CB-OD2 3.25Å; T121-D124 PolarHBondContact N-OD2 3.34Å; T121-D124 PolarHBondContact O-N 2.83Å; T121-D124 PolarHBondContact OG1-N 2.96Å; T121-D124 VanDerWaalsContact OG1-N 3.12Å; T121-D124 PolarHBondContact OG1-OD1 2.94Å; T121-D124 PolarHBondContact OG1-OD2 2.55Å
122	S	94	Very high	93.6	Very high	52 Å²	52	54.6 Å²	54.6	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-37.2	170	-59.7	0	0	0	0	111.2	D124 A125 I126	S122-D124 PolarHBondContact O-N 3.12Å; S122-A125 PolarHBondContact O-N 2.81Å; S122-I126 VanDerWaalsContact O-CG1 3.23Å; S122-I126 WeakPolarHBondContact O-CG1 3.32Å; S122-I126 PolarHBondContact O-N 3.29Å; S122-I126 VanDerWaalsContact O-N 3.1Å
123	L	95.8	Very high	93.8	Very high	28 Å²	28	54.1 Å²	54.1	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-41.7	-179	-174.5	64.5	0	0	0	112.2	T121 A125 I126 I127 I225 G228 L230	T121-L123 PolarHBondContact O-N 3.08Å; T121-L123 PolarHBondContact OG1-N 2.94Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.07Å; L123-I126 PolarHBondContact O-N 2.95Å; L123-I126 VanDerWaalsContact O-N 3.14Å; L123-I127 HydrophobicContact CD1-CD1 4.32Å; L123-I127 HydrophobicContact CD1-CG1 4.44Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 HydrophobicContact CG-CG1 4.45Å; L123-I127 WeakPolarHBondContact O-CG1 3.35Å; L123-I127 PolarHBondContact O-N 2.92Å; L123-I225 HydrophobicContact CD1-CG2 3.87Å; L123-G228 WeakPolarHBondContact CD2-O 3.47Å; L123-L230 HydrophobicContact CB-CD1 4.38Å; L123-L230 HydrophobicContact CD1-CB 4.46Å; L123-L230 HydrophobicContact CD1-CD1 4.44Å
124	D	95.9	Very high	94.1	Very high	69 Å²	69	56.1 Å²	56.1	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-44.4	177.9	-59.2	-41.5	0	0	0	111.4	V115 T121 S122 I127 E128	V115-D124 HydrophobicContact CG1-CB 4.12Å; T121-D124 WeakPolarHBondContact CB-OD2 3.25Å; T121-D124 PolarHBondContact N-OD2 3.34Å; T121-D124 PolarHBondContact O-N 2.83Å; T121-D124 PolarHBondContact OG1-N 2.96Å; T121-D124 VanDerWaalsContact OG1-N 3.12Å; T121-D124 PolarHBondContact OG1-OD1 2.94Å; T121-D124 PolarHBondContact OG1-OD2 2.55Å; S122-D124 PolarHBondContact O-N 3.12Å; D124-I127 PolarHBondContact O-N 2.9Å; D124-E128 PolarHBondContact O-N 2.66Å
125	A	97.1	Very high	94.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-70.4	-30.7	178.8	0	0	0	0	0	113.2	L50 V115 S122 L123 F129	L50-A125 HydrophobicContact CD1-CB 4.06Å; L50-A125 HydrophobicContact CD2-CB 4Å; V115-A125 HydrophobicContact CB-CB 4.23Å; V115-A125 HydrophobicContact CG2-CB 4.47Å; S122-A125 PolarHBondContact O-N 2.81Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.07Å; A125-F129 PolarHBondContact O-N 3.47Å; A125-F129 VanDerWaalsContact O-N 3.15Å
126	I	98.3	Very high	94.8	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-71.5	-42.5	174.5	-62.2	163.5	0	0	0	110.3	L48 L50 S122 L123 F129 L130 V139 N141 I225 L230	L48-I126 HydrophobicContact CD2-CB 4.27Å; L48-I126 HydrophobicContact CD2-CG1 3.91Å; L48-I126 HydrophobicContact CD2-CG2 4.09Å; L50-I126 HydrophobicContact CD1-CG1 4.16Å; L50-I126 HydrophobicContact CD2-CG1 4.49Å; S122-I126 VanDerWaalsContact O-CG1 3.23Å; S122-I126 WeakPolarHBondContact O-CG1 3.32Å; S122-I126 PolarHBondContact O-N 3.29Å; S122-I126 VanDerWaalsContact O-N 3.1Å; L123-I126 PolarHBondContact O-N 2.95Å; L123-I126 VanDerWaalsContact O-N 3.14Å; I126-F129 WeakPolarHBondContact O-CB 3.43Å; I126-F129 PolarHBondContact O-N 2.7Å; I126-L130 HydrophobicContact CG2-CD1 4.24Å; I126-L130 HydrophobicContact CG2-CG 4.5Å; I126-L130 WeakPolarHBondContact O-CG 3.36Å; I126-L130 PolarHBondContact O-N 3.04Å; I126-V139 HydrophobicContact CG2-CB 4.42Å; I126-V139 HydrophobicContact CG2-CG1 3.98Å; I126-V139 HydrophobicContact CG2-CG2 4.2Å; I126-N141 HydrophobicContact CD1-CB 3.92Å; I126-I225 HydrophobicContact CG2-CD1 3.97Å; I126-I225 HydrophobicContact CG2-CG2 3.9Å; I126-L230 HydrophobicContact CD1-CD1 4.06Å
127	I	97.9	Very high	95.2	Very high	50 Å²	50	57 Å²	57	26%	0.256	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-46	175.9	-70.5	168.3	0	0	0	110	L123 D124 F129 L130 N131 I225	L123-I127 HydrophobicContact CD1-CD1 4.32Å; L123-I127 HydrophobicContact CD1-CG1 4.44Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 HydrophobicContact CG-CG1 4.45Å; L123-I127 WeakPolarHBondContact O-CG1 3.35Å; L123-I127 PolarHBondContact O-N 2.92Å; D124-I127 PolarHBondContact O-N 2.9Å; I127-F129 VanDerWaalsContact C-N 3.33Å; I127-F129 PolarHBondContact O-N 3.25Å; I127-L130 PolarHBondContact O-N 2.92Å; I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 2.48Å; I127-N131 PolarHBondContact O-ND2 3.13Å; I127-I225 HydrophobicContact CG1-CG2 3.69Å
128	E	98.1	Very high	95.7	Very high	29 Å²	29	52 Å²	52	14%	0.136	28%	0.278	C	S	.	.	H	α-helix	trans	-55.4	-49.8	175.6	-176.3	176.5	112.3	0	0	111	H109 R111 S112 V115 D124 L130 N131 Y132	H109-E128 IonicContact NE2-OE1 2.64Å; R111-E128 WeakPolarHBondContact CA-OE1 3.43Å; R111-E128 WeakPolarHBondContact CB-OE1 3.45Å; S112-E128 PolarHBondContact N-OE1 3.3Å; S112-E128 PolarHBondContact OG-OE2 3.17Å; V115-E128 HydrophobicContact CG1-CB 4.27Å; V115-E128 VanDerWaalsContact CG1-OE2 3.29Å; V115-E128 WeakPolarHBondContact CG1-OE2 3.46Å; V115-E128 VanDerWaalsContact CG2-CD 3.46Å; V115-E128 WeakPolarHBondContact CG2-OE1 3.42Å; V115-E128 WeakPolarHBondContact CG2-OE2 3.32Å; D124-E128 PolarHBondContact O-N 2.66Å; E128-L130 PolarHBondContact O-N 2.71Å; E128-N131 WeakPolarHBondContact O-CB 3.5Å; E128-N131 PolarHBondContact O-N 3Å; E128-Y132 HydrophobicContact CG-CE2 4.22Å; E128-Y132 VanDerWaalsContact O-CD2 3.28Å; E128-Y132 WeakPolarHBondContact O-CD2 3.16Å
129	F	98.6	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-54.8	-49.6	175.6	170.4	-97.3	0	0	0	112.1	L48 W89 H109 A125 I126 I127 N131 Y132 H133 V136	L48-F129 HydrophobicContact CD1-CD1 4.17Å; L48-F129 HydrophobicContact CD1-CD2 3.84Å; L48-F129 HydrophobicContact CD1-CE1 4.36Å; L48-F129 HydrophobicContact CD1-CE2 4.06Å; L48-F129 HydrophobicContact CD1-CG 3.9Å; L48-F129 HydrophobicContact CD1-CZ 4.32Å; L48-F129 HydrophobicContact CD2-CB 4.11Å; L48-F129 HydrophobicContact CD2-CD1 3.7Å; L48-F129 HydrophobicContact CD2-CE1 4.31Å; L48-F129 HydrophobicContact CD2-CG 3.91Å; W89-F129 HydrophobicContact CB-CE2 3.93Å; W89-F129 HydrophobicContact CB-CZ 4.13Å; W89-F129 AromaticContact CD1-CZ 3.68Å; W89-F129 AromaticContact CD2-CE2 3.66Å; W89-F129 HydrophobicContact CD2-CE2 3.66Å; W89-F129 AromaticContact CD2-CZ 3.95Å; W89-F129 HydrophobicContact CD2-CZ 3.95Å; W89-F129 AromaticContact CE3-CE2 3.96Å; W89-F129 HydrophobicContact CE3-CE2 3.96Å; W89-F129 AromaticContact CG-CE2 3.65Å; W89-F129 HydrophobicContact CG-CE2 3.65Å; W89-F129 AromaticContact CG-CZ 3.67Å; W89-F129 HydrophobicContact CG-CZ 3.67Å; W89-F129 AromaticContact NE1-CZ 3.92Å; H109-F129 HydrophobicContact CB-CD2 3.81Å; H109-F129 HydrophobicContact CB-CE2 4.19Å; H109-F129 AromaticContact CG-CD2 3.77Å; A125-F129 PolarHBondContact O-N 3.47Å; A125-F129 VanDerWaalsContact O-N 3.15Å; I126-F129 WeakPolarHBondContact O-CB 3.43Å; I126-F129 PolarHBondContact O-N 2.7Å; I127-F129 VanDerWaalsContact C-N 3.33Å; I127-F129 PolarHBondContact O-N 3.25Å; F129-N131 PolarHBondContact O-N 3.42Å; F129-Y132 PolarHBondContact O-N 3.47Å; F129-Y132 VanDerWaalsContact O-N 3.08Å; F129-H133 AromaticContact CD2-CD2 3.36Å; F129-H133 WeakPolarHBondContact CD2-CD2 3.3Å; F129-H133 AromaticContact CD2-NE2 3.94Å; F129-H133 HydrophobicContact CE1-CB 4.24Å; F129-H133 HydrophobicContact CE2-CB 4.31Å; F129-H133 AromaticContact CE2-CD2 3.22Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.27Å; F129-H133 AromaticContact CE2-CG 3.73Å; F129-H133 AromaticContact CE2-NE2 3.71Å; F129-H133 HydrophobicContact CZ-CB 4.02Å; F129-H133 AromaticContact CZ-CD2 3.84Å; F129-H133 AromaticContact CZ-CG 3.9Å; F129-H133 PolarHBondContact O-CD2 3.18Å; F129-H133 PolarHBondContact O-N 3.04Å; F129-V136 HydrophobicContact CE1-CG1 4.42Å; F129-V136 HydrophobicContact CE1-CG2 4.07Å; F129-V136 HydrophobicContact CZ-CG2 4.19Å
130	L	98.4	Very high	97	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-24.1	-177.8	-74.8	176.8	0	0	0	114.3	I126 I127 E128 Y132 V136 V139 R222 I225	I126-L130 HydrophobicContact CG2-CD1 4.24Å; I126-L130 HydrophobicContact CG2-CG 4.5Å; I126-L130 WeakPolarHBondContact O-CG 3.36Å; I126-L130 PolarHBondContact O-N 3.04Å; I127-L130 PolarHBondContact O-N 2.92Å; E128-L130 PolarHBondContact O-N 2.71Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 2.98Å; L130-V136 HydrophobicContact CD2-CB 3.93Å; L130-V136 HydrophobicContact CD2-CG1 3.78Å; L130-V139 HydrophobicContact CD1-CG2 3.99Å; L130-V139 HydrophobicContact CD2-CG2 3.62Å; L130-V139 HydrophobicContact CG-CG2 4.03Å; L130-R222 PolarHBondContact O-NH1 3.44Å; L130-R222 PolarHBondContact O-NH2 3.33Å; L130-I225 HydrophobicContact CD1-CB 4.01Å; L130-I225 HydrophobicContact CD1-CD1 3.89Å; L130-I225 HydrophobicContact CD1-CG2 3.66Å
131	N	97.8	Very high	97.5	Very high	101 Å²	101	42.4 Å²	42.4	54%	0.54	22%	0.217	S	C	.	.	H	α-helix	trans	-69.3	-25.9	175.4	-69.1	-28.4	0	0	0	112.9	I127 E128 F129	I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 2.48Å; I127-N131 PolarHBondContact O-ND2 3.13Å; E128-N131 WeakPolarHBondContact O-CB 3.5Å; E128-N131 PolarHBondContact O-N 3Å; F129-N131 PolarHBondContact O-N 3.42Å
132	Y	98.1	Very high	97.7	Very high	168 Å²	168	39.1 Å²	39.1	66%	0.659	20%	0.196	S	C	*	.	H	α-helix	trans	-97	-18.7	177.4	-69.7	-90.9	0	0	0	113.1	H109 E128 F129 L130	H109-Y132 AromaticContact CE1-CD2 3.67Å; H109-Y132 AromaticContact CE1-CG 4Å; E128-Y132 HydrophobicContact CG-CE2 4.22Å; E128-Y132 VanDerWaalsContact O-CD2 3.28Å; E128-Y132 WeakPolarHBondContact O-CD2 3.16Å; F129-Y132 PolarHBondContact O-N 3.47Å; F129-Y132 VanDerWaalsContact O-N 3.08Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 2.98Å
133	H	98.1	Very high	97.9	Very high	25 Å²	25	39.2 Å²	39.2	12%	0.116	19%	0.191	C	C	.	.			trans	-121.6	67.6	-170.7	-65.1	-73.9	0	0	0	111.5	W89 H109 F129 E135 V136 R222	W89-H133 AromaticContact CH2-CE1 3.26Å; W89-H133 WeakPolarHBondContact CH2-CE1 3.31Å; W89-H133 AromaticContact CH2-ND1 3.69Å; W89-H133 AromaticContact CZ2-CE1 3.81Å; W89-H133 AromaticContact CZ2-ND1 3.76Å; W89-H133 AromaticContact CZ3-CE1 3.49Å; W89-H133 VanDerWaalsContact CZ3-CE1 3.49Å; W89-H133 WeakPolarHBondContact CZ3-CE1 3.46Å; W89-H133 AromaticContact CZ3-NE2 3.93Å; H109-H133 AromaticContact CG-NE2 3.95Å; H109-H133 AromaticContact ND1-CD2 3.67Å; H109-H133 AromaticContact ND1-NE2 3.19Å; H109-H133 PolarHBondContact ND1-NE2 3.17Å; H109-H133 VanDerWaalsContact ND1-NE2 3.19Å; F129-H133 AromaticContact CD2-CD2 3.36Å; F129-H133 WeakPolarHBondContact CD2-CD2 3.3Å; F129-H133 AromaticContact CD2-NE2 3.94Å; F129-H133 HydrophobicContact CE1-CB 4.24Å; F129-H133 HydrophobicContact CE2-CB 4.31Å; F129-H133 AromaticContact CE2-CD2 3.22Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.27Å; F129-H133 AromaticContact CE2-CG 3.73Å; F129-H133 AromaticContact CE2-NE2 3.71Å; F129-H133 HydrophobicContact CZ-CB 4.02Å; F129-H133 AromaticContact CZ-CD2 3.84Å; F129-H133 AromaticContact CZ-CG 3.9Å; F129-H133 PolarHBondContact O-CD2 3.18Å; F129-H133 PolarHBondContact O-N 3.04Å; H133-E135 VanDerWaalsContact CA-OE2 3.27Å; H133-E135 WeakPolarHBondContact CA-OE2 3.4Å; H133-E135 IonicContact CG-OE1 3.45Å; H133-E135 IonicContact ND1-OE1 3.28Å; H133-E135 PolarHBondContact ND1-OE1 2.92Å; H133-E135 PolarHBondContact O-N 2.95Å; H133-V136 HydrophobicContact CB-CG2 3.97Å; H133-V136 WeakPolarHBondContact O-CB 3.35Å; H133-V136 PolarHBondContact O-N 3.17Å; H133-V136 VanDerWaalsContact O-N 3.12Å; H133-R222 PolarHBondContact O-NH2 3.23Å
134	N	97.1	Very high	97.8	Very high	121 Å²	121	38 Å²	38	65%	0.647	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.9	-177	-66.6	-46.2	0	0	0	113.8	V136	N134-V136 PolarHBondContact O-N 2.93Å
135	E	97.8	Very high	97.7	Very high	91 Å²	91	35.5 Å²	35.5	43%	0.425	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.8	175.7	72.8	-76.6	-176.5	0	0	113.5	H44 H133	H44-E135 WeakPolarHBondContact CB-O 3.39Å; H133-E135 VanDerWaalsContact CA-OE2 3.27Å; H133-E135 WeakPolarHBondContact CA-OE2 3.4Å; H133-E135 IonicContact CG-OE1 3.45Å; H133-E135 IonicContact ND1-OE1 3.28Å; H133-E135 PolarHBondContact ND1-OE1 2.92Å; H133-E135 PolarHBondContact O-N 2.95Å
136	V	98.4	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.			trans	-85.1	121.8	-176.7	178.4	0	0	0	0	110.7	A46 F129 L130 H133 N134 V139 R222	A46-V136 HydrophobicContact CB-CB 4.36Å; A46-V136 HydrophobicContact CB-CG1 3.55Å; A46-V136 HydrophobicContact CB-CG2 3.84Å; F129-V136 HydrophobicContact CE1-CG1 4.42Å; F129-V136 HydrophobicContact CE1-CG2 4.07Å; F129-V136 HydrophobicContact CZ-CG2 4.19Å; L130-V136 HydrophobicContact CD2-CB 3.93Å; L130-V136 HydrophobicContact CD2-CG1 3.78Å; H133-V136 HydrophobicContact CB-CG2 3.97Å; H133-V136 WeakPolarHBondContact O-CB 3.35Å; H133-V136 PolarHBondContact O-N 3.17Å; H133-V136 VanDerWaalsContact O-N 3.12Å; N134-V136 PolarHBondContact O-N 2.93Å; V136-V139 HydrophobicContact CG1-CG2 4Å; V136-R222 VanDerWaalsContact O-CZ 3.32Å; V136-R222 PolarHBondContact O-NE 3.37Å; V136-R222 PolarHBondContact O-NH2 3.18Å
137	D	98.1	Very high	97.3	Very high	70 Å²	70	35.4 Å²	35.4	37%	0.374	17%	0.172	S	C	.	.			trans	-99.4	-33.9	179.8	-61.8	-60.7	0	0	0	112.6	P43 H44 R222	P43-D137 VanDerWaalsContact CA-OD2 3.28Å; P43-D137 WeakPolarHBondContact CA-OD2 3.35Å; P43-D137 HydrophobicContact CB-CB 3.84Å; H44-D137 PolarHBondContact N-OD2 3.33Å; H44-D137 PolarHBondContact O-N 2.9Å; D137-R222 WeakPolarHBondContact O-CB 3.44Å; D137-R222 PolarHBondContact O-N 3.48Å
138	I	98.5	Very high	97.2	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.2	-175.9	-45.2	-179.8	0	0	0	108.4	P43 H44 L45 A46 I161 K221	P43-I138 HydrophobicContact CB-CD1 4.07Å; P43-I138 HydrophobicContact CB-CG1 4.34Å; P43-I138 HydrophobicContact CG-CD1 4.14Å; H44-I138 PolarHBondContact O-N 3.04Å; L45-I138 WeakPolarHBondContact CA-O 3.37Å; L45-I138 HydrophobicContact CD1-CB 3.61Å; L45-I138 HydrophobicContact CD1-CG2 3.46Å; L45-I138 VanDerWaalsContact CD1-CG2 3.46Å; A46-I138 PolarHBondContact N-O 3.41Å; I138-I161 HydrophobicContact CD1-CG2 3.7Å; I138-I161 HydrophobicContact CG2-CD1 4.5Å; I138-I161 HydrophobicContact CG2-CG2 4.44Å; I138-K221 HydrophobicContact CG1-CG 4.27Å
139	V	98.8	Very high	97	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.9	176.9	-178.8	0	0	0	0	108.7	L48 I126 L130 V136 N141 F219 A220 I225	L48-V139 HydrophobicContact CB-CG1 3.81Å; L48-V139 HydrophobicContact CD2-CG1 3.89Å; I126-V139 HydrophobicContact CG2-CB 4.42Å; I126-V139 HydrophobicContact CG2-CG1 3.98Å; I126-V139 HydrophobicContact CG2-CG2 4.2Å; L130-V139 HydrophobicContact CD1-CG2 3.99Å; L130-V139 HydrophobicContact CD2-CG2 3.62Å; L130-V139 HydrophobicContact CG-CG2 4.03Å; V136-V139 HydrophobicContact CG1-CG2 4Å; V139-N141 HydrophobicContact CG1-CB 4.34Å; V139-F219 CarbonylContact O-C 3.57Å; V139-F219 VanDerWaalsContact O-CA 3.24Å; V139-F219 WeakPolarHBondContact O-CA 3.5Å; V139-A220 PolarHBondContact N-O 3.22Å; V139-A220 PolarHBondContact O-N 2.89Å; V139-I225 HydrophobicContact CB-CD1 3.79Å; V139-I225 HydrophobicContact CG2-CD1 3.76Å
140	G	98.6	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	91.7	161	0	0	0	0	0	109.2	A46 A47 L48 I142	A46-G140 PolarHBondContact O-N 2.9Å; A47-G140 CarbonylContact C-O 3.46Å; A47-G140 WeakPolarHBondContact CA-O 3.46Å; L48-G140 PolarHBondContact N-O 3.42Å; G140-I142 PolarHBondContact O-N 3.21Å
141	N	98.7	Very high	96.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.4	175.6	175.9	-130.4	0	0	0	109.8	L48 I126 V139 F217 Y218	L48-N141 CarbonylContact O-C 3.52Å; L48-N141 VanDerWaalsContact O-CA 3.29Å; L48-N141 WeakPolarHBondContact O-CA 3.44Å; L48-N141 PolarHBondContact O-ND2 2.94Å; I126-N141 HydrophobicContact CD1-CB 3.92Å; V139-N141 HydrophobicContact CG1-CB 4.34Å; N141-F217 CarbonylContact O-C 3.6Å; N141-F217 WeakPolarHBondContact O-CA 3.34Å; N141-Y218 WeakPolarHBondContact CB-O 3.3Å; N141-Y218 PolarHBondContact N-O 2.96Å; N141-Y218 PolarHBondContact O-N 3.24Å
142	I	98.6	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	-177	-58.4	170.5	0	0	0	108.5	A47 L48 I49 V75 A79 F85 G140 L149 L154 F217	A47-I142 HydrophobicContact CB-CD1 4.08Å; L48-I142 PolarHBondContact O-N 3.45Å; I49-I142 WeakPolarHBondContact CA-O 3.5Å; I49-I142 HydrophobicContact CD1-CB 4.46Å; I49-I142 HydrophobicContact CG1-CB 4.27Å; V75-I142 HydrophobicContact CB-CG2 3.84Å; V75-I142 HydrophobicContact CG1-CG2 4.1Å; V75-I142 HydrophobicContact CG2-CG2 4.42Å; A79-I142 HydrophobicContact CB-CD1 3.99Å; F85-I142 HydrophobicContact CE2-CD1 4.49Å; F85-I142 HydrophobicContact CZ-CD1 4.09Å; G140-I142 PolarHBondContact O-N 3.21Å; I142-L149 HydrophobicContact CD1-CD2 4.43Å; I142-L149 HydrophobicContact CG2-CD2 3.47Å; I142-L149 VanDerWaalsContact CG2-CD2 3.47Å; I142-L154 HydrophobicContact CD1-CD1 4.04Å; I142-L154 HydrophobicContact CD1-CD2 3.97Å; I142-L154 HydrophobicContact CG1-CD2 4.42Å; I142-F217 HydrophobicContact CG1-CB 4.17Å
143	Q	96.4	Very high	96.8	Very high	54 Å²	54	25.4 Å²	25.4	25%	0.252	13%	0.133	S	C	.	.			trans	-92.4	130.4	-179.3	-48.5	-169.9	-101.6	0	0	111.1	T145 S146 G215 S216	Q143-T145 PolarHBondContact O-N 2.9Å; Q143-S146 PolarHBondContact O-N 3.35Å; Q143-G215 WeakPolarHBondContact CB-O 3.44Å; Q143-G215 VanDerWaalsContact CD-O 3.24Å; Q143-G215 WeakPolarHBondContact CG-O 3.14Å; Q143-G215 PolarHBondContact OE1-O 3Å; Q143-S216 PolarHBondContact N-O 2.78Å
144	A	95	Very high	96.8	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.5	-179.7	0	0	0	0	0	113.6	I49 L71 I72 V75 S146	I49-A144 HydrophobicContact CG2-CB 4.36Å; L71-A144 WeakPolarHBondContact CD1-O 2.96Å; L71-A144 HydrophobicContact CD2-CB 4.46Å; L71-A144 HydrophobicContact CG-CB 4.26Å; L71-A144 VanDerWaalsContact CG-O 3.3Å; L71-A144 WeakPolarHBondContact CG-O 3.16Å; I72-A144 HydrophobicContact CG2-CB 3.71Å; V75-A144 HydrophobicContact CG2-CB 4.22Å; A144-S146 PolarHBondContact O-N 3.06Å
145	T	92.5	Very high	96.9	Very high	16 Å²	16	22.5 Å²	22.5	10%	0.098	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.3	179.4	58.5	0	0	0	0	113.7	Q143 P147 D247 I248	Q143-T145 PolarHBondContact O-N 2.9Å; T145-P147 WeakPolarHBondContact O-CD 3.5Å; T145-D247 WeakPolarHBondContact CB-OD1 3.47Å; T145-D247 PolarHBondContact OG1-OD1 3.21Å; T145-I248 WeakPolarHBondContact CG2-O 3.31Å; T145-I248 PolarHBondContact O-N 2.77Å; T145-I248 VanDerWaalsContact O-N 3.14Å
146	S	93.7	Very high	96.9	Very high	1 Å²	1	23 Å²	23	1%	0.007	12%	0.116	C	C	.	.			trans	-109.9	71.4	169	-60.7	0	0	0	0	112.7	Q143 A144 C148 N214 S216 V246	Q143-S146 PolarHBondContact O-N 3.35Å; A144-S146 PolarHBondContact O-N 3.06Å; S146-C148 PolarHBondContact O-N 3.05Å; S146-C148 VanDerWaalsContact O-N 3.13Å; S146-N214 PolarHBondContact OG-O 3.19Å; S146-S216 VanDerWaalsContact CB-OG 3.23Å; S146-S216 WeakPolarHBondContact CB-OG 3.49Å; S146-S216 WeakPolarHBondContact OG-CA 3.49Å; S146-S216 PolarHBondContact OG-OG 2.86Å; S146-V246 WeakPolarHBondContact CA-O 3.42Å; S146-V246 PolarHBondContact OG-O 2.82Å
147	P	94.7	Very high	96.9	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.2	-171.2	32.4	-39.4	0	0	0	114.7	L66 L71 W74 T145 L149 I248 V261	L66-P147 HydrophobicContact CD2-CB 3.8Å; L66-P147 HydrophobicContact CD2-CG 3.48Å; L66-P147 VanDerWaalsContact CD2-CG 3.48Å; L71-P147 HydrophobicContact CD1-CB 4.05Å; L71-P147 HydrophobicContact CD1-CG 4.18Å; W74-P147 HydrophobicContact CB-CB 3.66Å; W74-P147 HydrophobicContact CG-CB 3.78Å; T145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-L149 VanDerWaalsContact C-N 3.26Å; P147-L149 PolarHBondContact O-N 2.98Å; P147-I248 HydrophobicContact CG-CD1 3.62Å; P147-V261 HydrophobicContact CB-CG2 4.18Å; P147-V261 HydrophobicContact CG-CG2 4.44Å
148	C	94.6	Very high	96.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	10.5	179.9	-67	0	0	0	0	113.7	S146 H150 H244	S146-C148 PolarHBondContact O-N 3.05Å; S146-C148 VanDerWaalsContact O-N 3.13Å; C148-H150 PolarHBondContact O-ND1 3.35Å; C148-H244 HydrophobicContact CB-CB 4.24Å; C148-H244 PolarHBondContact O-ND1 3.46Å
149	L	95.6	Very high	96.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.12	C	C	.	.			trans	-60.3	139.2	178.3	-174.7	62.2	0	0	0	112.2	V75 A78 I142 P147 D153 L154 F217 M240 Y266	V75-L149 HydrophobicContact CG1-CD2 4.48Å; A78-L149 HydrophobicContact CB-CB 4.49Å; A78-L149 HydrophobicContact CB-CG 4.34Å; A78-L149 WeakPolarHBondContact CB-O 3.24Å; I142-L149 HydrophobicContact CD1-CD2 4.43Å; I142-L149 HydrophobicContact CG2-CD2 3.47Å; I142-L149 VanDerWaalsContact CG2-CD2 3.47Å; P147-L149 VanDerWaalsContact C-N 3.26Å; P147-L149 PolarHBondContact O-N 2.98Å; L149-D153 HydrophobicContact CD1-CB 4.45Å; L149-L154 HydrophobicContact CD1-CD2 4.31Å; L149-L154 HydrophobicContact CD1-CG 4.34Å; L149-L154 HydrophobicContact CD2-CD1 3.95Å; L149-L154 HydrophobicContact CD2-CD2 4.1Å; L149-L154 HydrophobicContact CD2-CG 4.24Å; L149-L154 HydrophobicContact CG-CD1 4.3Å; L149-L154 HydrophobicContact CG-CG 4.35Å; L149-F217 HydrophobicContact CD1-CD1 3.79Å; L149-F217 HydrophobicContact CD1-CE1 3.99Å; L149-M240 HydrophobicContact CD1-CE 3.74Å; L149-Y266 WeakPolarHBondContact O-CB 3.26Å
150	H	95.8	Very high	96.7	Very high	43 Å²	43	25.3 Å²	25.3	20%	0.199	13%	0.126	C	C	.	.			trans	-113.2	147	177.6	-81.2	60.1	0	0	0	111.8	C148 T152 D153 H244 Y264 Y266	C148-H150 PolarHBondContact O-ND1 3.35Å; H150-T152 PolarHBondContact O-N 3.15Å; H150-D153 PolarHBondContact O-N 3.02Å; H150-D153 VanDerWaalsContact O-N 3.17Å; H150-H244 AromaticContact CE1-CE1 3.72Å; H150-H244 AromaticContact ND1-CE1 3.71Å; H150-H244 AromaticContact ND1-NE2 3.87Å; H150-Y264 PolarHBondContact CE1-O 3.39Å; H150-Y266 AromaticContact CD2-CD2 3.97Å
151	P	97.1	Very high	96.6	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.071	13%	0.128	C	C	.	.	H	α-helix	trans	-58.5	-32.1	177.2	22.4	-33.8	0	0	0	112.9	D153 L154 Q155 Y266	P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 PolarHBondContact O-N 3.35Å; P151-L154 PolarHBondContact O-N 2.64Å; P151-Q155 VanDerWaalsContact O-CG 3.3Å; P151-Q155 WeakPolarHBondContact O-CG 3.42Å; P151-Q155 PolarHBondContact O-N 3.23Å; P151-Y266 HydrophobicContact CG-CD1 4.34Å; P151-Y266 HydrophobicContact CG-CD2 4.21Å; P151-Y266 HydrophobicContact CG-CE1 3.92Å; P151-Y266 HydrophobicContact CG-CE2 3.81Å; P151-Y266 HydrophobicContact CG-CG 4.46Å
152	T	97	Very high	96.3	Very high	68 Å²	68	33.6 Å²	33.6	42%	0.417	16%	0.158	S	C	.	.	H	α-helix	trans	-63	-34.3	179.6	-49.4	0	0	0	0	113	H150 K156	H150-T152 PolarHBondContact O-N 3.15Å; T152-K156 WeakPolarHBondContact O-CG 3.38Å; T152-K156 PolarHBondContact O-N 3.29Å
153	D	97.7	Very high	96	Very high	14 Å²	14	40.5 Å²	40.5	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-68.9	-43	176.7	-65	-38.3	0	0	0	110.3	L149 H150 P151 Q155 K156 V157 F217 Y238	L149-D153 HydrophobicContact CD1-CB 4.45Å; H150-D153 PolarHBondContact O-N 3.02Å; H150-D153 VanDerWaalsContact O-N 3.17Å; P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 PolarHBondContact O-N 3.35Å; D153-Q155 PolarHBondContact O-N 2.88Å; D153-K156 PolarHBondContact O-N 3.13Å; D153-V157 WeakPolarHBondContact O-CG2 3.47Å; D153-V157 PolarHBondContact O-N 3.12Å; D153-V157 VanDerWaalsContact O-N 3.08Å; D153-F217 HydrophobicContact CB-CE1 4.46Å; D153-Y238 HydrophobicContact CB-CE1 3.72Å; D153-Y238 WeakPolarHBondContact OD1-CE1 3.38Å; D153-Y238 PolarHBondContact OD1-OH 3.11Å
154	L	98.4	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-37.7	177.5	-61.8	174.2	0	0	0	112.5	A78 A79 F85 I142 L149 P151 V157 A158 F217 F219	A78-L154 HydrophobicContact CB-CD1 4.49Å; A79-L154 HydrophobicContact CB-CD1 4.32Å; F85-L154 HydrophobicContact CE2-CB 4.23Å; F85-L154 HydrophobicContact CE2-CD1 4.03Å; F85-L154 HydrophobicContact CZ-CB 4.48Å; F85-L154 HydrophobicContact CZ-CD1 4.46Å; F85-L154 HydrophobicContact CZ-CD2 4.31Å; I142-L154 HydrophobicContact CD1-CD1 4.04Å; I142-L154 HydrophobicContact CD1-CD2 3.97Å; I142-L154 HydrophobicContact CG1-CD2 4.42Å; L149-L154 HydrophobicContact CD1-CD2 4.31Å; L149-L154 HydrophobicContact CD1-CG 4.34Å; L149-L154 HydrophobicContact CD2-CD1 3.95Å; L149-L154 HydrophobicContact CD2-CD2 4.1Å; L149-L154 HydrophobicContact CD2-CG 4.24Å; L149-L154 HydrophobicContact CG-CD1 4.3Å; L149-L154 HydrophobicContact CG-CG 4.35Å; P151-L154 PolarHBondContact O-N 2.64Å; L154-V157 PolarHBondContact O-N 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.27Å; L154-A158 PolarHBondContact O-N 2.82Å; L154-F217 HydrophobicContact CD2-CD1 4.07Å; L154-F217 HydrophobicContact CD2-CE1 4.5Å; L154-F217 HydrophobicContact CD2-CG 4.48Å; L154-F219 HydrophobicContact CD2-CE2 4.04Å; L154-F219 HydrophobicContact CD2-CZ 3.88Å
155	Q	98.3	Very high	95.9	Very high	86 Å²	86	44 Å²	44	40%	0.402	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-49.1	175.4	-74.9	169	-20.6	0	0	111.7	S82 P151 D153 V157 A158 E159	S82-Q155 WeakPolarHBondContact O-CG 3.26Å; S82-Q155 PolarHBondContact O-NE2 3.33Å; P151-Q155 VanDerWaalsContact O-CG 3.3Å; P151-Q155 WeakPolarHBondContact O-CG 3.42Å; P151-Q155 PolarHBondContact O-N 3.23Å; D153-Q155 PolarHBondContact O-N 2.88Å; Q155-V157 VanDerWaalsContact C-N 3.34Å; Q155-V157 PolarHBondContact O-N 3.29Å; Q155-A158 PolarHBondContact O-N 3.44Å; Q155-E159 PolarHBondContact O-N 2.93Å
156	K	98.2	Very high	96.1	Very high	100 Å²	100	45.4 Å²	45.4	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-39.8	179.2	-72.6	170.3	176.5	179.7	0	112.2	T152 D153 E159 M160 Y238	T152-K156 WeakPolarHBondContact O-CG 3.38Å; T152-K156 PolarHBondContact O-N 3.29Å; D153-K156 PolarHBondContact O-N 3.13Å; K156-E159 WeakPolarHBondContact O-CB 3.31Å; K156-E159 PolarHBondContact O-N 3.06Å; K156-M160 VanDerWaalsContact O-CG 3.3Å; K156-M160 WeakPolarHBondContact O-CG 3.46Å; K156-M160 PolarHBondContact O-N 3.03Å; K156-Y238 HydrophobicContact CB-CE2 3.84Å; K156-Y238 HydrophobicContact CD-CE2 3.93Å; K156-Y238 VanDerWaalsContact CD-OH 3.29Å; K156-Y238 WeakPolarHBondContact CD-OH 3.4Å
157	V	98.1	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-38.8	177.4	173.3	0	0	0	0	111.6	D153 L154 Q155 E159 M160 I161 V169 F217 F219 Y238	D153-V157 WeakPolarHBondContact O-CG2 3.47Å; D153-V157 PolarHBondContact O-N 3.12Å; D153-V157 VanDerWaalsContact O-N 3.08Å; L154-V157 PolarHBondContact O-N 3.28Å; Q155-V157 VanDerWaalsContact C-N 3.34Å; Q155-V157 PolarHBondContact O-N 3.29Å; V157-E159 VanDerWaalsContact C-N 3.29Å; V157-E159 PolarHBondContact O-N 3.05Å; V157-M160 PolarHBondContact O-N 2.62Å; V157-I161 HydrophobicContact CG1-CD1 4.15Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.41Å; V157-I161 VanDerWaalsContact O-N 3.07Å; V157-V169 HydrophobicContact CG1-CB 3.83Å; V157-V169 HydrophobicContact CG1-CG1 3.78Å; V157-V169 HydrophobicContact CG2-CG1 4.21Å; V157-F217 HydrophobicContact CB-CE2 4.46Å; V157-F217 HydrophobicContact CG1-CE2 4.27Å; V157-F217 HydrophobicContact CG2-CE2 3.66Å; V157-F217 HydrophobicContact CG2-CZ 3.6Å; V157-F219 HydrophobicContact CB-CE2 4.29Å; V157-F219 HydrophobicContact CB-CZ 4.5Å; V157-F219 HydrophobicContact CG1-CB 4.35Å; V157-F219 HydrophobicContact CG1-CD1 4.15Å; V157-F219 HydrophobicContact CG1-CD2 3.46Å; V157-F219 VanDerWaalsContact CG1-CD2 3.46Å; V157-F219 HydrophobicContact CG1-CE1 4.28Å; V157-F219 HydrophobicContact CG1-CE2 3.62Å; V157-F219 HydrophobicContact CG1-CG 3.74Å; V157-F219 HydrophobicContact CG1-CZ 4.02Å; V157-Y238 HydrophobicContact CG2-CD1 4.19Å; V157-Y238 HydrophobicContact CG2-CD2 3.75Å; V157-Y238 HydrophobicContact CG2-CE2 4.41Å; V157-Y238 HydrophobicContact CG2-CG 3.62Å
158	A	97.1	Very high	96.5	Very high	6 Å²	6	46.9 Å²	46.9	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-37.9	172.7	0	0	0	0	0	111.9	L45 A84 L154 Q155 I161 R162	L45-A158 HydrophobicContact CD2-CB 3.75Å; A84-A158 HydrophobicContact CB-CB 3.85Å; L154-A158 WeakPolarHBondContact O-CB 3.27Å; L154-A158 PolarHBondContact O-N 2.82Å; Q155-A158 PolarHBondContact O-N 3.44Å; A158-I161 PolarHBondContact O-N 3.06Å; A158-R162 WeakPolarHBondContact O-CB 3.49Å; A158-R162 VanDerWaalsContact O-CG 3.29Å; A158-R162 WeakPolarHBondContact O-CG 3.31Å; A158-R162 PolarHBondContact O-N 2.97Å
159	E	96.9	Very high	96.7	Very high	97 Å²	97	46.9 Å²	46.9	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-48.2	173.7	-168.2	178.4	-177.8	0	0	111.5	Q155 K156 V157 I161 R162 E163	Q155-E159 PolarHBondContact O-N 2.93Å; K156-E159 WeakPolarHBondContact O-CB 3.31Å; K156-E159 PolarHBondContact O-N 3.06Å; V157-E159 VanDerWaalsContact C-N 3.29Å; V157-E159 PolarHBondContact O-N 3.05Å; E159-I161 VanDerWaalsContact C-N 3.25Å; E159-I161 PolarHBondContact O-N 3.33Å; E159-R162 PolarHBondContact O-N 2.92Å; E159-R162 VanDerWaalsContact O-N 3.15Å; E159-E163 HydrophobicContact CG-CG 3.95Å; E159-E163 WeakPolarHBondContact O-CB 3.35Å; E159-E163 PolarHBondContact O-N 3.18Å
160	M	98	Very high	96.9	Very high	26 Å²	26	48.4 Å²	48.4	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-53	-43.8	174.4	-71.1	171	70.8	0	0	111.6	K156 V157 E164 G165 Y166 V169 A236 Y238	K156-M160 VanDerWaalsContact O-CG 3.3Å; K156-M160 WeakPolarHBondContact O-CG 3.46Å; K156-M160 PolarHBondContact O-N 3.03Å; V157-M160 PolarHBondContact O-N 2.62Å; M160-E164 CarbonylContact O-C 3.59Å; M160-E164 WeakPolarHBondContact O-CA 3.4Å; M160-E164 VanDerWaalsContact O-CB 3.27Å; M160-E164 WeakPolarHBondContact O-CB 3.22Å; M160-E164 PolarHBondContact O-N 2.91Å; M160-G165 PolarHBondContact O-N 3.21Å; M160-Y166 HydrophobicContact CB-CD2 3.93Å; M160-Y166 HydrophobicContact CB-CE2 4.27Å; M160-Y166 HydrophobicContact CE-CD2 4.34Å; M160-Y166 HydrophobicContact CE-CE2 4.08Å; M160-Y166 WeakPolarHBondContact O-CD2 3.38Å; M160-V169 HydrophobicContact CB-CG2 4.48Å; M160-V169 HydrophobicContact CE-CG1 3.9Å; M160-V169 HydrophobicContact CE-CG2 4.38Å; M160-V169 HydrophobicContact SD-CG1 4.26Å; M160-A236 HydrophobicContact CE-CB 3.78Å; M160-Y238 HydrophobicContact SD-CD2 3.96Å
161	I	96.4	Very high	97	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.046	22%	0.223	C	C	.	.	H	α-helix	trans	-71.2	-43.1	180	-66.8	167.4	0	0	0	111.6	I138 V157 A158 E159 G165 V169 F219	I138-I161 HydrophobicContact CD1-CG2 3.7Å; I138-I161 HydrophobicContact CG2-CD1 4.5Å; I138-I161 HydrophobicContact CG2-CG2 4.44Å; V157-I161 HydrophobicContact CG1-CD1 4.15Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.41Å; V157-I161 VanDerWaalsContact O-N 3.07Å; A158-I161 PolarHBondContact O-N 3.06Å; E159-I161 VanDerWaalsContact C-N 3.25Å; E159-I161 PolarHBondContact O-N 3.33Å; I161-G165 VanDerWaalsContact O-CA 3.29Å; I161-G165 WeakPolarHBondContact O-CA 3.43Å; I161-G165 PolarHBondContact O-N 2.85Å; I161-V169 HydrophobicContact CD1-CB 4.5Å; I161-V169 HydrophobicContact CD1-CG2 4.24Å; I161-V169 HydrophobicContact CG1-CB 4.49Å; I161-V169 HydrophobicContact CG1-CG2 3.73Å; I161-F219 HydrophobicContact CD1-CB 3.43Å; I161-F219 VanDerWaalsContact CD1-CB 3.43Å; I161-F219 HydrophobicContact CD1-CD1 3.63Å; I161-F219 HydrophobicContact CD1-CG 3.79Å
162	R	91.9	Very high	97	Very high	169 Å²	169	46 Å²	46	64%	0.638	22%	0.221	S	C	*	.	H	α-helix	trans	-77.9	-39.9	-174.7	-73.9	178.7	61.6	-175	-4.5	113.7	A158 E159	A158-R162 WeakPolarHBondContact O-CB 3.49Å; A158-R162 VanDerWaalsContact O-CG 3.29Å; A158-R162 WeakPolarHBondContact O-CG 3.31Å; A158-R162 PolarHBondContact O-N 2.97Å; E159-R162 PolarHBondContact O-N 2.92Å; E159-R162 VanDerWaalsContact O-N 3.15Å
163	E	91.9	Very high	97	Very high	144 Å²	144	43 Å²	43	67%	0.673	20%	0.202	S	C	*	.	H	α-helix	trans	-97.4	-44.5	-172.2	-56.7	-164.1	177.8	0	0	111.8	E159	E159-E163 HydrophobicContact CG-CG 3.95Å; E159-E163 WeakPolarHBondContact O-CB 3.35Å; E159-E163 PolarHBondContact O-N 3.18Å
164	E	94	Very high	96.9	Very high	98 Å²	98	45.9 Å²	45.9	46%	0.458	21%	0.212	S	C	.	.	S	Bend	trans	-88.7	-10.3	179	-54.3	178.4	-129.2	0	0	112.6	M160 Y166 K234	M160-E164 CarbonylContact O-C 3.59Å; M160-E164 WeakPolarHBondContact O-CA 3.4Å; M160-E164 VanDerWaalsContact O-CB 3.27Å; M160-E164 WeakPolarHBondContact O-CB 3.22Å; M160-E164 PolarHBondContact O-N 2.91Å; E164-Y166 HydrophobicContact CB-CD2 3.87Å; E164-Y166 HydrophobicContact CB-CE2 3.6Å; E164-Y166 HydrophobicContact CG-CE2 4.3Å; E164-Y166 WeakPolarHBondContact OE2-CE2 3.27Å; E164-Y166 PolarHBondContact OE2-OH 3.21Å; E164-K234 PolarHBondContact O-NZ 2.79Å
165	G	95.2	Very high	96.6	Very high	32 Å²	32	51 Å²	51	33%	0.33	23%	0.232	S	C	.	.			trans	71.7	29.7	172.1	0	0	0	0	0	114.5	M160 I161	M160-G165 PolarHBondContact O-N 3.21Å; I161-G165 VanDerWaalsContact O-CA 3.29Å; I161-G165 WeakPolarHBondContact O-CA 3.43Å; I161-G165 PolarHBondContact O-N 2.85Å
166	Y	98.3	Very high	96.4	Very high	46 Å²	46	49.6 Å²	49.6	18%	0.18	23%	0.225	C	C	.	.			trans	-63.3	147.5	172.9	-69.2	-74.1	0	0	0	111.9	M160 E164 V169 K221 K234 A236	M160-Y166 HydrophobicContact CB-CD2 3.93Å; M160-Y166 HydrophobicContact CB-CE2 4.27Å; M160-Y166 HydrophobicContact CE-CD2 4.34Å; M160-Y166 HydrophobicContact CE-CE2 4.08Å; M160-Y166 WeakPolarHBondContact O-CD2 3.38Å; E164-Y166 HydrophobicContact CB-CD2 3.87Å; E164-Y166 HydrophobicContact CB-CE2 3.6Å; E164-Y166 HydrophobicContact CG-CE2 4.3Å; E164-Y166 WeakPolarHBondContact OE2-CE2 3.27Å; E164-Y166 PolarHBondContact OE2-OH 3.21Å; Y166-V169 HydrophobicContact CD2-CG2 4.32Å; Y166-V169 HydrophobicContact CG-CG2 4.15Å; Y166-K221 WeakPolarHBondContact O-CE 3.42Å; Y166-K234 HydrophobicContact CD1-CD 4.11Å; Y166-K234 HydrophobicContact CD1-CG 3.79Å; Y166-K234 WeakPolarHBondContact CD1-O 3.49Å; Y166-K234 HydrophobicContact CE1-CD 4.42Å; Y166-K234 HydrophobicContact CE1-CG 4.16Å; Y166-A236 HydrophobicContact CD1-CB 3.6Å; Y166-A236 HydrophobicContact CD2-CB 4.18Å; Y166-A236 HydrophobicContact CE1-CB 3.47Å; Y166-A236 VanDerWaalsContact CE1-CB 3.47Å; Y166-A236 HydrophobicContact CE2-CB 4.03Å; Y166-A236 HydrophobicContact CG-CB 3.99Å
167	D	98.4	Very high	96.3	Very high	34 Å²	34	49 Å²	49	18%	0.182	22%	0.224	C	C	.	.	S	Bend	trans	-91	-30.8	176.3	-60.2	-43.3	0	0	0	111.9	A220 K221 L224 K234	D167-A220 WeakPolarHBondContact O-CA 3.3Å; D167-K221 HydrophobicContact CB-CD 4.33Å; D167-K221 PolarHBondContact O-N 2.97Å; D167-K221 WeakPolarHBondContact OD1-CE 3.28Å; D167-K221 IonicContact OD1-NZ 2.66Å; D167-K221 PolarHBondContact OD1-NZ 3.46Å; D167-L224 HydrophobicContact CB-CD1 3.75Å; D167-K234 PolarHBondContact N-O 3.18Å; D167-K234 WeakPolarHBondContact OD2-CB 3.37Å; D167-K234 PolarHBondContact OD2-N 2.85Å
168	S	98.6	Very high	96.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.5	170.7	68.1	0	0	0	0	112.4	F219 G232 K234 M235 A236	S168-F219 CarbonylContact C-O 3.43Å; S168-F219 WeakPolarHBondContact CA-O 3.16Å; S168-F219 WeakPolarHBondContact CB-O 3.26Å; S168-G232 PolarHBondContact OG-N 3.1Å; S168-G232 PolarHBondContact OG-O 3.39Å; S168-G232 VanDerWaalsContact OG-O 3.05Å; S168-K234 PolarHBondContact N-O 3.27Å; S168-M235 WeakPolarHBondContact O-CA 3.39Å; S168-M235 WeakPolarHBondContact OG-CG 3.23Å; S168-A236 PolarHBondContact O-N 3.07Å
169	V	98.8	Very high	96.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.7	176.9	-174.2	0	0	0	0	109.7	V157 M160 I161 Y166 F219 A236	V157-V169 HydrophobicContact CG1-CB 3.83Å; V157-V169 HydrophobicContact CG1-CG1 3.78Å; V157-V169 HydrophobicContact CG2-CG1 4.21Å; M160-V169 HydrophobicContact CB-CG2 4.48Å; M160-V169 HydrophobicContact CE-CG1 3.9Å; M160-V169 HydrophobicContact CE-CG2 4.38Å; M160-V169 HydrophobicContact SD-CG1 4.26Å; I161-V169 HydrophobicContact CD1-CB 4.5Å; I161-V169 HydrophobicContact CD1-CG2 4.24Å; I161-V169 HydrophobicContact CG1-CB 4.49Å; I161-V169 HydrophobicContact CG1-CG2 3.73Å; Y166-V169 HydrophobicContact CD2-CG2 4.32Å; Y166-V169 HydrophobicContact CG-CG2 4.15Å; V169-F219 HydrophobicContact CB-CB 4.5Å; V169-F219 PolarHBondContact N-O 3.23Å; V169-F219 WeakPolarHBondContact O-CA 3.48Å; V169-F219 WeakPolarHBondContact O-CB 3.5Å; V169-F219 PolarHBondContact O-N 3.22Å; V169-A236 VanDerWaalsContact CA-O 3.29Å; V169-A236 WeakPolarHBondContact CA-O 3.11Å; V169-A236 HydrophobicContact CG2-CB 4.36Å
170	F	98.6	Very high	96.2	Very high	32 Å²	32	56.9 Å²	56.9	14%	0.14	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.3	-177.6	60.4	-85	0	0	0	112.2	V172 E213 Y218 Q231 A236 Y237 Y238	F170-V172 HydrophobicContact CD2-CG1 3.79Å; F170-V172 HydrophobicContact CE2-CG1 3.56Å; F170-E213 HydrophobicContact CD2-CG 3.91Å; F170-E213 HydrophobicContact CE2-CG 3.96Å; F170-Y218 HydrophobicContact CB-CD1 3.63Å; F170-Y218 HydrophobicContact CB-CE1 4.05Å; F170-Y218 HydrophobicContact CB-CG 4.46Å; F170-Q231 HydrophobicContact CB-CG 4.43Å; F170-Q231 HydrophobicContact CD1-CB 4.48Å; F170-Q231 HydrophobicContact CD1-CG 3.73Å; F170-Q231 HydrophobicContact CE1-CG 4.2Å; F170-Q231 HydrophobicContact CG-CG 4.15Å; F170-A236 WeakPolarHBondContact CD1-O 3.22Å; F170-A236 WeakPolarHBondContact CE1-O 3.47Å; F170-A236 PolarHBondContact N-O 3.12Å; F170-Y237 CarbonylContact O-C 3.27Å; F170-Y237 WeakPolarHBondContact O-CA 3.48Å; F170-Y238 PolarHBondContact O-N 3Å
171	S	98.1	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.5	-175.3	57	0	0	0	0	112.9	E213 N214 S216 F217 Y238 M240	S171-E213 WeakPolarHBondContact O-CA 3.32Å; S171-N214 WeakPolarHBondContact CB-OD1 3.48Å; S171-N214 PolarHBondContact O-N 3.29Å; S171-N214 PolarHBondContact O-OD1 3.34Å; S171-N214 PolarHBondContact OG-OD1 3Å; S171-S216 WeakPolarHBondContact OG-CB 3.22Å; S171-S216 PolarHBondContact OG-N 3.35Å; S171-F217 PolarHBondContact N-O 3.3Å; S171-F217 PolarHBondContact OG-N 2.9Å; S171-F217 PolarHBondContact OG-O 2.82Å; S171-Y238 WeakPolarHBondContact CA-O 3.14Å; S171-M240 VanDerWaalsContact CB-SD 3.57Å
172	V	97.8	Very high	95.9	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.3	176.8	-60.3	0	0	0	0	111.8	F170 L211 Y212 E213 Y237 Y238 E239 M240	F170-V172 HydrophobicContact CD2-CG1 3.79Å; F170-V172 HydrophobicContact CE2-CG1 3.56Å; V172-L211 HydrophobicContact CB-CB 4.36Å; V172-L211 HydrophobicContact CG2-CB 4.34Å; V172-L211 HydrophobicContact CG2-CD1 4.41Å; V172-L211 HydrophobicContact CG2-CD2 3.86Å; V172-L211 HydrophobicContact CG2-CG 4.43Å; V172-Y212 CarbonylContact C-O 3.2Å; V172-Y212 WeakPolarHBondContact CA-O 3.21Å; V172-Y212 WeakPolarHBondContact CB-O 3.43Å; V172-E213 HydrophobicContact CG1-CG 4.47Å; V172-Y237 HydrophobicContact CG2-CD2 3.49Å; V172-Y237 VanDerWaalsContact CG2-CD2 3.49Å; V172-Y237 HydrophobicContact CG2-CE2 4.36Å; V172-Y237 HydrophobicContact CG2-CG 3.88Å; V172-Y238 PolarHBondContact N-O 3.05Å; V172-E239 HydrophobicContact CG2-CB 4.18Å; V172-E239 WeakPolarHBondContact O-CA 3.35Å; V172-M240 PolarHBondContact O-N 2.96Å
173	V	95.6	Very high	96	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.9	172.8	68.4	0	0	0	0	110.5	R175 Y212 N214 A242 S245	V173-R175 HydrophobicContact CG1-CG 4.35Å; V173-Y212 PolarHBondContact N-O 3.08Å; V173-Y212 PolarHBondContact O-N 3.43Å; V173-N214 HydrophobicContact CB-CB 4.2Å; V173-N214 HydrophobicContact CG1-CB 3.98Å; V173-A242 HydrophobicContact CG2-CB 4.21Å; V173-S245 WeakPolarHBondContact CB-OG 3.37Å; V173-S245 WeakPolarHBondContact CG2-OG 3.31Å
174	R	96	Very high	95.8	Very high	74 Å²	74	58 Å²	58	28%	0.279	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.7	177.7	-175.2	176.9	-63.9	-76.1	-3	112.2	D208 E210 L211 E239	R174-D208 WeakPolarHBondContact CD-O 3.47Å; R174-D208 WeakPolarHBondContact CG-O 3.46Å; R174-D208 PolarHBondContact NH1-O 3.37Å; R174-E210 CarbonylContact C-O 3.58Å; R174-E210 WeakPolarHBondContact CA-O 3.45Å; R174-L211 HydrophobicContact CB-CD2 3.97Å; R174-E239 WeakPolarHBondContact CB-OE1 3.34Å; R174-E239 WeakPolarHBondContact CD-OE1 3.39Å; R174-E239 IonicContact CZ-OE1 2.83Å; R174-E239 IonicContact CZ-OE2 3.66Å; R174-E239 IonicContact NE-OE1 3.2Å; R174-E239 PolarHBondContact NE-OE1 3.17Å; R174-E239 IonicContact NE-OE2 3.62Å; R174-E239 PolarHBondContact NE-OE2 2.77Å; R174-E239 IonicContact NH2-OE1 2.78Å; R174-E239 IonicContact NH2-OE2 3.31Å; R174-E239 PolarHBondContact NH2-OE2 3.15Å
175	R	93.1	Very high	95.2	Very high	108 Å²	108	62.8 Å²	62.8	41%	0.408	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.3	178.8	-60.5	-175.2	175.5	-93.6	-1.2	111.1	V173 Q177 G209 E210 Y212	V173-R175 HydrophobicContact CG1-CG 4.35Å; R175-Q177 HydrophobicContact CB-CG 3.95Å; R175-Q177 VanDerWaalsContact CD-NE2 3.29Å; R175-G209 WeakPolarHBondContact O-CA 3.33Å; R175-E210 PolarHBondContact N-O 2.93Å; R175-E210 PolarHBondContact O-N 3.26Å; R175-Y212 HydrophobicContact CB-CD2 3.89Å; R175-Y212 HydrophobicContact CB-CE2 3.84Å; R175-Y212 HydrophobicContact CG-CD2 4.03Å; R175-Y212 HydrophobicContact CG-CE2 4.46Å
176	H	94.3	Very high	94.5	Very high	56 Å²	56	64.7 Å²	64.7	26%	0.259	30%	0.304	S	S	.	.			trans	-116	64.9	-179	-60.5	72.1	0	0	0	109.1	R204 W207	H176-R204 HydrophobicContact CB-CG 3.89Å; H176-R204 PolarHBondContact CD2-O 3.04Å; H176-R204 PolarHBondContact NE2-O 3.39Å; H176-W207 HydrophobicContact CB-CZ2 4.32Å; H176-W207 AromaticContact CD2-NE1 3.75Å; H176-W207 PolarHBondContact NE2-O 3.4Å
177	Q	94.5	Very high	93.6	Very high	88 Å²	88	68 Å²	68	41%	0.411	33%	0.329	S	S	.	.			trans	-119.9	137	-175.4	50.1	-171.7	11.1	0	0	110	R175 N195 Y212	R175-Q177 HydrophobicContact CB-CG 3.95Å; R175-Q177 VanDerWaalsContact CD-NE2 3.29Å; Q177-N195 PolarHBondContact O-ND2 3.34Å; Q177-Y212 HydrophobicContact CG-CE2 4.46Å
178	F	97.1	Very high	92.4	Very high	59 Å²	59	71 Å²	71	26%	0.259	34%	0.337	S	S	.	.			trans	-83.7	127.5	-179.4	-64.3	-49.5	0	0	0	110.1	N195 L196 P202	F178-N195 WeakPolarHBondContact CA-OD1 3.43Å; F178-L196 HydrophobicContact CB-CD1 4.19Å; F178-L196 HydrophobicContact CB-CD2 4.05Å; F178-L196 HydrophobicContact CD1-CB 3.68Å; F178-L196 HydrophobicContact CD1-CD1 3.85Å; F178-L196 HydrophobicContact CD1-CD2 4.3Å; F178-L196 HydrophobicContact CD1-CG 4.15Å; F178-L196 HydrophobicContact CD2-CD1 4.17Å; F178-L196 HydrophobicContact CE1-CB 3.94Å; F178-L196 HydrophobicContact CE1-CD1 4.25Å; F178-L196 HydrophobicContact CG-CB 4.44Å; F178-L196 HydrophobicContact CG-CD1 3.8Å; F178-L196 HydrophobicContact CG-CD2 4.38Å; F178-L196 HydrophobicContact CG-CG 4.44Å; F178-P202 HydrophobicContact CE1-CG 3.86Å; F178-P202 HydrophobicContact CZ-CG 4.08Å; F178-P202 WeakPolarHBondContact CZ-O 3.44Å
179	R	96.9	Very high	91.8	Very high	100 Å²	100	77.2 Å²	77.2	38%	0.377	37%	0.366	S	S	.	.			trans	-100.8	142.1	179	-66.7	-175.1	-67.2	117.7	3.6	110.2	L194 N195 E210 Y212	R179-L194 HydrophobicContact CB-CB 3.99Å; R179-L194 HydrophobicContact CB-CD1 4.18Å; R179-L194 PolarHBondContact O-N 3.12Å; R179-N195 PolarHBondContact N-OD1 2.79Å; R179-E210 IonicContact CZ-OE1 3.23Å; R179-E210 IonicContact CZ-OE2 2.66Å; R179-E210 IonicContact NE-OE1 3.92Å; R179-E210 PolarHBondContact NE-OE1 3.48Å; R179-E210 IonicContact NE-OE2 3.46Å; R179-E210 PolarHBondContact NE-OE2 3.38Å; R179-E210 IonicContact NH2-OE1 2.61Å; R179-E210 PolarHBondContact NH2-OE1 3.11Å; R179-E210 IonicContact NH2-OE2 3.47Å; R179-Y212 WeakPolarHBondContact CD-OH 3.04Å
180	W	96.1	Very high	91.5	Very high	110 Å²	110	81.6 Å²	81.6	42%	0.417	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-134.8	146.7	-178.4	-71	90.7	0	0	0	108.3	T191 E192 P193 L196 P198	W180-T191 HydrophobicContact CB-CG2 3.51Å; W180-T191 HydrophobicContact CD2-CG2 4.13Å; W180-T191 HydrophobicContact CE3-CG2 3.62Å; W180-T191 HydrophobicContact CG-CG2 4.14Å; W180-E192 CarbonylContact C-O 3.6Å; W180-E192 WeakPolarHBondContact CA-O 3.28Å; W180-P193 HydrophobicContact CE3-CB 4.06Å; W180-P193 HydrophobicContact CH2-CB 4.14Å; W180-P193 HydrophobicContact CZ3-CB 3.85Å; W180-P193 HydrophobicContact CZ3-CG 4.3Å; W180-L196 HydrophobicContact CZ2-CD1 4.17Å; W180-L196 HydrophobicContact CZ2-CD2 4.1Å; W180-P198 HydrophobicContact CH2-CB 4.18Å; W180-P198 HydrophobicContact CH2-CG 3.63Å; W180-P198 HydrophobicContact CZ2-CG 4.39Å; W180-P198 HydrophobicContact CZ3-CG 4.26Å
181	S	94.8	Very high	91.3	Very high	14 Å²	14	83.1 Å²	83.1	10%	0.098	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.8	138	178.4	69.5	0	0	0	0	111.4	T191 E192	S181-T191 WeakPolarHBondContact O-CG2 3.39Å; S181-E192 PolarHBondContact N-O 3.44Å; S181-E192 PolarHBondContact OG-N 2.87Å
182	E	94.5	Very high	91.1	Very high	160 Å²	160	87.1 Å²	87.1	75%	0.748	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-68.5	142.6	172.4	-168.6	171.6	-161.9	0	0	111.1
183	I	93.4	Very high	91	Very high	85 Å²	85	89.3 Å²	89.3	44%	0.436	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-82.7	122.4	174.2	-68.5	178.2	0	0	0	108	R188 T191	I183-R188 VanDerWaalsContact CG2-O 3.29Å; I183-R188 WeakPolarHBondContact CG2-O 3.38Å; I183-T191 WeakPolarHBondContact CD1-OG1 3.37Å; I183-T191 WeakPolarHBondContact CG1-OG1 3.39Å
184	Q	87.9	Confident	91	Very high	111 Å²	111	93.5 Å²	93.5	52%	0.519	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-107.4	108.5	173.4	-70.7	-177.3	2.2	0	0	108.3	G186 V187 R188	Q184-G186 PolarHBondContact O-N 3.26Å; Q184-G186 VanDerWaalsContact O-N 3.17Å; Q184-V187 HydrophobicContact CB-CB 4Å; Q184-V187 HydrophobicContact CB-CG2 4.44Å; Q184-V187 PolarHBondContact O-N 2.9Å; Q184-R188 PolarHBondContact N-O 2.94Å; Q184-R188 PolarHBondContact O-N 3.41Å
185	K	82.1	Confident	91	Very high	200 Å²	200	91.4 Å²	91.4	87%	0.87	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	121.3	-178.4	-170.6	176.3	-177.7	178.6	0	110.5	V187	K185-V187 VanDerWaalsContact C-N 3.35Å
186	G	79.7	Confident	91.2	Very high	71 Å²	71	87.3 Å²	87.3	73%	0.732	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-3.1	-179.3	0	0	0	0	0	116.4	Q184 E189	Q184-G186 PolarHBondContact O-N 3.26Å; Q184-G186 VanDerWaalsContact O-N 3.17Å; G186-E189 PolarHBondContact N-OE1 3.48Å; G186-E189 VanDerWaalsContact N-OE1 3.14Å
187	V	79.8	Confident	91.3	Very high	117 Å²	117	89 Å²	89	71%	0.709	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-45.2	173.6	-179.7	0	0	0	0	110.5	Q184 K185	Q184-V187 HydrophobicContact CB-CB 4Å; Q184-V187 HydrophobicContact CB-CG2 4.44Å; Q184-V187 PolarHBondContact O-N 2.9Å; K185-V187 VanDerWaalsContact C-N 3.35Å
188	R	72.9	Confident	91.4	Very high	96 Å²	96	87.8 Å²	87.8	36%	0.362	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-149.4	116.7	-177.2	-160.2	-178.7	-149.6	168	7.8	109.8	I183 Q184 E192	I183-R188 VanDerWaalsContact CG2-O 3.29Å; I183-R188 WeakPolarHBondContact CG2-O 3.38Å; Q184-R188 PolarHBondContact N-O 2.94Å; Q184-R188 PolarHBondContact O-N 3.41Å; R188-E192 IonicContact CZ-OE1 3.28Å; R188-E192 IonicContact CZ-OE2 3.72Å; R188-E192 IonicContact NE-OE1 2.77Å; R188-E192 IonicContact NH1-OE2 3.64Å; R188-E192 IonicContact NH2-OE1 2.71Å; R188-E192 PolarHBondContact NH2-OE1 2.85Å; R188-E192 IonicContact NH2-OE2 3.69Å; R188-E192 PolarHBondContact NH2-OE2 3.35Å
189	E	86.5	Confident	91.4	Very high	131 Å²	131	89.6 Å²	89.6	61%	0.612	48%	0.477	S	S	*	.			trans	-95.1	-3	-176.3	-64.1	-66.5	141.1	0	0	113.3	G186	G186-E189 PolarHBondContact N-OE1 3.48Å; G186-E189 VanDerWaalsContact N-OE1 3.14Å
190	V	91.5	Very high	91.4	Very high	92 Å²	92	92.9 Å²	92.9	56%	0.558	49%	0.494	S	S	*	.	S	Bend	trans	-128.2	146	-177.8	-61.5	0	0	0	0	112.1
191	T	94.6	Very high	91.4	Very high	65 Å²	65	94.3 Å²	94.3	40%	0.399	50%	0.499	S	S	.	.			trans	-91.8	134.2	176.2	-55.7	0	0	0	0	110.4	W180 S181 I183	W180-T191 HydrophobicContact CB-CG2 3.51Å; W180-T191 HydrophobicContact CD2-CG2 4.13Å; W180-T191 HydrophobicContact CE3-CG2 3.62Å; W180-T191 HydrophobicContact CG-CG2 4.14Å; S181-T191 WeakPolarHBondContact O-CG2 3.39Å; I183-T191 WeakPolarHBondContact CD1-OG1 3.37Å; I183-T191 WeakPolarHBondContact CG1-OG1 3.39Å
192	E	93.9	Very high	91.5	Very high	84 Å²	84	95.4 Å²	95.4	39%	0.393	51%	0.506	S	S	.	.			trans	-114.4	144.4	175.8	-71.8	173.3	-163.2	0	0	111.7	W180 S181 R188	W180-E192 CarbonylContact C-O 3.6Å; W180-E192 WeakPolarHBondContact CA-O 3.28Å; S181-E192 PolarHBondContact N-O 3.44Å; S181-E192 PolarHBondContact OG-N 2.87Å; R188-E192 IonicContact CZ-OE1 3.28Å; R188-E192 IonicContact CZ-OE2 3.72Å; R188-E192 IonicContact NE-OE1 2.77Å; R188-E192 IonicContact NH1-OE2 3.64Å; R188-E192 IonicContact NH2-OE1 2.71Å; R188-E192 PolarHBondContact NH2-OE1 2.85Å; R188-E192 IonicContact NH2-OE2 3.69Å; R188-E192 PolarHBondContact NH2-OE2 3.35Å
193	P	96.4	Very high	91.4	Very high	50 Å²	50	95 Å²	95	33%	0.325	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-72.1	127.3	175.2	31.7	-35.4	0	0	0	110.4	W180 L196 P198	W180-P193 HydrophobicContact CE3-CB 4.06Å; W180-P193 HydrophobicContact CH2-CB 4.14Å; W180-P193 HydrophobicContact CZ3-CB 3.85Å; W180-P193 HydrophobicContact CZ3-CG 4.3Å; P193-L196 HydrophobicContact CB-CD2 3.47Å; P193-L196 VanDerWaalsContact CB-CD2 3.47Å; P193-L196 HydrophobicContact CB-CG 4.04Å; P193-L196 WeakPolarHBondContact CB-O 3.47Å; P193-P198 HydrophobicContact CB-CG 3.81Å; P193-P198 HydrophobicContact CG-CG 3.67Å
194	L	96.1	Very high	91.3	Very high	92 Å²	92	99.2 Å²	99.2	48%	0.482	51%	0.508	S	S	.	.	S	Bend	trans	-93.6	-26.9	-177	-62.8	178.6	0	0	0	113.5	R179	R179-L194 HydrophobicContact CB-CB 3.99Å; R179-L194 HydrophobicContact CB-CD1 4.18Å; R179-L194 PolarHBondContact O-N 3.12Å
195	N	95.8	Very high	91.6	Very high	31 Å²	31	100.3 Å²	100.3	17%	0.166	51%	0.513	C	S	.	.	S	Bend	trans	-142.1	18.5	-174	71	-9.1	0	0	0	114	Q177 F178 R179 E210	Q177-N195 PolarHBondContact O-ND2 3.34Å; F178-N195 WeakPolarHBondContact CA-OD1 3.43Å; R179-N195 PolarHBondContact N-OD1 2.79Å; N195-E210 WeakPolarHBondContact CB-OE1 3.34Å; N195-E210 PolarHBondContact ND2-OE1 2.95Å; N195-E210 PolarHBondContact ND2-OE2 3.11Å; N195-E210 VanDerWaalsContact ND2-OE2 3.11Å
196	L	96.3	Very high	92.3	Very high	22 Å²	22	94.6 Å²	94.6	12%	0.115	49%	0.492	C	S	.	.			trans	-143.4	160	176.4	77.3	161.1	0	0	0	112.1	F178 W180 P193 R201	F178-L196 HydrophobicContact CB-CD1 4.19Å; F178-L196 HydrophobicContact CB-CD2 4.05Å; F178-L196 HydrophobicContact CD1-CB 3.68Å; F178-L196 HydrophobicContact CD1-CD1 3.85Å; F178-L196 HydrophobicContact CD1-CD2 4.3Å; F178-L196 HydrophobicContact CD1-CG 4.15Å; F178-L196 HydrophobicContact CD2-CD1 4.17Å; F178-L196 HydrophobicContact CE1-CB 3.94Å; F178-L196 HydrophobicContact CE1-CD1 4.25Å; F178-L196 HydrophobicContact CG-CB 4.44Å; F178-L196 HydrophobicContact CG-CD1 3.8Å; F178-L196 HydrophobicContact CG-CD2 4.38Å; F178-L196 HydrophobicContact CG-CG 4.44Å; W180-L196 HydrophobicContact CZ2-CD1 4.17Å; W180-L196 HydrophobicContact CZ2-CD2 4.1Å; P193-L196 HydrophobicContact CB-CD2 3.47Å; P193-L196 VanDerWaalsContact CB-CD2 3.47Å; P193-L196 HydrophobicContact CB-CG 4.04Å; P193-L196 WeakPolarHBondContact CB-O 3.47Å; L196-R201 HydrophobicContact CD1-CG 4.33Å
197	N	96.6	Very high	93.1	Very high	92 Å²	92	93.9 Å²	93.9	49%	0.492	47%	0.467	S	S	.	.			trans	-96.1	113.5	159.7	-178.2	-16	0	0	0	108.8	A199 K200 R201	N197-A199 PolarHBondContact O-N 2.95Å; N197-A199 WeakPolarHBondContact OD1-CB 3.12Å; N197-A199 PolarHBondContact OD1-N 3.13Å; N197-K200 CarbonylContact O-C 3.56Å; N197-K200 PolarHBondContact O-N 3.16Å; N197-R201 PolarHBondContact O-N 3.42Å
198	P	96.5	Very high	93.8	Very high	62 Å²	62	94.5 Å²	94.5	40%	0.403	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.7	179.2	-26.3	36.1	0	0	0	114	W180 P193 K200	W180-P198 HydrophobicContact CH2-CB 4.18Å; W180-P198 HydrophobicContact CH2-CG 3.63Å; W180-P198 HydrophobicContact CZ2-CG 4.39Å; W180-P198 HydrophobicContact CZ3-CG 4.26Å; P193-P198 HydrophobicContact CB-CG 3.81Å; P193-P198 HydrophobicContact CG-CG 3.67Å; P198-K200 VanDerWaalsContact C-N 3.31Å
199	A	97	Very high	94.9	Very high	97 Å²	97	90.6 Å²	90.6	80%	0.802	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.4	176.7	0	0	0	0	0	113.3	N197	N197-A199 PolarHBondContact O-N 2.95Å; N197-A199 WeakPolarHBondContact OD1-CB 3.12Å; N197-A199 PolarHBondContact OD1-N 3.13Å
200	K	96.2	Very high	95.4	Very high	169 Å²	169	86.1 Å²	86.1	74%	0.735	44%	0.435	S	S	*	.	S	Bend	trans	-143.9	73.6	178.8	-167.4	-178.7	-179.8	-177.5	0	110.4	N197 P198 P202	N197-K200 CarbonylContact O-C 3.56Å; N197-K200 PolarHBondContact O-N 3.16Å; P198-K200 VanDerWaalsContact C-N 3.31Å; K200-P202 WeakPolarHBondContact O-CD 2.77Å
201	R	97	Very high	95.7	Very high	140 Å²	140	84.4 Å²	84.4	53%	0.528	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69.8	119.3	-177.4	-61	174.7	65.7	85.9	-3.5	110.2	L196 N197	L196-R201 HydrophobicContact CD1-CG 4.33Å; N197-R201 PolarHBondContact O-N 3.42Å
202	P	96	Very high	95.8	Very high	36 Å²	36	84.2 Å²	84.2	23%	0.234	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-71.3	148.4	177	29.8	-33.9	0	0	0	110.7	F178 K200 D206 W207	F178-P202 HydrophobicContact CE1-CG 3.86Å; F178-P202 HydrophobicContact CZ-CG 4.08Å; F178-P202 WeakPolarHBondContact CZ-O 3.44Å; K200-P202 WeakPolarHBondContact O-CD 2.77Å; P202-D206 HydrophobicContact CB-CB 3.96Å; P202-W207 HydrophobicContact CB-CG 4.49Å; P202-W207 HydrophobicContact CG-CG 4.4Å
203	R	94.3	Very high	95.8	Very high	151 Å²	151	84.7 Å²	84.7	57%	0.57	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-77.7	168.4	165.6	-54.9	168.2	-64.6	176.5	6.1	109.2	Q205 D206	R203-Q205 VanDerWaalsContact CB-OE1 3.31Å; R203-Q205 PolarHBondContact O-N 2.97Å; R203-D206 WeakPolarHBondContact CA-OD2 3.49Å; R203-D206 WeakPolarHBondContact CB-OD2 3.02Å; R203-D206 VanDerWaalsContact CG-OD2 3.3Å; R203-D206 WeakPolarHBondContact CG-OD2 3.4Å; R203-D206 IonicContact CZ-OD1 2.66Å; R203-D206 IonicContact CZ-OD2 3.62Å; R203-D206 PolarHBondContact N-OD2 3.16Å; R203-D206 IonicContact NE-OD1 3.82Å; R203-D206 PolarHBondContact NE-OD1 3.47Å; R203-D206 IonicContact NE-OD2 2.82Å; R203-D206 PolarHBondContact NE-OD2 3.12Å; R203-D206 IonicContact NH2-OD1 3.69Å; R203-D206 PolarHBondContact NH2-OD1 3Å; R203-D206 IonicContact NH2-OD2 3.61Å; R203-D206 WeakPolarHBondContact O-CB 3.45Å; R203-D206 PolarHBondContact O-N 3.25Å
204	R	90.6	Very high	95.7	Very high	175 Å²	175	82.9 Å²	82.9	66%	0.66	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-55.4	-37.4	-179.5	-173.1	173.4	179.6	173.3	-2.8	113	H176 D206	H176-R204 HydrophobicContact CB-CG 3.89Å; H176-R204 PolarHBondContact CD2-O 3.04Å; H176-R204 PolarHBondContact NE2-O 3.39Å; R204-D206 VanDerWaalsContact C-N 3.32Å
205	Q	94.8	Very high	95.4	Very high	134 Å²	134	78.8 Å²	78.8	63%	0.626	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-81.6	-7.2	179.2	67.2	-89.3	32.3	0	0	114.5	R203	R203-Q205 VanDerWaalsContact CB-OE1 3.31Å; R203-Q205 PolarHBondContact O-N 2.97Å
206	D	95.3	Very high	95.4	Very high	80 Å²	80	77.3 Å²	77.3	43%	0.428	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-92.4	-1	-174.8	-58.9	-29.6	0	0	0	112.5	P202 R203 R204	P202-D206 HydrophobicContact CB-CB 3.96Å; R203-D206 WeakPolarHBondContact CA-OD2 3.49Å; R203-D206 WeakPolarHBondContact CB-OD2 3.02Å; R203-D206 VanDerWaalsContact CG-OD2 3.3Å; R203-D206 WeakPolarHBondContact CG-OD2 3.4Å; R203-D206 IonicContact CZ-OD1 2.66Å; R203-D206 IonicContact CZ-OD2 3.62Å; R203-D206 PolarHBondContact N-OD2 3.16Å; R203-D206 IonicContact NE-OD1 3.82Å; R203-D206 PolarHBondContact NE-OD1 3.47Å; R203-D206 IonicContact NE-OD2 2.82Å; R203-D206 PolarHBondContact NE-OD2 3.12Å; R203-D206 IonicContact NH2-OD1 3.69Å; R203-D206 PolarHBondContact NH2-OD1 3Å; R203-D206 IonicContact NH2-OD2 3.61Å; R203-D206 WeakPolarHBondContact O-CB 3.45Å; R203-D206 PolarHBondContact O-N 3.25Å; R204-D206 VanDerWaalsContact C-N 3.32Å
207	W	96.4	Very high	95.5	Very high	55 Å²	55	76.3 Å²	76.3	21%	0.208	37%	0.372	C	S	.	.	S	Bend	trans	-157.2	159.2	176.8	75.9	-55.4	0	0	0	111.1	H176 P202 G209 E210	H176-W207 HydrophobicContact CB-CZ2 4.32Å; H176-W207 AromaticContact CD2-NE1 3.75Å; H176-W207 PolarHBondContact NE2-O 3.4Å; P202-W207 HydrophobicContact CB-CG 4.49Å; P202-W207 HydrophobicContact CG-CG 4.4Å; W207-G209 PolarHBondContact O-N 2.87Å; W207-E210 HydrophobicContact CH2-CG 4.04Å; W207-E210 HydrophobicContact CZ3-CG 3.88Å
208	D	95.8	Very high	95.6	Very high	131 Å²	131	73.2 Å²	73.2	70%	0.701	35%	0.353	S	S	*	.			trans	-74.7	-9.8	-174	-59.1	-36.8	0	0	0	113.9	R174	R174-D208 WeakPolarHBondContact CD-O 3.47Å; R174-D208 WeakPolarHBondContact CG-O 3.46Å; R174-D208 PolarHBondContact NH1-O 3.37Å
209	G	95.9	Very high	95.7	Very high	14 Å²	14	70.3 Å²	70.3	14%	0.144	33%	0.334	C	S	.	.			trans	74.6	-163.6	-170.2	0	0	0	0	0	113	R175 W207	R175-G209 WeakPolarHBondContact O-CA 3.33Å; W207-G209 PolarHBondContact O-N 2.87Å
210	E	97.5	Very high	95.8	Very high	37 Å²	37	65.9 Å²	65.9	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.1	179.6	-71.6	171.8	167.3	0	0	110.4	R174 R175 R179 N195 W207 Y212	R174-E210 CarbonylContact C-O 3.58Å; R174-E210 WeakPolarHBondContact CA-O 3.45Å; R175-E210 PolarHBondContact N-O 2.93Å; R175-E210 PolarHBondContact O-N 3.26Å; R179-E210 IonicContact CZ-OE1 3.23Å; R179-E210 IonicContact CZ-OE2 2.66Å; R179-E210 IonicContact NE-OE1 3.92Å; R179-E210 PolarHBondContact NE-OE1 3.48Å; R179-E210 IonicContact NE-OE2 3.46Å; R179-E210 PolarHBondContact NE-OE2 3.38Å; R179-E210 IonicContact NH2-OE1 2.61Å; R179-E210 PolarHBondContact NH2-OE1 3.11Å; R179-E210 IonicContact NH2-OE2 3.47Å; N195-E210 WeakPolarHBondContact CB-OE1 3.34Å; N195-E210 PolarHBondContact ND2-OE1 2.95Å; N195-E210 PolarHBondContact ND2-OE2 3.11Å; N195-E210 VanDerWaalsContact ND2-OE2 3.11Å; W207-E210 HydrophobicContact CH2-CG 4.04Å; W207-E210 HydrophobicContact CZ3-CG 3.88Å; E210-Y212 HydrophobicContact CB-CD2 4.38Å; E210-Y212 HydrophobicContact CB-CE2 3.56Å; E210-Y212 WeakPolarHBondContact O-CD2 3.46Å; E210-Y212 PolarHBondContact OE2-OH 3Å
211	L	97.3	Very high	95.9	Very high	56 Å²	56	60.2 Å²	60.2	29%	0.293	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.9	177.1	-65.9	168.5	0	0	0	110	V172 R174 Y237 E239	V172-L211 HydrophobicContact CB-CB 4.36Å; V172-L211 HydrophobicContact CG2-CB 4.34Å; V172-L211 HydrophobicContact CG2-CD1 4.41Å; V172-L211 HydrophobicContact CG2-CD2 3.86Å; V172-L211 HydrophobicContact CG2-CG 4.43Å; R174-L211 HydrophobicContact CB-CD2 3.97Å; L211-Y237 HydrophobicContact CD1-CD1 4.26Å; L211-Y237 HydrophobicContact CD1-CD2 4.06Å; L211-Y237 HydrophobicContact CD1-CE1 3.81Å; L211-Y237 HydrophobicContact CD1-CE2 3.59Å; L211-Y237 HydrophobicContact CD1-CG 4.38Å; L211-Y237 VanDerWaalsContact CD1-CZ 3.45Å; L211-E239 HydrophobicContact CD2-CG 4.1Å
212	Y	95.4	Very high	95.9	Very high	60 Å²	60	55.2 Å²	55.2	24%	0.235	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.4	177.2	-63.9	-100.1	0	0	0	108.2	V172 V173 R175 Q177 R179 E210	V172-Y212 CarbonylContact C-O 3.2Å; V172-Y212 WeakPolarHBondContact CA-O 3.21Å; V172-Y212 WeakPolarHBondContact CB-O 3.43Å; V173-Y212 PolarHBondContact N-O 3.08Å; V173-Y212 PolarHBondContact O-N 3.43Å; R175-Y212 HydrophobicContact CB-CD2 3.89Å; R175-Y212 HydrophobicContact CB-CE2 3.84Å; R175-Y212 HydrophobicContact CG-CD2 4.03Å; R175-Y212 HydrophobicContact CG-CE2 4.46Å; Q177-Y212 HydrophobicContact CG-CE2 4.46Å; R179-Y212 WeakPolarHBondContact CD-OH 3.04Å; E210-Y212 HydrophobicContact CB-CD2 4.38Å; E210-Y212 HydrophobicContact CB-CE2 3.56Å; E210-Y212 WeakPolarHBondContact O-CD2 3.46Å; E210-Y212 PolarHBondContact OE2-OH 3Å
213	E	95.6	Very high	96	Very high	95 Å²	95	57.6 Å²	57.6	44%	0.444	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	142.2	166.8	-61.9	-178.8	-150.9	0	0	109.9	F170 S171 V172 Y218 Q231	F170-E213 HydrophobicContact CD2-CG 3.91Å; F170-E213 HydrophobicContact CE2-CG 3.96Å; S171-E213 WeakPolarHBondContact O-CA 3.32Å; V172-E213 HydrophobicContact CG1-CG 4.47Å; E213-Y218 WeakPolarHBondContact OE2-CE1 3.01Å; E213-Y218 PolarHBondContact OE2-OH 3.29Å; E213-Q231 PolarHBondContact OE1-NE2 3.48Å
214	N	92.4	Very high	96.2	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.059	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	6.8	-178.9	71.9	-7.1	0	0	0	113.2	S146 S171 V173 S216 M240 S245	S146-N214 PolarHBondContact OG-O 3.19Å; S171-N214 WeakPolarHBondContact CB-OD1 3.48Å; S171-N214 PolarHBondContact O-N 3.29Å; S171-N214 PolarHBondContact O-OD1 3.34Å; S171-N214 PolarHBondContact OG-OD1 3Å; V173-N214 HydrophobicContact CB-CB 4.2Å; V173-N214 HydrophobicContact CG1-CB 3.98Å; N214-S216 PolarHBondContact ND2-OG 3.19Å; N214-S216 PolarHBondContact O-N 3.03Å; N214-S216 VanDerWaalsContact O-N 3.16Å; N214-S216 WeakPolarHBondContact OD1-CB 3.41Å; N214-S216 PolarHBondContact OD1-N 2.79Å; N214-S216 VanDerWaalsContact OD1-N 3.11Å; N214-S216 PolarHBondContact OD1-OG 3.01Å; N214-M240 PolarHBondContact ND2-SD 3.43Å; N214-M240 VanDerWaalsContact ND2-SD 3.35Å; N214-S245 PolarHBondContact ND2-OG 3.46Å
215	G	91.6	Very high	96.5	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67	9.8	178.2	0	0	0	0	0	115.2	Q143	Q143-G215 WeakPolarHBondContact CB-O 3.44Å; Q143-G215 VanDerWaalsContact CD-O 3.24Å; Q143-G215 WeakPolarHBondContact CG-O 3.14Å; Q143-G215 PolarHBondContact OE1-O 3Å
216	S	95.4	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-51.2	-177	-62.7	0	0	0	0	112.9	Q143 S146 S171 N214 M240	Q143-S216 PolarHBondContact N-O 2.78Å; S146-S216 VanDerWaalsContact CB-OG 3.23Å; S146-S216 WeakPolarHBondContact CB-OG 3.49Å; S146-S216 WeakPolarHBondContact OG-CA 3.49Å; S146-S216 PolarHBondContact OG-OG 2.86Å; S171-S216 WeakPolarHBondContact OG-CB 3.22Å; S171-S216 PolarHBondContact OG-N 3.35Å; N214-S216 PolarHBondContact ND2-OG 3.19Å; N214-S216 PolarHBondContact O-N 3.03Å; N214-S216 VanDerWaalsContact O-N 3.16Å; N214-S216 WeakPolarHBondContact OD1-CB 3.41Å; N214-S216 PolarHBondContact OD1-N 2.79Å; N214-S216 VanDerWaalsContact OD1-N 3.11Å; N214-S216 PolarHBondContact OD1-OG 3.01Å; S216-M240 VanDerWaalsContact CB-SD 3.51Å
217	F	98.1	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.6	178.2	58.5	-106.7	0	0	0	113.9	N141 I142 L149 D153 L154 V157 S171 F219 Y238 M240	N141-F217 CarbonylContact O-C 3.6Å; N141-F217 WeakPolarHBondContact O-CA 3.34Å; I142-F217 HydrophobicContact CG1-CB 4.17Å; L149-F217 HydrophobicContact CD1-CD1 3.79Å; L149-F217 HydrophobicContact CD1-CE1 3.99Å; D153-F217 HydrophobicContact CB-CE1 4.46Å; L154-F217 HydrophobicContact CD2-CD1 4.07Å; L154-F217 HydrophobicContact CD2-CE1 4.5Å; L154-F217 HydrophobicContact CD2-CG 4.48Å; V157-F217 HydrophobicContact CB-CE2 4.46Å; V157-F217 HydrophobicContact CG1-CE2 4.27Å; V157-F217 HydrophobicContact CG2-CE2 3.66Å; V157-F217 HydrophobicContact CG2-CZ 3.6Å; S171-F217 PolarHBondContact N-O 3.3Å; S171-F217 PolarHBondContact OG-N 2.9Å; S171-F217 PolarHBondContact OG-O 2.82Å; F217-F219 HydrophobicContact CB-CD2 4.39Å; F217-F219 HydrophobicContact CB-CE2 4.02Å; F217-F219 AromaticContact CD2-CD2 3.59Å; F217-F219 HydrophobicContact CD2-CD2 3.59Å; F217-F219 AromaticContact CD2-CE2 3.55Å; F217-F219 HydrophobicContact CD2-CE2 3.55Å; F217-F219 HydrophobicContact CE2-CD2 4.23Å; F217-F219 HydrophobicContact CE2-CE2 4.17Å; F217-F219 HydrophobicContact CG-CD2 4.24Å; F217-F219 AromaticContact CG-CE2 3.82Å; F217-F219 HydrophobicContact CG-CE2 3.82Å; F217-Y238 HydrophobicContact CE1-CD1 4.43Å; F217-Y238 AromaticContact CZ-CD1 3.68Å; F217-Y238 HydrophobicContact CZ-CD1 3.68Å; F217-Y238 HydrophobicContact CZ-CE1 4.47Å; F217-Y238 HydrophobicContact CZ-CG 4.13Å; F217-M240 HydrophobicContact CD1-SD 4.21Å; F217-M240 HydrophobicContact CE1-CE 4.47Å; F217-M240 HydrophobicContact CE1-CG 4.33Å; F217-M240 HydrophobicContact CE1-SD 3.61Å; F217-M240 HydrophobicContact CZ-SD 4.28Å
218	Y	98.6	Very high	96.6	Very high	27 Å²	27	42.7 Å²	42.7	11%	0.106	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	113.6	176.3	-61	-91.1	0	0	0	110.1	N141 F170 E213 L230 Q231	N141-Y218 WeakPolarHBondContact CB-O 3.3Å; N141-Y218 PolarHBondContact N-O 2.96Å; N141-Y218 PolarHBondContact O-N 3.24Å; F170-Y218 HydrophobicContact CB-CD1 3.63Å; F170-Y218 HydrophobicContact CB-CE1 4.05Å; F170-Y218 HydrophobicContact CB-CG 4.46Å; E213-Y218 WeakPolarHBondContact OE2-CE1 3.01Å; E213-Y218 PolarHBondContact OE2-OH 3.29Å; Y218-L230 HydrophobicContact CD1-CD2 3.41Å; Y218-L230 VanDerWaalsContact CD1-CD2 3.41Å; Y218-L230 HydrophobicContact CD2-CD2 4.31Å; Y218-L230 HydrophobicContact CE1-CD2 4.31Å; Y218-L230 HydrophobicContact CG-CD2 3.41Å; Y218-L230 VanDerWaalsContact CG-CD2 3.41Å; Y218-Q231 HydrophobicContact CD1-CG 4.49Å
219	F	98.7	Very high	96.6	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.4	175.6	-71.7	-110.7	0	0	0	110.2	L45 F85 V139 L154 V157 I161 S168 V169 F217	L45-F219 HydrophobicContact CD1-CD1 3.88Å; L45-F219 HydrophobicContact CD1-CE1 3.97Å; L45-F219 HydrophobicContact CD2-CE1 4.3Å; F85-F219 AromaticContact CE1-CE1 3.68Å; F85-F219 HydrophobicContact CE1-CE1 3.68Å; F85-F219 AromaticContact CE1-CZ 3.99Å; F85-F219 HydrophobicContact CE1-CZ 3.99Å; F85-F219 AromaticContact CZ-CE1 3.89Å; F85-F219 HydrophobicContact CZ-CE1 3.89Å; F85-F219 AromaticContact CZ-CZ 3.73Å; F85-F219 HydrophobicContact CZ-CZ 3.73Å; V139-F219 CarbonylContact O-C 3.57Å; V139-F219 VanDerWaalsContact O-CA 3.24Å; V139-F219 WeakPolarHBondContact O-CA 3.5Å; L154-F219 HydrophobicContact CD2-CE2 4.04Å; L154-F219 HydrophobicContact CD2-CZ 3.88Å; V157-F219 HydrophobicContact CB-CE2 4.29Å; V157-F219 HydrophobicContact CB-CZ 4.5Å; V157-F219 HydrophobicContact CG1-CB 4.35Å; V157-F219 HydrophobicContact CG1-CD1 4.15Å; V157-F219 HydrophobicContact CG1-CD2 3.46Å; V157-F219 VanDerWaalsContact CG1-CD2 3.46Å; V157-F219 HydrophobicContact CG1-CE1 4.28Å; V157-F219 HydrophobicContact CG1-CE2 3.62Å; V157-F219 HydrophobicContact CG1-CG 3.74Å; V157-F219 HydrophobicContact CG1-CZ 4.02Å; I161-F219 HydrophobicContact CD1-CB 3.43Å; I161-F219 VanDerWaalsContact CD1-CB 3.43Å; I161-F219 HydrophobicContact CD1-CD1 3.63Å; I161-F219 HydrophobicContact CD1-CG 3.79Å; S168-F219 CarbonylContact C-O 3.43Å; S168-F219 WeakPolarHBondContact CA-O 3.16Å; S168-F219 WeakPolarHBondContact CB-O 3.26Å; V169-F219 HydrophobicContact CB-CB 4.5Å; V169-F219 PolarHBondContact N-O 3.23Å; V169-F219 WeakPolarHBondContact O-CA 3.48Å; V169-F219 WeakPolarHBondContact O-CB 3.5Å; V169-F219 PolarHBondContact O-N 3.22Å; F217-F219 HydrophobicContact CB-CD2 4.39Å; F217-F219 HydrophobicContact CB-CE2 4.02Å; F217-F219 AromaticContact CD2-CD2 3.59Å; F217-F219 HydrophobicContact CD2-CD2 3.59Å; F217-F219 AromaticContact CD2-CE2 3.55Å; F217-F219 HydrophobicContact CD2-CE2 3.55Å; F217-F219 HydrophobicContact CE2-CD2 4.23Å; F217-F219 HydrophobicContact CE2-CE2 4.17Å; F217-F219 HydrophobicContact CG-CD2 4.24Å; F217-F219 AromaticContact CG-CE2 3.82Å; F217-F219 HydrophobicContact CG-CE2 3.82Å
220	A	98.6	Very high	96.5	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.1	174.6	0	0	0	0	0	111.5	V139 D167 I225	V139-A220 PolarHBondContact N-O 3.22Å; V139-A220 PolarHBondContact O-N 2.89Å; D167-A220 WeakPolarHBondContact O-CA 3.3Å; A220-I225 HydrophobicContact CB-CD1 3.97Å; A220-I225 HydrophobicContact CB-CG1 3.88Å
221	K	98.5	Very high	96.5	Very high	50 Å²	50	44.9 Å²	44.9	22%	0.217	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	148.1	169.6	-70	179.7	-176.3	164.8	0	110.9	I138 Y166 D167 H223 L224 I225	I138-K221 HydrophobicContact CG1-CG 4.27Å; Y166-K221 WeakPolarHBondContact O-CE 3.42Å; D167-K221 HydrophobicContact CB-CD 4.33Å; D167-K221 PolarHBondContact O-N 2.97Å; D167-K221 WeakPolarHBondContact OD1-CE 3.28Å; D167-K221 IonicContact OD1-NZ 2.66Å; D167-K221 PolarHBondContact OD1-NZ 3.46Å; K221-H223 VanDerWaalsContact C-N 3.29Å; K221-H223 PolarHBondContact O-N 2.79Å; K221-L224 WeakPolarHBondContact O-CB 3.28Å; K221-L224 PolarHBondContact O-N 2.61Å; K221-I225 PolarHBondContact O-N 2.75Å
222	R	98.2	Very high	96.5	Very high	35 Å²	35	42.6 Å²	42.6	13%	0.132	21%	0.207	C	C	.	.	H	α-helix	trans	-44.7	-50	178.6	169.2	178.2	-74.6	-87.3	2.6	113.2	L130 H133 V136 D137 L224 I225 E226	L130-R222 PolarHBondContact O-NH1 3.44Å; L130-R222 PolarHBondContact O-NH2 3.33Å; H133-R222 PolarHBondContact O-NH2 3.23Å; V136-R222 VanDerWaalsContact O-CZ 3.32Å; V136-R222 PolarHBondContact O-NE 3.37Å; V136-R222 PolarHBondContact O-NH2 3.18Å; D137-R222 WeakPolarHBondContact O-CB 3.44Å; D137-R222 PolarHBondContact O-N 3.48Å; R222-L224 VanDerWaalsContact C-N 3.26Å; R222-L224 PolarHBondContact O-N 2.9Å; R222-I225 PolarHBondContact O-N 3.02Å; R222-I225 VanDerWaalsContact O-N 3.07Å; R222-E226 WeakPolarHBondContact CD-OE1 3.29Å; R222-E226 HydrophobicContact CG-CG 4.07Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.94Å; R222-E226 IonicContact NE-OE1 2.75Å; R222-E226 IonicContact NH1-OE1 3.45Å; R222-E226 PolarHBondContact NH1-OE1 3.15Å; R222-E226 WeakPolarHBondContact O-CG 3.38Å; R222-E226 PolarHBondContact O-N 3.25Å
223	H	97.7	Very high	96.6	Very high	86 Å²	86	42.4 Å²	42.4	40%	0.398	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-31.9	-175.8	70.8	83.3	0	0	0	113.2	K221 M227	K221-H223 VanDerWaalsContact C-N 3.29Å; K221-H223 PolarHBondContact O-N 2.79Å; H223-M227 WeakPolarHBondContact O-CG 3.42Å; H223-M227 PolarHBondContact O-N 2.91Å
224	L	97.8	Very high	96.7	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-69	-45.4	175.2	-71.6	180	0	0	0	110.7	D167 K221 R222 E226 M227 G228 Y229 G232	D167-L224 HydrophobicContact CB-CD1 3.75Å; K221-L224 WeakPolarHBondContact O-CB 3.28Å; K221-L224 PolarHBondContact O-N 2.61Å; R222-L224 VanDerWaalsContact C-N 3.26Å; R222-L224 PolarHBondContact O-N 2.9Å; L224-E226 VanDerWaalsContact C-N 3.35Å; L224-E226 PolarHBondContact O-N 3.28Å; L224-M227 CarbonylContact O-C 3.47Å; L224-M227 WeakPolarHBondContact O-CB 3.33Å; L224-M227 PolarHBondContact O-N 2.8Å; L224-M227 VanDerWaalsContact O-N 3.13Å; L224-G228 PolarHBondContact O-N 2.87Å; L224-Y229 CarbonylContact C-O 3.11Å; L224-Y229 PolarHBondContact O-N 2.83Å; L224-G232 VanDerWaalsContact CD1-O 3.29Å; L224-G232 WeakPolarHBondContact CD1-O 3.4Å
225	I	97.4	Very high	97	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-43.7	-179.1	-64.2	162.9	0	0	0	110.4	L123 I126 I127 L130 V139 A220 K221 R222 M227 G228 Y229	L123-I225 HydrophobicContact CD1-CG2 3.87Å; I126-I225 HydrophobicContact CG2-CD1 3.97Å; I126-I225 HydrophobicContact CG2-CG2 3.9Å; I127-I225 HydrophobicContact CG1-CG2 3.69Å; L130-I225 HydrophobicContact CD1-CB 4.01Å; L130-I225 HydrophobicContact CD1-CD1 3.89Å; L130-I225 HydrophobicContact CD1-CG2 3.66Å; V139-I225 HydrophobicContact CB-CD1 3.79Å; V139-I225 HydrophobicContact CG2-CD1 3.76Å; A220-I225 HydrophobicContact CB-CD1 3.97Å; A220-I225 HydrophobicContact CB-CG1 3.88Å; K221-I225 PolarHBondContact O-N 2.75Å; R222-I225 PolarHBondContact O-N 3.02Å; R222-I225 VanDerWaalsContact O-N 3.07Å; I225-M227 PolarHBondContact O-N 2.97Å; I225-G228 WeakPolarHBondContact O-CA 3.46Å; I225-G228 PolarHBondContact O-N 3.39Å; I225-Y229 WeakPolarHBondContact CA-O 3.32Å; I225-Y229 PolarHBondContact N-O 3.34Å
226	E	95.8	Very high	97.3	Very high	109 Å²	109	47.8 Å²	47.8	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-27.1	176.4	-71.6	174.2	174.9	0	0	112.8	R222 L224 G228	R222-E226 WeakPolarHBondContact CD-OE1 3.29Å; R222-E226 HydrophobicContact CG-CG 4.07Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.94Å; R222-E226 IonicContact NE-OE1 2.75Å; R222-E226 IonicContact NH1-OE1 3.45Å; R222-E226 PolarHBondContact NH1-OE1 3.15Å; R222-E226 WeakPolarHBondContact O-CG 3.38Å; R222-E226 PolarHBondContact O-N 3.25Å; L224-E226 VanDerWaalsContact C-N 3.35Å; L224-E226 PolarHBondContact O-N 3.28Å; E226-G228 PolarHBondContact O-N 2.89Å
227	M	96.8	Very high	97.4	Very high	127 Å²	127	53.5 Å²	53.5	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.6	171.2	-70.9	173.9	68.1	0	0	113.5	H223 L224 I225 Y229	H223-M227 WeakPolarHBondContact O-CG 3.42Å; H223-M227 PolarHBondContact O-N 2.91Å; L224-M227 CarbonylContact O-C 3.47Å; L224-M227 WeakPolarHBondContact O-CB 3.33Å; L224-M227 PolarHBondContact O-N 2.8Å; L224-M227 VanDerWaalsContact O-N 3.13Å; I225-M227 PolarHBondContact O-N 2.97Å; M227-Y229 HydrophobicContact CB-CD2 3.92Å; M227-Y229 HydrophobicContact CB-CE2 4.23Å; M227-Y229 HydrophobicContact CE-CD2 4.5Å; M227-Y229 HydrophobicContact CE-CE2 4.14Å
228	G	95.9	Very high	97.5	Very high	36 Å²	36	54.8 Å²	54.8	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	17.5	-178.1	0	0	0	0	0	114.4	L123 L224 I225 E226	L123-G228 WeakPolarHBondContact CD2-O 3.47Å; L224-G228 PolarHBondContact O-N 2.87Å; I225-G228 WeakPolarHBondContact O-CA 3.46Å; I225-G228 PolarHBondContact O-N 3.39Å; E226-G228 PolarHBondContact O-N 2.89Å
229	Y	96.4	Very high	97.4	Very high	131 Å²	131	57.3 Å²	57.3	51%	0.514	29%	0.288	S	S	.	.			trans	-114.1	128	-179.7	-59.5	-54.5	0	0	0	112.4	L224 I225 M227	L224-Y229 CarbonylContact C-O 3.11Å; L224-Y229 PolarHBondContact O-N 2.83Å; I225-Y229 WeakPolarHBondContact CA-O 3.32Å; I225-Y229 PolarHBondContact N-O 3.34Å; M227-Y229 HydrophobicContact CB-CD2 3.92Å; M227-Y229 HydrophobicContact CB-CE2 4.23Å; M227-Y229 HydrophobicContact CE-CD2 4.5Å; M227-Y229 HydrophobicContact CE-CE2 4.14Å
230	L	93.6	Very high	97.3	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.183	29%	0.289	C	S	.	.	S	Bend	trans	-90.1	-27.6	172.9	-151.6	148.3	0	0	0	111.3	L123 I126 Y218	L123-L230 HydrophobicContact CB-CD1 4.38Å; L123-L230 HydrophobicContact CD1-CB 4.46Å; L123-L230 HydrophobicContact CD1-CD1 4.44Å; I126-L230 HydrophobicContact CD1-CD1 4.06Å; Y218-L230 HydrophobicContact CD1-CD2 3.41Å; Y218-L230 VanDerWaalsContact CD1-CD2 3.41Å; Y218-L230 HydrophobicContact CD2-CD2 4.31Å; Y218-L230 HydrophobicContact CE1-CD2 4.31Å; Y218-L230 HydrophobicContact CG-CD2 3.41Å; Y218-L230 VanDerWaalsContact CG-CD2 3.41Å
231	Q	97.7	Very high	97	Very high	61 Å²	61	64.3 Å²	64.3	29%	0.285	31%	0.314	S	S	.	.	S	Bend	trans	-130.2	126.8	172.1	-62.6	133.9	-57.5	0	0	108.1	F170 E213 Y218 M235	F170-Q231 HydrophobicContact CB-CG 4.43Å; F170-Q231 HydrophobicContact CD1-CB 4.48Å; F170-Q231 HydrophobicContact CD1-CG 3.73Å; F170-Q231 HydrophobicContact CE1-CG 4.2Å; F170-Q231 HydrophobicContact CG-CG 4.15Å; E213-Q231 PolarHBondContact OE1-NE2 3.48Å; Y218-Q231 HydrophobicContact CD1-CG 4.49Å; Q231-M235 HydrophobicContact CB-SD 4.14Å
232	G	96	Very high	96.5	Very high	9 Å²	9	64.8 Å²	64.8	9%	0.093	33%	0.327	C	S	.	.			trans	-179.7	-179.9	-176.9	0	0	0	0	0	113.8	S168 L224 M235	S168-G232 PolarHBondContact OG-N 3.1Å; S168-G232 PolarHBondContact OG-O 3.39Å; S168-G232 VanDerWaalsContact OG-O 3.05Å; L224-G232 VanDerWaalsContact CD1-O 3.29Å; L224-G232 WeakPolarHBondContact CD1-O 3.4Å; G232-M235 VanDerWaalsContact C-CG 3.42Å; G232-M235 PolarHBondContact N-SD 3.33Å; G232-M235 VanDerWaalsContact N-SD 3.43Å; G232-M235 WeakPolarHBondContact O-CG 3.36Å
233	G	97.4	Very high	95.9	Very high	55 Å²	55	66 Å²	66	57%	0.567	33%	0.334	S	S	*	.	S	Bend	trans	62.1	-139.1	-179	0	0	0	0	0	112.7	M235	G233-M235 PolarHBondContact O-N 3.01Å
234	K	98	Very high	95.3	Very high	103 Å²	103	62.7 Å²	62.7	45%	0.448	32%	0.319	S	S	.	.	S	Bend	trans	-72.5	91.5	169.8	-166.2	-174	177	-176.6	0	109.2	E164 Y166 D167 S168	E164-K234 PolarHBondContact O-NZ 2.79Å; Y166-K234 HydrophobicContact CD1-CD 4.11Å; Y166-K234 HydrophobicContact CD1-CG 3.79Å; Y166-K234 WeakPolarHBondContact CD1-O 3.49Å; Y166-K234 HydrophobicContact CE1-CD 4.42Å; Y166-K234 HydrophobicContact CE1-CG 4.16Å; D167-K234 PolarHBondContact N-O 3.18Å; D167-K234 WeakPolarHBondContact OD2-CB 3.37Å; D167-K234 PolarHBondContact OD2-N 2.85Å; S168-K234 PolarHBondContact N-O 3.27Å
235	M	98.3	Very high	94.4	Very high	108 Å²	108	62.7 Å²	62.7	53%	0.532	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.6	-177	-65.2	-174.5	-76.5	0	0	112.8	S168 Q231 G232 G233	S168-M235 WeakPolarHBondContact O-CA 3.39Å; S168-M235 WeakPolarHBondContact OG-CG 3.23Å; Q231-M235 HydrophobicContact CB-SD 4.14Å; G232-M235 VanDerWaalsContact C-CG 3.42Å; G232-M235 PolarHBondContact N-SD 3.33Å; G232-M235 VanDerWaalsContact N-SD 3.43Å; G232-M235 WeakPolarHBondContact O-CG 3.36Å; G233-M235 PolarHBondContact O-N 3.01Å
236	A	98.6	Very high	93.2	Very high	15 Å²	15	63.2 Å²	63.2	12%	0.124	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.2	161.8	0	0	0	0	0	111.1	M160 Y166 S168 V169 F170	M160-A236 HydrophobicContact CE-CB 3.78Å; Y166-A236 HydrophobicContact CD1-CB 3.6Å; Y166-A236 HydrophobicContact CD2-CB 4.18Å; Y166-A236 HydrophobicContact CE1-CB 3.47Å; Y166-A236 VanDerWaalsContact CE1-CB 3.47Å; Y166-A236 HydrophobicContact CE2-CB 4.03Å; Y166-A236 HydrophobicContact CG-CB 3.99Å; S168-A236 PolarHBondContact O-N 3.07Å; V169-A236 VanDerWaalsContact CA-O 3.29Å; V169-A236 WeakPolarHBondContact CA-O 3.11Å; V169-A236 HydrophobicContact CG2-CB 4.36Å; F170-A236 WeakPolarHBondContact CD1-O 3.22Å; F170-A236 WeakPolarHBondContact CE1-O 3.47Å; F170-A236 PolarHBondContact N-O 3.12Å
237	Y	98.4	Very high	92.4	Very high	121 Å²	121	61 Å²	61	48%	0.475	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	157.3	165.2	62.9	-100.9	0	0	0	109.8	F170 V172 L211	F170-Y237 CarbonylContact O-C 3.27Å; F170-Y237 WeakPolarHBondContact O-CA 3.48Å; V172-Y237 HydrophobicContact CG2-CD2 3.49Å; V172-Y237 VanDerWaalsContact CG2-CD2 3.49Å; V172-Y237 HydrophobicContact CG2-CE2 4.36Å; V172-Y237 HydrophobicContact CG2-CG 3.88Å; L211-Y237 HydrophobicContact CD1-CD1 4.26Å; L211-Y237 HydrophobicContact CD1-CD2 4.06Å; L211-Y237 HydrophobicContact CD1-CE1 3.81Å; L211-Y237 HydrophobicContact CD1-CE2 3.59Å; L211-Y237 HydrophobicContact CD1-CG 4.38Å; L211-Y237 VanDerWaalsContact CD1-CZ 3.45Å
238	Y	98.4	Very high	91.5	Very high	27 Å²	27	55 Å²	55	11%	0.106	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.5	168.3	-179.4	-92.3	0	0	0	109.4	D153 K156 V157 M160 F170 S171 V172 F217 M240	D153-Y238 HydrophobicContact CB-CE1 3.72Å; D153-Y238 WeakPolarHBondContact OD1-CE1 3.38Å; D153-Y238 PolarHBondContact OD1-OH 3.11Å; K156-Y238 HydrophobicContact CB-CE2 3.84Å; K156-Y238 HydrophobicContact CD-CE2 3.93Å; K156-Y238 VanDerWaalsContact CD-OH 3.29Å; K156-Y238 WeakPolarHBondContact CD-OH 3.4Å; V157-Y238 HydrophobicContact CG2-CD1 4.19Å; V157-Y238 HydrophobicContact CG2-CD2 3.75Å; V157-Y238 HydrophobicContact CG2-CE2 4.41Å; V157-Y238 HydrophobicContact CG2-CG 3.62Å; M160-Y238 HydrophobicContact SD-CD2 3.96Å; F170-Y238 PolarHBondContact O-N 3Å; S171-Y238 WeakPolarHBondContact CA-O 3.14Å; V172-Y238 PolarHBondContact N-O 3.05Å; F217-Y238 HydrophobicContact CE1-CD1 4.43Å; F217-Y238 AromaticContact CZ-CD1 3.68Å; F217-Y238 HydrophobicContact CZ-CD1 3.68Å; F217-Y238 HydrophobicContact CZ-CE1 4.47Å; F217-Y238 HydrophobicContact CZ-CG 4.13Å; Y238-M240 HydrophobicContact CD1-CG 3.72Å; Y238-M240 HydrophobicContact CE1-CG 3.86Å; Y238-M240 PolarHBondContact O-N 3.23Å
239	E	98.1	Very high	90.2	Very high	80 Å²	80	57.5 Å²	57.5	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108	179.2	-172.7	175.5	168.8	0	0	110.5	V172 R174 L211	V172-E239 HydrophobicContact CG2-CB 4.18Å; V172-E239 WeakPolarHBondContact O-CA 3.35Å; R174-E239 WeakPolarHBondContact CB-OE1 3.34Å; R174-E239 WeakPolarHBondContact CD-OE1 3.39Å; R174-E239 IonicContact CZ-OE1 2.83Å; R174-E239 IonicContact CZ-OE2 3.66Å; R174-E239 IonicContact NE-OE1 3.2Å; R174-E239 PolarHBondContact NE-OE1 3.17Å; R174-E239 IonicContact NE-OE2 3.62Å; R174-E239 PolarHBondContact NE-OE2 2.77Å; R174-E239 IonicContact NH2-OE1 2.78Å; R174-E239 IonicContact NH2-OE2 3.31Å; R174-E239 PolarHBondContact NH2-OE2 3.15Å; L211-E239 HydrophobicContact CD2-CG 4.1Å
240	M	95.6	Very high	88.4	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.025	29%	0.286	C	S	.	.			trans	-82.7	154	173.6	-67.7	-176.6	69.8	0	0	111.1	L149 S171 V172 N214 S216 F217 Y238 H244	L149-M240 HydrophobicContact CD1-CE 3.74Å; S171-M240 VanDerWaalsContact CB-SD 3.57Å; V172-M240 PolarHBondContact O-N 2.96Å; N214-M240 PolarHBondContact ND2-SD 3.43Å; N214-M240 VanDerWaalsContact ND2-SD 3.35Å; S216-M240 VanDerWaalsContact CB-SD 3.51Å; F217-M240 HydrophobicContact CD1-SD 4.21Å; F217-M240 HydrophobicContact CE1-CE 4.47Å; F217-M240 HydrophobicContact CE1-CG 4.33Å; F217-M240 HydrophobicContact CE1-SD 3.61Å; F217-M240 HydrophobicContact CZ-SD 4.28Å; Y238-M240 HydrophobicContact CD1-CG 3.72Å; Y238-M240 HydrophobicContact CE1-CG 3.86Å; Y238-M240 PolarHBondContact O-N 3.23Å; M240-H244 HydrophobicContact CE-CB 3.86Å
241	R	92.3	Very high	86.8	Confident	147 Å²	147	57 Å²	57	56%	0.555	30%	0.299	S	S	*	.			trans	-58.4	142.4	169.4	-73.6	-174	66.7	171.7	4	111.2	E243 H244 S245	R241-E243 WeakPolarHBondContact CB-OE2 3.39Å; R241-E243 IonicContact CZ-OE1 3.77Å; R241-E243 IonicContact CZ-OE2 3.54Å; R241-E243 IonicContact NE-OE1 3.78Å; R241-E243 IonicContact NE-OE2 3.29Å; R241-E243 PolarHBondContact NE-OE2 2.94Å; R241-E243 IonicContact NH2-OE1 2.92Å; R241-E243 PolarHBondContact NH2-OE1 3.27Å; R241-E243 IonicContact NH2-OE2 2.82Å; R241-E243 PolarHBondContact O-N 3.45Å; R241-H244 PolarHBondContact O-N 3.26Å; R241-S245 PolarHBondContact O-N 3.25Å; R241-S245 PolarHBondContact O-OG 3.34Å
242	A	87.7	Confident	85.1	Confident	60 Å²	60	60.8 Å²	60.8	50%	0.496	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32.4	179.6	0	0	0	0	0	112.2	V173 H244 S245	V173-A242 HydrophobicContact CG2-CB 4.21Å; A242-H244 PolarHBondContact O-N 2.97Å; A242-S245 PolarHBondContact O-N 2.9Å
243	E	85.1	Confident	83.9	Confident	59 Å²	59	62.8 Å²	62.8	28%	0.276	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.9	-22.4	178.1	-56.6	95	141.7	0	0	113.3	R241 Y264	R241-E243 WeakPolarHBondContact CB-OE2 3.39Å; R241-E243 IonicContact CZ-OE1 3.77Å; R241-E243 IonicContact CZ-OE2 3.54Å; R241-E243 IonicContact NE-OE1 3.78Å; R241-E243 IonicContact NE-OE2 3.29Å; R241-E243 PolarHBondContact NE-OE2 2.94Å; R241-E243 IonicContact NH2-OE1 2.92Å; R241-E243 PolarHBondContact NH2-OE1 3.27Å; R241-E243 IonicContact NH2-OE2 2.82Å; R241-E243 PolarHBondContact O-N 3.45Å; E243-Y264 HydrophobicContact CB-CD1 3.74Å; E243-Y264 HydrophobicContact CB-CD2 4.06Å; E243-Y264 HydrophobicContact CB-CE1 4.09Å; E243-Y264 HydrophobicContact CB-CE2 4.39Å; E243-Y264 HydrophobicContact CB-CG 3.71Å; E243-Y264 HydrophobicContact CG-CD1 3.99Å; E243-Y264 HydrophobicContact CG-CE1 3.83Å; E243-Y264 HydrophobicContact CG-CE2 4.43Å; E243-Y264 HydrophobicContact CG-CG 4.36Å
244	H	85.3	Confident	83.2	Confident	18 Å²	18	61 Å²	61	8%	0.083	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-96.2	-11	178.9	-55.3	-28.3	0	0	0	113.1	C148 H150 M240 R241 A242 V246 Y264	C148-H244 HydrophobicContact CB-CB 4.24Å; C148-H244 PolarHBondContact O-ND1 3.46Å; H150-H244 AromaticContact CE1-CE1 3.72Å; H150-H244 AromaticContact ND1-CE1 3.71Å; H150-H244 AromaticContact ND1-NE2 3.87Å; M240-H244 HydrophobicContact CE-CB 3.86Å; R241-H244 PolarHBondContact O-N 3.26Å; A242-H244 PolarHBondContact O-N 2.97Å; H244-V246 VanDerWaalsContact C-N 3.32Å; H244-V246 PolarHBondContact O-N 3.47Å; H244-V246 VanDerWaalsContact O-N 3.17Å; H244-Y264 PolarHBondContact CE1-O 2.91Å; H244-Y264 PolarHBondContact ND1-O 3.17Å
245	S	79.6	Confident	82.3	Confident	8 Å²	8	58.9 Å²	58.9	6%	0.056	30%	0.301	C	S	.	.			trans	-94.5	50.8	-168.7	-60.1	0	0	0	0	113	V173 N214 R241 A242	V173-S245 WeakPolarHBondContact CB-OG 3.37Å; V173-S245 WeakPolarHBondContact CG2-OG 3.31Å; N214-S245 PolarHBondContact ND2-OG 3.46Å; R241-S245 PolarHBondContact O-N 3.25Å; R241-S245 PolarHBondContact O-OG 3.34Å; A242-S245 PolarHBondContact O-N 2.9Å
246	V	71.4	Confident	81.6	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.079	30%	0.299	C	S	.	.			trans	-97	130.1	-178.7	-162.3	0	0	0	0	108	S146 H244 R260	S146-V246 WeakPolarHBondContact CA-O 3.42Å; S146-V246 PolarHBondContact OG-O 2.82Å; H244-V246 VanDerWaalsContact C-N 3.32Å; H244-V246 PolarHBondContact O-N 3.47Å; H244-V246 VanDerWaalsContact O-N 3.17Å; V246-R260 HydrophobicContact CG2-CG 3.97Å
247	D	79.1	Confident	80.9	Confident	64 Å²	64	57.7 Å²	57.7	34%	0.342	29%	0.294	S	S	.	.			trans	-106.9	138.5	166.3	-153.9	-10.9	0	0	0	109	T145	T145-D247 WeakPolarHBondContact CB-OD1 3.47Å; T145-D247 PolarHBondContact OG1-OD1 3.21Å
248	I	77.9	Confident	80.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.			trans	-113.2	96.5	179.9	-56.7	173.6	0	0	0	107.7	K61 L66 L71 T145 P147 W254 A257	K61-I248 PolarHBondContact NZ-O 3.4Å; L66-I248 HydrophobicContact CD1-CD1 4.17Å; L66-I248 HydrophobicContact CD2-CD1 3.86Å; L71-I248 HydrophobicContact CD1-CD1 3.99Å; T145-I248 WeakPolarHBondContact CG2-O 3.31Å; T145-I248 PolarHBondContact O-N 2.77Å; T145-I248 VanDerWaalsContact O-N 3.14Å; P147-I248 HydrophobicContact CG-CD1 3.62Å; I248-W254 HydrophobicContact CG2-CE3 3.95Å; I248-W254 HydrophobicContact CG2-CZ3 4.04Å; I248-A257 HydrophobicContact CD1-CB 3.5Å; I248-A257 HydrophobicContact CG1-CB 3.72Å
249	D	69.6	Low	79.5	Confident	89 Å²	89	56.9 Å²	56.9	48%	0.476	30%	0.296	S	S	.	.			trans	-107.8	-34.2	-178.3	-72.7	-42.5	0	0	0	113.5	K61	K61-D249 IonicContact NZ-OD1 3.78Å
250	V	59.1	Low	78.9	Confident	72 Å²	72	57.6 Å²	57.6	44%	0.436	30%	0.295	S	S	.	.	S	Bend	trans	-127.9	156.2	-173.9	-64.9	0	0	0	0	113.2	I252 D253	V250-I252 HydrophobicContact CG2-CB 4.22Å; V250-I252 PolarHBondContact O-N 3.31Å; V250-D253 WeakPolarHBondContact CG2-OD2 3.18Å; V250-D253 WeakPolarHBondContact O-CB 3.42Å; V250-D253 PolarHBondContact O-N 3.01Å
251	D	59.4	Low	78.5	Confident	84 Å²	84	57.4 Å²	57.4	45%	0.449	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.6	-179.3	-91.6	-39.4	0	0	0	113.7	I58 K64 D253 W254	I58-D251 WeakPolarHBondContact CD1-OD1 3.5Å; I58-D251 VanDerWaalsContact CG1-OD1 3.29Å; I58-D251 WeakPolarHBondContact CG1-OD1 3.49Å; K64-D251 IonicContact NZ-OD1 3.22Å; K64-D251 PolarHBondContact NZ-OD1 2.97Å; D251-D253 PolarHBondContact O-N 2.95Å; D251-W254 WeakPolarHBondContact O-CB 3.38Å; D251-W254 PolarHBondContact O-N 3.3Å
252	I	62.8	Low	78.1	Confident	139 Å²	139	50.6 Å²	50.6	71%	0.713	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-57.2	-31.9	174.5	-63.7	171.8	0	0	0	110.5	V250 W254	V250-I252 HydrophobicContact CG2-CB 4.22Å; V250-I252 PolarHBondContact O-N 3.31Å; I252-W254 VanDerWaalsContact C-N 3.34Å
253	D	69.9	Low	77.9	Confident	52 Å²	52	54.3 Å²	54.3	28%	0.278	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-78.8	-16.9	179.2	-61	-36.6	0	0	0	112.4	V250 D251 I256 A257	V250-D253 WeakPolarHBondContact CG2-OD2 3.18Å; V250-D253 WeakPolarHBondContact O-CB 3.42Å; V250-D253 PolarHBondContact O-N 3.01Å; D251-D253 PolarHBondContact O-N 2.95Å; D253-I256 CarbonylContact O-C 3.59Å; D253-I256 PolarHBondContact O-N 3.26Å; D253-A257 WeakPolarHBondContact O-CB 3.37Å; D253-A257 PolarHBondContact O-N 3.26Å
254	W	82.4	Confident	78	Confident	17 Å²	17	56.1 Å²	56.1	6%	0.064	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-53.1	-169.8	-158.5	-88.5	0	0	0	113.2	I58 K61 K64 H65 L66 L71 I248 D251 I252 I256 A257 E258	I58-W254 HydrophobicContact CD1-CE3 3.68Å; I58-W254 HydrophobicContact CD1-CZ3 3.98Å; K61-W254 HydrophobicContact CG-CZ3 4.15Å; K64-W254 HydrophobicContact CB-CH2 3.56Å; K64-W254 HydrophobicContact CB-CZ2 3.71Å; K64-W254 HydrophobicContact CB-CZ3 4.36Å; K64-W254 HydrophobicContact CD-CD2 3.93Å; K64-W254 HydrophobicContact CD-CE3 4Å; K64-W254 HydrophobicContact CD-CH2 3.72Å; K64-W254 HydrophobicContact CD-CZ2 3.63Å; K64-W254 HydrophobicContact CD-CZ3 3.9Å; K64-W254 HydrophobicContact CG-CH2 3.69Å; K64-W254 HydrophobicContact CG-CZ2 3.37Å; K64-W254 HydrophobicContact CG-CZ3 4.38Å; H65-W254 WeakPolarHBondContact O-CZ2 3.18Å; H65-W254 PolarHBondContact O-NE1 3.31Å; L66-W254 HydrophobicContact CB-CH2 4.33Å; L66-W254 HydrophobicContact CB-CZ2 3.76Å; L66-W254 HydrophobicContact CD1-CD2 4.11Å; L66-W254 HydrophobicContact CD1-CH2 4.42Å; L66-W254 HydrophobicContact CD1-CZ2 3.93Å; L71-W254 HydrophobicContact CB-CH2 4.44Å; L71-W254 HydrophobicContact CD2-CH2 4.47Å; I248-W254 HydrophobicContact CG2-CE3 3.95Å; I248-W254 HydrophobicContact CG2-CZ3 4.04Å; D251-W254 WeakPolarHBondContact O-CB 3.38Å; D251-W254 PolarHBondContact O-N 3.3Å; I252-W254 VanDerWaalsContact C-N 3.34Å; W254-I256 VanDerWaalsContact C-N 3.27Å; W254-I256 PolarHBondContact O-N 3.3Å; W254-A257 PolarHBondContact O-N 2.77Å; W254-E258 WeakPolarHBondContact O-CG 3.42Å; W254-E258 PolarHBondContact O-N 3.28Å
255	P	79.4	Confident	78.2	Confident	58 Å²	58	55.5 Å²	55.5	38%	0.377	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-32.6	179.5	-20.6	34.9	0	0	0	112.8	Q259	P255-Q259 WeakPolarHBondContact O-CG 3.3Å; P255-Q259 PolarHBondContact O-N 3.02Å
256	I	82.9	Confident	78.7	Confident	96 Å²	96	56.7 Å²	56.7	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-70.8	-42.5	177.4	-64.5	172.9	0	0	0	109.9	D253 W254 E258 Q259 R260	D253-I256 CarbonylContact O-C 3.59Å; D253-I256 PolarHBondContact O-N 3.26Å; W254-I256 VanDerWaalsContact C-N 3.27Å; W254-I256 PolarHBondContact O-N 3.3Å; I256-E258 VanDerWaalsContact C-N 3.33Å; I256-Q259 PolarHBondContact O-N 2.94Å; I256-R260 VanDerWaalsContact O-CB 3.27Å; I256-R260 WeakPolarHBondContact O-CB 3.44Å; I256-R260 PolarHBondContact O-N 3.07Å
257	A	84.9	Confident	79.5	Confident	3 Å²	3	58 Å²	58	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-39	177.2	0	0	0	0	0	111.2	L66 I248 D253 W254 R260 V261	L66-A257 HydrophobicContact CD1-CB 3.84Å; I248-A257 HydrophobicContact CD1-CB 3.5Å; I248-A257 HydrophobicContact CG1-CB 3.72Å; D253-A257 WeakPolarHBondContact O-CB 3.37Å; D253-A257 PolarHBondContact O-N 3.26Å; W254-A257 PolarHBondContact O-N 2.77Å; A257-R260 PolarHBondContact O-N 3.43Å; A257-V261 PolarHBondContact O-N 2.88Å
258	E	85.3	Confident	79.8	Confident	31 Å²	31	55.9 Å²	55.9	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-53.9	172.7	-75	-165.6	139.3	0	0	111	L66 A67 W254 I256 R260 V261 L262	L66-E258 HydrophobicContact CD1-CB 4.39Å; L66-E258 HydrophobicContact CD1-CG 3.57Å; L66-E258 HydrophobicContact CG-CG 4.12Å; A67-E258 HydrophobicContact CB-CB 4.45Å; A67-E258 PolarHBondContact N-OE1 3.14Å; W254-E258 WeakPolarHBondContact O-CG 3.42Å; W254-E258 PolarHBondContact O-N 3.28Å; I256-E258 VanDerWaalsContact C-N 3.33Å; E258-R260 PolarHBondContact O-N 3.48Å; E258-V261 WeakPolarHBondContact O-CG1 3.47Å; E258-V261 PolarHBondContact O-N 3.45Å; E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 WeakPolarHBondContact O-CG 3.49Å; E258-L262 PolarHBondContact O-N 3.38Å
259	Q	80.9	Confident	79.7	Confident	100 Å²	100	62.4 Å²	62.4	47%	0.467	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-33.7	177.6	-67.7	-56.8	-44.8	0	0	112	P255 I256 L262 R263	P255-Q259 WeakPolarHBondContact O-CG 3.3Å; P255-Q259 PolarHBondContact O-N 3.02Å; I256-Q259 PolarHBondContact O-N 2.94Å; Q259-L262 CarbonylContact O-C 3.51Å; Q259-L262 WeakPolarHBondContact O-CB 2.7Å; Q259-R263 WeakPolarHBondContact O-CB 3.45Å; Q259-R263 PolarHBondContact O-N 3.22Å
260	R	85.4	Confident	79.5	Confident	95 Å²	95	64.6 Å²	64.6	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-72.8	-44	179.6	-163.4	174.5	-80.5	-177.8	-3.2	112.6	V246 I256 A257 E258 L262 R263 Y264	V246-R260 HydrophobicContact CG2-CG 3.97Å; I256-R260 VanDerWaalsContact O-CB 3.27Å; I256-R260 WeakPolarHBondContact O-CB 3.44Å; I256-R260 PolarHBondContact O-N 3.07Å; A257-R260 PolarHBondContact O-N 3.43Å; E258-R260 PolarHBondContact O-N 3.48Å; R260-L262 VanDerWaalsContact C-N 3.29Å; R260-R263 PolarHBondContact O-N 3.46Å; R260-R263 VanDerWaalsContact O-N 3.09Å; R260-Y264 HydrophobicContact CG-CD2 3.8Å; R260-Y264 HydrophobicContact CG-CE2 4.41Å; R260-Y264 PolarHBondContact O-N 3.23Å
261	V	88.9	Confident	79.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-37.3	174.9	81.9	0	0	0	0	110.3	L66 A67 W74 P147 A257 E258 R263 G265 F267 K427	L66-V261 HydrophobicContact CD2-CB 4.06Å; L66-V261 HydrophobicContact CD2-CG1 3.79Å; L66-V261 HydrophobicContact CD2-CG2 4.42Å; L66-V261 HydrophobicContact CG-CG1 3.97Å; A67-V261 HydrophobicContact CB-CG1 3.69Å; W74-V261 HydrophobicContact CD2-CG2 3.52Å; W74-V261 HydrophobicContact CE3-CG2 3.36Å; W74-V261 HydrophobicContact CG-CG2 4.3Å; W74-V261 HydrophobicContact CH2-CG1 4.01Å; W74-V261 HydrophobicContact CH2-CG2 3.76Å; W74-V261 HydrophobicContact CZ2-CB 4.46Å; W74-V261 HydrophobicContact CZ2-CG1 3.69Å; W74-V261 HydrophobicContact CZ2-CG2 3.87Å; W74-V261 HydrophobicContact CZ3-CG2 3.48Å; W74-V261 VanDerWaalsContact CZ3-CG2 3.48Å; P147-V261 HydrophobicContact CB-CG2 4.18Å; P147-V261 HydrophobicContact CG-CG2 4.44Å; A257-V261 PolarHBondContact O-N 2.88Å; E258-V261 WeakPolarHBondContact O-CG1 3.47Å; E258-V261 PolarHBondContact O-N 3.45Å; V261-R263 PolarHBondContact O-N 3.08Å; V261-G265 VanDerWaalsContact O-CA 3.26Å; V261-G265 WeakPolarHBondContact O-CA 3.5Å; V261-G265 PolarHBondContact O-N 3.26Å; V261-F267 WeakPolarHBondContact O-CE2 3.29Å; V261-F267 WeakPolarHBondContact O-CZ 3.26Å; V261-K427 PolarHBondContact O-NZ 3.03Å; V261-K427 VanDerWaalsContact O-NZ 3.13Å
262	L	83.1	Confident	79.8	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-26.7	170.1	-79.8	174.6	0	0	0	113.6	A67 E258 Q259 R260 F267 L423 L424 K427	A67-L262 HydrophobicContact CB-CD1 3.92Å; A67-L262 HydrophobicContact CB-CD2 3.75Å; A67-L262 HydrophobicContact CB-CG 3.56Å; E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 WeakPolarHBondContact O-CG 3.49Å; E258-L262 PolarHBondContact O-N 3.38Å; Q259-L262 CarbonylContact O-C 3.51Å; Q259-L262 WeakPolarHBondContact O-CB 2.7Å; R260-L262 VanDerWaalsContact C-N 3.29Å; L262-F267 HydrophobicContact CD2-CE1 4.34Å; L262-F267 HydrophobicContact CD2-CZ 4.2Å; L262-L423 HydrophobicContact CB-CD1 4.42Å; L262-L423 HydrophobicContact CB-CD2 3.49Å; L262-L423 VanDerWaalsContact CB-CD2 3.49Å; L262-L423 HydrophobicContact CD1-CD2 3.95Å; L262-L423 HydrophobicContact CD2-CD2 3.58Å; L262-L423 HydrophobicContact CG-CD2 3.82Å; L262-L424 HydrophobicContact CD2-CD2 3.8Å; L262-K427 WeakPolarHBondContact O-CD 3.34Å; L262-K427 WeakPolarHBondContact O-CE 3.37Å; L262-K427 PolarHBondContact O-NZ 2.69Å
263	R	82.9	Confident	80.1	Confident	138 Å²	138	63.9 Å²	63.9	52%	0.521	30%	0.295	S	S	.	.	H	α-helix	trans	-94	-43.9	175.1	-167.5	65.3	173.7	-177.6	0.5	113.7	Q259 R260 V261 E426 K427	Q259-R263 WeakPolarHBondContact O-CB 3.45Å; Q259-R263 PolarHBondContact O-N 3.22Å; R260-R263 PolarHBondContact O-N 3.46Å; R260-R263 VanDerWaalsContact O-N 3.09Å; V261-R263 PolarHBondContact O-N 3.08Å; R263-E426 IonicContact NH1-OE2 3.82Å; R263-E426 PolarHBondContact NH1-OE2 2.94Å; R263-K427 WeakPolarHBondContact O-CE 3.38Å; R263-K427 PolarHBondContact O-NZ 3.34Å; R263-K427 VanDerWaalsContact O-NZ 3.14Å
264	Y	87.7	Confident	80.9	Confident	96 Å²	96	65.2 Å²	65.2	38%	0.376	30%	0.299	S	S	.	.	H	α-helix	trans	-124.5	-0.8	-166.6	-54.5	-68.2	0	0	0	115	H150 E243 H244 R260	H150-Y264 PolarHBondContact CE1-O 3.39Å; E243-Y264 HydrophobicContact CB-CD1 3.74Å; E243-Y264 HydrophobicContact CB-CD2 4.06Å; E243-Y264 HydrophobicContact CB-CE1 4.09Å; E243-Y264 HydrophobicContact CB-CE2 4.39Å; E243-Y264 HydrophobicContact CB-CG 3.71Å; E243-Y264 HydrophobicContact CG-CD1 3.99Å; E243-Y264 HydrophobicContact CG-CE1 3.83Å; E243-Y264 HydrophobicContact CG-CE2 4.43Å; E243-Y264 HydrophobicContact CG-CG 4.36Å; H244-Y264 PolarHBondContact CE1-O 2.91Å; H244-Y264 PolarHBondContact ND1-O 3.17Å; R260-Y264 HydrophobicContact CG-CD2 3.8Å; R260-Y264 HydrophobicContact CG-CE2 4.41Å; R260-Y264 PolarHBondContact O-N 3.23Å
265	G	89.6	Confident	81.4	Confident	6 Å²	6	65 Å²	65	6%	0.062	30%	0.299	C	S	.	.	S	Bend	trans	-79.9	166.1	177.5	0	0	0	0	0	113.9	V261 F267 K427	V261-G265 VanDerWaalsContact O-CA 3.26Å; V261-G265 WeakPolarHBondContact O-CA 3.5Å; V261-G265 PolarHBondContact O-N 3.26Å; G265-F267 WeakPolarHBondContact O-CD2 3.26Å; G265-F267 WeakPolarHBondContact O-CE2 3.34Å; G265-K427 PolarHBondContact O-NZ 2.8Å
266	Y	90.7	Very high	82.2	Confident	32 Å²	32	66.2 Å²	66.2	13%	0.125	30%	0.299	C	S	.	.			trans	-94.6	125.1	179.5	-179.8	-112.6	0	0	0	111.9	W74 R77 A78 D81 L149 H150 P151 G268 K269	W74-Y266 WeakPolarHBondContact CZ3-O 3.45Å; R77-Y266 HydrophobicContact CG-CD1 4.24Å; R77-Y266 HydrophobicContact CG-CE1 4.08Å; R77-Y266 PolarHBondContact NE-O 3.17Å; R77-Y266 PolarHBondContact NH2-O 3.37Å; A78-Y266 HydrophobicContact CB-CD1 4.14Å; D81-Y266 HydrophobicContact CB-CE1 3.8Å; D81-Y266 WeakPolarHBondContact CB-OH 3.48Å; D81-Y266 WeakPolarHBondContact OD2-CE1 3.28Å; D81-Y266 PolarHBondContact OD2-OH 3.2Å; D81-Y266 VanDerWaalsContact OD2-OH 3.06Å; L149-Y266 WeakPolarHBondContact O-CB 3.26Å; H150-Y266 AromaticContact CD2-CD2 3.97Å; P151-Y266 HydrophobicContact CG-CD1 4.34Å; P151-Y266 HydrophobicContact CG-CD2 4.21Å; P151-Y266 HydrophobicContact CG-CE1 3.92Å; P151-Y266 HydrophobicContact CG-CE2 3.81Å; P151-Y266 HydrophobicContact CG-CG 4.46Å; Y266-G268 VanDerWaalsContact CE1-CA 3.45Å; Y266-G268 VanDerWaalsContact CZ-C 3.46Å; Y266-G268 VanDerWaalsContact CZ-CA 3.48Å; Y266-K269 WeakPolarHBondContact OH-CG 3.18Å; Y266-K269 PolarHBondContact OH-N 2.88Å; Y266-K269 VanDerWaalsContact OH-N 3.12Å
267	F	87.3	Confident	82.9	Confident	42 Å²	42	61.6 Å²	61.6	18%	0.184	28%	0.275	C	S	.	.			trans	-100	1.9	-172.1	-72.6	-101.5	0	0	0	113.8	W74 R77 V261 L262 G265 L272 L424 K427	W74-F267 HydrophobicContact CH2-CD1 4.12Å; W74-F267 AromaticContact CH2-CE1 3.55Å; W74-F267 HydrophobicContact CH2-CE1 3.55Å; W74-F267 HydrophobicContact CH2-CE2 4Å; W74-F267 AromaticContact CH2-CZ 3.46Å; W74-F267 HydrophobicContact CH2-CZ 3.46Å; W74-F267 VanDerWaalsContact CH2-CZ 3.46Å; W74-F267 HydrophobicContact CZ3-CD1 4.31Å; W74-F267 HydrophobicContact CZ3-CD2 4.24Å; W74-F267 HydrophobicContact CZ3-CE1 4.05Å; W74-F267 AromaticContact CZ3-CE2 3.79Å; W74-F267 HydrophobicContact CZ3-CE2 3.79Å; W74-F267 HydrophobicContact CZ3-CG 4.42Å; W74-F267 AromaticContact CZ3-CZ 3.76Å; W74-F267 HydrophobicContact CZ3-CZ 3.76Å; R77-F267 VanDerWaalsContact NE-C 3.34Å; V261-F267 WeakPolarHBondContact O-CE2 3.29Å; V261-F267 WeakPolarHBondContact O-CZ 3.26Å; L262-F267 HydrophobicContact CD2-CE1 4.34Å; L262-F267 HydrophobicContact CD2-CZ 4.2Å; G265-F267 WeakPolarHBondContact O-CD2 3.26Å; G265-F267 WeakPolarHBondContact O-CE2 3.34Å; F267-L272 HydrophobicContact CB-CD1 4.18Å; F267-L272 HydrophobicContact CD1-CD1 3.73Å; F267-L272 HydrophobicContact CG-CD1 4.11Å; F267-L424 HydrophobicContact CE1-CD2 3.88Å; F267-K427 HydrophobicContact CD2-CD 3.99Å; F267-K427 HydrophobicContact CE2-CD 3.71Å; F267-K427 HydrophobicContact CZ-CD 3.97Å
268	G	86	Confident	83.5	Confident	18 Å²	18	61.5 Å²	61.5	19%	0.186	27%	0.274	C	S	.	.			trans	100.2	170	-176.2	0	0	0	0	0	113.3	D81 Y266 E270	D81-G268 VanDerWaalsContact OD2-CA 3.31Å; D81-G268 WeakPolarHBondContact OD2-CA 3.47Å; Y266-G268 VanDerWaalsContact CE1-CA 3.45Å; Y266-G268 VanDerWaalsContact CZ-C 3.46Å; Y266-G268 VanDerWaalsContact CZ-CA 3.48Å; G268-E270 VanDerWaalsContact C-N 3.35Å
269	K	74.9	Confident	84.1	Confident	137 Å²	137	60 Å²	60	60%	0.596	27%	0.267	S	S	*	.	S	Bend	trans	-69.5	-31.7	173.3	-73.4	174.7	-176.4	156.6	0	113.2	D81 Y266 K271	D81-K269 HydrophobicContact CB-CD 4.27Å; D81-K269 HydrophobicContact CB-CG 4.17Å; D81-K269 WeakPolarHBondContact O-CE 3.5Å; D81-K269 PolarHBondContact O-NZ 3.34Å; D81-K269 WeakPolarHBondContact OD1-CD 3.12Å; D81-K269 IonicContact OD1-NZ 3.32Å; D81-K269 PolarHBondContact OD2-N 3.11Å; Y266-K269 WeakPolarHBondContact OH-CG 3.18Å; Y266-K269 PolarHBondContact OH-N 2.88Å; Y266-K269 VanDerWaalsContact OH-N 3.12Å; K269-K271 PolarHBondContact O-N 3.09Å
270	E	65.6	Low	84.9	Confident	135 Å²	135	55.2 Å²	55.2	63%	0.631	25%	0.245	S	C	*	.	S	Bend	trans	-65.5	120.1	176.8	-65.5	-159.6	148.4	0	0	108.9	G268 L272 K366	G268-E270 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 3.37Å; E270-L272 VanDerWaalsContact O-N 3.07Å; E270-K366 IonicContact OE1-NZ 3.83Å; E270-K366 PolarHBondContact OE1-NZ 3.32Å; E270-K366 VanDerWaalsContact OE1-NZ 3.07Å; E270-K366 IonicContact OE2-NZ 3.92Å; E270-K366 PolarHBondContact OE2-NZ 3.24Å
271	K	58.9	Low	85.4	Confident	120 Å²	120	51 Å²	51	52%	0.522	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-59.2	119.4	170.3	-71.5	-171.6	173.9	-169.7	0	107.3	K269 K273 C432	K269-K271 PolarHBondContact O-N 3.09Å; K271-K273 PolarHBondContact O-N 2.62Å; K271-C432 PolarHBondContact NZ-SG 3.39Å; K271-C432 VanDerWaalsContact NZ-SG 3.42Å
272	L	65.5	Low	85.6	Confident	63 Å²	63	51.1 Å²	51.1	33%	0.33	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-47.2	120.3	160.4	-79.1	170.1	0	0	0	106.2	F267 E270 L424 V428	F267-L272 HydrophobicContact CB-CD1 4.18Å; F267-L272 HydrophobicContact CD1-CD1 3.73Å; F267-L272 HydrophobicContact CG-CD1 4.11Å; E270-L272 PolarHBondContact O-N 3.37Å; E270-L272 VanDerWaalsContact O-N 3.07Å; L272-L424 HydrophobicContact CD1-CD2 4.36Å; L272-V428 HydrophobicContact CB-CG2 3.51Å; L272-V428 VanDerWaalsContact O-CG1 3.29Å; L272-V428 WeakPolarHBondContact O-CG1 3.45Å; L272-V428 WeakPolarHBondContact O-CG2 3.22Å
273	K	69.9	Low	86	Confident	97 Å²	97	52.2 Å²	52.2	42%	0.422	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-74.8	143.5	176.8	-73.7	-158.9	178.5	-172.2	0	108.1	K271 I275 C364 K366 E367	K271-K273 PolarHBondContact O-N 2.62Å; K273-I275 PolarHBondContact O-N 3.09Å; K273-C364 PolarHBondContact NZ-SG 2.82Å; K273-K366 HydrophobicContact CB-CB 4.28Å; K273-K366 HydrophobicContact CD-CB 4.02Å; K273-K366 HydrophobicContact CG-CB 4.22Å; K273-E367 HydrophobicContact CB-CG 3.89Å; K273-E367 HydrophobicContact CD-CG 3.67Å; K273-E367 HydrophobicContact CG-CG 4.45Å
274	E	85.5	Confident	86.4	Confident	80 Å²	80	46 Å²	46	37%	0.374	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-59.5	124.1	170.9	-168.7	175.9	-161.7	0	0	108.8	K276 M425	E274-K276 PolarHBondContact O-N 3.35Å; E274-M425 HydrophobicContact CG-CE 3.56Å; E274-M425 WeakPolarHBondContact OE1-CE 3.47Å
275	I	93.2	Very high	86.8	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.067	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-68.6	131.3	174.2	-61.5	-58.3	0	0	0	107.6	K273 I319 A369 L386 I421	K273-I275 PolarHBondContact O-N 3.09Å; I275-I319 HydrophobicContact CB-CD1 4.47Å; I275-I319 HydrophobicContact CG2-CD1 4.44Å; I275-I319 HydrophobicContact CG2-CG2 4.35Å; I275-I319 WeakPolarHBondContact O-CG1 3.44Å; I275-A369 HydrophobicContact CD1-CB 4.38Å; I275-A369 HydrophobicContact CG2-CB 3.71Å; I275-L386 HydrophobicContact CD1-CB 4Å; I275-L386 HydrophobicContact CG1-CD2 4.37Å; I275-I421 HydrophobicContact CB-CG2 4.23Å; I275-I421 HydrophobicContact CG1-CG2 4.45Å; I275-I421 HydrophobicContact CG2-CG2 4.5Å
276	K	95.9	Very high	87.1	Confident	83 Å²	83	41.2 Å²	41.2	36%	0.361	19%	0.194	S	C	.	.			trans	-119.5	-17.7	-179.6	-69.6	174.9	179.8	164.8	0	113.1	E274 E320 L363 E367	E274-K276 PolarHBondContact O-N 3.35Å; K276-E320 PolarHBondContact O-N 2.98Å; K276-L363 HydrophobicContact CB-CD1 4.12Å; K276-L363 HydrophobicContact CB-CD2 3.82Å; K276-L363 HydrophobicContact CD-CD2 3.5Å; K276-L363 VanDerWaalsContact CD-CD2 3.5Å; K276-L363 HydrophobicContact CG-CD2 4.3Å; K276-E367 WeakPolarHBondContact CE-OE1 3.32Å; K276-E367 PolarHBondContact N-O 3.24Å; K276-E367 IonicContact NZ-OE1 3.81Å; K276-E367 PolarHBondContact NZ-OE1 3.34Å
277	L	97.9	Very high	87.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.4	179	172.4	62	0	0	0	109.4	V279 E320 R322 W357 M361 L363 E367 V368 A369	L277-V279 HydrophobicContact CD1-CG2 4.2Å; L277-V279 HydrophobicContact CD2-CG2 4.02Å; L277-V279 HydrophobicContact CG-CG2 3.98Å; L277-E320 CarbonylContact C-O 3.59Å; L277-E320 WeakPolarHBondContact CA-O 3.34Å; L277-E320 HydrophobicContact CD1-CB 4.18Å; L277-E320 HydrophobicContact CD1-CG 4.14Å; L277-R322 HydrophobicContact CD1-CB 4.24Å; L277-R322 HydrophobicContact CD1-CG 3.72Å; L277-W357 HydrophobicContact CD2-CB 4.39Å; L277-M361 HydrophobicContact CB-CE 4.44Å; L277-M361 HydrophobicContact CB-SD 4.29Å; L277-M361 HydrophobicContact CD1-SD 4.07Å; L277-M361 HydrophobicContact CD2-SD 4.07Å; L277-M361 HydrophobicContact CG-SD 4.37Å; L277-L363 HydrophobicContact CB-CD1 3.59Å; L277-L363 HydrophobicContact CD2-CD1 4.29Å; L277-E367 PolarHBondContact N-O 2.6Å; L277-V368 HydrophobicContact CD2-CG1 4.15Å; L277-V368 HydrophobicContact CD2-CG2 4.33Å; L277-V368 HydrophobicContact CG-CG1 4.29Å; L277-V368 CarbonylContact O-C 3.51Å; L277-V368 WeakPolarHBondContact O-CA 3.49Å; L277-A369 PolarHBondContact O-N 3.19Å
278	L	98.1	Very high	87.4	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.8	161.7	173.2	63	0	0	0	108.9	L314 I319 E320 V321 R322 A369 F417 I421	L278-L314 HydrophobicContact CD2-CD1 3.42Å; L278-L314 VanDerWaalsContact CD2-CD1 3.42Å; L278-I319 HydrophobicContact CB-CG2 4.34Å; L278-E320 PolarHBondContact N-O 3.45Å; L278-V321 HydrophobicContact CB-CG2 4.4Å; L278-V321 HydrophobicContact CD2-CG1 4.41Å; L278-V321 CarbonylContact O-C 3.57Å; L278-V321 WeakPolarHBondContact O-CA 3.4Å; L278-R322 PolarHBondContact O-N 3.14Å; L278-A369 WeakPolarHBondContact CA-O 3.37Å; L278-A369 HydrophobicContact CD1-CB 3.89Å; L278-F417 HydrophobicContact CD1-CD1 3.94Å; L278-F417 HydrophobicContact CD1-CE1 3.65Å; L278-I421 HydrophobicContact CD1-CD1 4.43Å; L278-I421 HydrophobicContact CD2-CD1 4.46Å
279	V	98.1	Very high	87.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.7	165	-177.6	0	0	0	0	109.1	L277 R322 I324 V354 W357 A369 Y370 L371	L277-V279 HydrophobicContact CD1-CG2 4.2Å; L277-V279 HydrophobicContact CD2-CG2 4.02Å; L277-V279 HydrophobicContact CG-CG2 3.98Å; V279-R322 CarbonylContact C-O 3.54Å; V279-R322 WeakPolarHBondContact CA-O 3.29Å; V279-I324 HydrophobicContact CG1-CB 4.24Å; V279-I324 HydrophobicContact CG1-CG2 3.88Å; V279-V354 HydrophobicContact CG1-CG2 4.08Å; V279-V354 HydrophobicContact CG2-CG1 4.34Å; V279-V354 HydrophobicContact CG2-CG2 4.38Å; V279-W357 HydrophobicContact CG1-CE3 4.4Å; V279-W357 HydrophobicContact CG1-CZ3 3.82Å; V279-W357 HydrophobicContact CG2-CE3 3.91Å; V279-W357 HydrophobicContact CG2-CZ3 4.13Å; V279-A369 PolarHBondContact N-O 3.13Å; V279-Y370 HydrophobicContact CB-CD2 3.64Å; V279-Y370 HydrophobicContact CB-CE2 3.98Å; V279-Y370 HydrophobicContact CB-CG 4.49Å; V279-Y370 HydrophobicContact CG1-CD2 3.76Å; V279-Y370 HydrophobicContact CG1-CE2 3.52Å; V279-Y370 CarbonylContact O-C 3.58Å; V279-Y370 VanDerWaalsContact O-CA 3.25Å; V279-Y370 WeakPolarHBondContact O-CA 3.43Å; V279-L371 PolarHBondContact O-N 3.16Å
280	C	96.9	Very high	88.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.2	-179.2	-175.7	0	0	0	0	110.8	R322 L323 I324 L371 I414	C280-R322 PolarHBondContact N-O 3.14Å; C280-L323 HydrophobicContact CB-CD2 3.85Å; C280-L323 WeakPolarHBondContact O-CA 3.41Å; C280-I324 PolarHBondContact O-N 3.19Å; C280-L371 HydrophobicContact CB-CB 4.39Å; C280-I414 VanDerWaalsContact SG-CD1 3.54Å
281	N	95.6	Very high	89.3	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.032	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	143.2	170.1	-164.1	43	0	0	0	109.8	D283 C285 L286 I324 K350 L371 N373	N281-D283 PolarHBondContact ND2-O 2.8Å; N281-C285 HydrophobicContact CB-CB 4.38Å; N281-C285 VanDerWaalsContact O-CB 3.25Å; N281-C285 WeakPolarHBondContact O-CB 3.29Å; N281-L286 PolarHBondContact O-N 2.75Å; N281-I324 CarbonylContact C-O 3.56Å; N281-I324 VanDerWaalsContact CA-O 3.32Å; N281-I324 WeakPolarHBondContact CA-O 3.42Å; N281-I324 PolarHBondContact OD1-O 2.88Å; N281-I324 VanDerWaalsContact OD1-O 3.08Å; N281-K350 PolarHBondContact OD1-NZ 3.29Å; N281-L371 PolarHBondContact N-O 3.44Å; N281-N373 PolarHBondContact ND2-OD1 3.26Å
282	I	94.1	Very high	90.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-59.3	178.5	-63.1	171	0	0	0	109.2	G284 L286 T287 L323 I324 L334 V345	I282-G284 PolarHBondContact O-N 2.95Å; I282-L286 HydrophobicContact CG2-CD2 4.46Å; I282-L286 PolarHBondContact O-N 2.64Å; I282-L286 VanDerWaalsContact O-N 3.08Å; I282-T287 HydrophobicContact CG2-CG2 4.08Å; I282-T287 PolarHBondContact O-N 2.84Å; I282-T287 PolarHBondContact O-OG1 2.9Å; I282-L323 HydrophobicContact CD1-CB 4.05Å; I282-L323 HydrophobicContact CG1-CB 3.81Å; I282-I324 PolarHBondContact N-O 3.45Å; I282-L334 HydrophobicContact CD1-CD1 3.98Å; I282-L334 HydrophobicContact CD1-CD2 4.11Å; I282-L334 HydrophobicContact CG2-CD2 4.38Å; I282-V345 HydrophobicContact CD1-CG1 4.14Å
283	D	92	Very high	91.8	Very high	28 Å²	28	37.4 Å²	37.4	15%	0.15	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-80	112.4	-171.5	-54.1	-85.9	0	0	0	111.1	N281 S325 R327 N373	N281-D283 PolarHBondContact ND2-O 2.8Å; D283-S325 WeakPolarHBondContact OD2-CB 3.4Å; D283-S325 PolarHBondContact OD2-OG 2.98Å; D283-R327 IonicContact OD1-CZ 3.69Å; D283-R327 IonicContact OD1-NE 2.76Å; D283-R327 PolarHBondContact OD1-NE 3.01Å; D283-R327 IonicContact OD1-NH2 2.89Å; D283-R327 PolarHBondContact OD1-NH2 2.83Å; D283-R327 IonicContact OD2-NE 3.52Å; D283-N373 PolarHBondContact O-ND2 3.28Å; D283-N373 PolarHBondContact O-OD1 2.86Å
284	G	91.8	Very high	92.7	Very high	9 Å²	9	34.5 Å²	34.5	9%	0.093	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	1.4	-178.8	0	0	0	0	0	114.7	I282 T287 P390 G409	I282-G284 PolarHBondContact O-N 2.95Å; G284-T287 CarbonylContact C-O 3.48Å; G284-T287 VanDerWaalsContact C-O 3.27Å; G284-T287 WeakPolarHBondContact CA-O 3.22Å; G284-T287 PolarHBondContact N-O 3.27Å; G284-P390 WeakPolarHBondContact O-CG 3.44Å; G284-G409 VanDerWaalsContact O-CA 3.26Å; G284-G409 WeakPolarHBondContact O-CA 3.27Å
285	C	95.9	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-63.5	165.4	-64.2	0	0	0	0	111.5	N281 T287 L371 G372 N373 P390 G410	N281-C285 HydrophobicContact CB-CB 4.38Å; N281-C285 VanDerWaalsContact O-CB 3.25Å; N281-C285 WeakPolarHBondContact O-CB 3.29Å; C285-T287 PolarHBondContact N-O 3.12Å; C285-L371 HydrophobicContact CB-CD2 4.1Å; C285-L371 HydrophobicContact CB-CG 4.2Å; C285-G372 VanDerWaalsContact SG-C 3.58Å; C285-N373 PolarHBondContact SG-OD1 3.14Å; C285-P390 HydrophobicContact CB-CG 4.16Å; C285-P390 VanDerWaalsContact SG-CG 3.52Å; C285-G410 PolarHBondContact O-N 3.15Å
286	L	95	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41	173.2	176.4	62.7	0	0	0	112.1	N281 I282 Y303 D307 I311 L323 L337 L339 G410 I414	N281-L286 PolarHBondContact O-N 2.75Å; I282-L286 HydrophobicContact CG2-CD2 4.46Å; I282-L286 PolarHBondContact O-N 2.64Å; I282-L286 VanDerWaalsContact O-N 3.08Å; L286-Y303 HydrophobicContact CD1-CG 4.46Å; L286-Y303 WeakPolarHBondContact O-CB 3.48Å; L286-D307 HydrophobicContact CD1-CB 4.46Å; L286-I311 HydrophobicContact CD1-CD1 4.14Å; L286-L323 HydrophobicContact CD2-CD1 3.63Å; L286-L323 HydrophobicContact CD2-CD2 4.38Å; L286-L337 HydrophobicContact CD2-CD1 4.33Å; L286-L339 HydrophobicContact CD1-CD1 4.07Å; L286-L339 HydrophobicContact CD2-CD1 3.75Å; L286-G410 VanDerWaalsContact O-CA 3.28Å; L286-G410 WeakPolarHBondContact O-CA 3.49Å; L286-I414 HydrophobicContact CB-CD1 3.77Å; L286-I414 HydrophobicContact CD1-CD1 3.62Å; L286-I414 HydrophobicContact CG-CD1 4.3Å
287	T	93.4	Very high	92.1	Very high	3 Å²	3	43 Å²	43	2%	0.018	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-105.7	164.4	172.7	75.9	0	0	0	0	109.4	I282 G284 C285 G289 S302 G409 G410	I282-T287 HydrophobicContact CG2-CG2 4.08Å; I282-T287 PolarHBondContact O-N 2.84Å; I282-T287 PolarHBondContact O-OG1 2.9Å; G284-T287 CarbonylContact C-O 3.48Å; G284-T287 VanDerWaalsContact C-O 3.27Å; G284-T287 WeakPolarHBondContact CA-O 3.22Å; G284-T287 PolarHBondContact N-O 3.27Å; C285-T287 PolarHBondContact N-O 3.12Å; T287-G289 PolarHBondContact O-N 2.77Å; T287-G289 PolarHBondContact OG1-N 3.09Å; T287-S302 WeakPolarHBondContact CB-O 3.22Å; T287-S302 WeakPolarHBondContact CG2-O 3.36Å; T287-G409 CarbonylContact O-C 3.42Å; T287-G410 PolarHBondContact O-N 3.5Å
288	N	91.6	Very high	91.4	Very high	26 Å²	26	49.4 Å²	49.4	14%	0.139	28%	0.279	C	S	.	.			trans	-82.1	10	175.4	68.3	-15.5	0	0	0	113.4	H290 G409	N288-H290 PolarHBondContact ND2-ND1 3.28Å; N288-H290 PolarHBondContact O-N 3.23Å; N288-H290 WeakPolarHBondContact OD1-CB 3.39Å; N288-H290 PolarHBondContact OD1-N 2.94Å; N288-H290 VanDerWaalsContact OD1-N 3.09Å; N288-G409 VanDerWaalsContact CA-O 3.29Å; N288-G409 WeakPolarHBondContact CA-O 3.33Å; N288-G409 WeakPolarHBondContact CB-O 3.36Å
289	G	88.7	Confident	90.8	Very high	39 Å²	39	53 Å²	53	40%	0.402	30%	0.296	S	S	.	.	S	Bend	trans	75.5	-2.4	-177.2	0	0	0	0	0	115.2	T287	T287-G289 PolarHBondContact O-N 2.77Å; T287-G289 PolarHBondContact OG1-N 3.09Å
290	H	89.7	Confident	90.3	Very high	106 Å²	106	57.9 Å²	57.9	49%	0.491	32%	0.321	S	S	.	.			trans	-79.3	129.7	174.8	-65.1	176.8	0	0	0	110.9	N288 Y292	N288-H290 PolarHBondContact ND2-ND1 3.28Å; N288-H290 PolarHBondContact O-N 3.23Å; N288-H290 WeakPolarHBondContact OD1-CB 3.39Å; N288-H290 PolarHBondContact OD1-N 2.94Å; N288-H290 VanDerWaalsContact OD1-N 3.09Å; H290-Y292 HydrophobicContact CB-CE2 3.95Å
291	I	87.5	Confident	89.8	Confident	67 Å²	67	58.9 Å²	58.9	34%	0.344	33%	0.326	S	S	.	.			trans	-113.6	116	173.7	-57.3	169.7	0	0	0	107.5	V293 E299	I291-V293 HydrophobicContact CG2-CG2 4.1Å; I291-E299 HydrophobicContact CG2-CB 4.07Å; I291-E299 HydrophobicContact CG2-CG 3.87Å
292	Y	88.2	Confident	89.5	Confident	127 Å²	127	61.4 Å²	61.4	50%	0.498	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.3	173.7	-59.2	-88.8	0	0	0	108.5	H290 E299 I300	H290-Y292 HydrophobicContact CB-CE2 3.95Å; Y292-E299 CarbonylContact O-C 3.59Å; Y292-E299 WeakPolarHBondContact O-CA 3.39Å; Y292-I300 PolarHBondContact N-O 3.19Å; Y292-I300 VanDerWaalsContact N-O 3.12Å; Y292-I300 PolarHBondContact O-N 2.78Å
293	V	88.6	Confident	89.3	Confident	99 Å²	99	65 Å²	65	60%	0.6	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	123	-179	-173.8	0	0	0	0	109	I291 K298	I291-V293 HydrophobicContact CG2-CG2 4.1Å; V293-K298 WeakPolarHBondContact CA-O 3.47Å
294	S	88.4	Confident	89.5	Confident	36 Å²	36	65.5 Å²	65.5	25%	0.252	36%	0.36	S	S	.	.			trans	-78.3	166.8	175.5	60.4	0	0	0	0	111.9	D296 Q297 K298	S294-D296 VanDerWaalsContact CB-OD1 3.27Å; S294-D296 WeakPolarHBondContact CB-OD1 3.32Å; S294-D296 PolarHBondContact O-N 2.95Å; S294-D296 VanDerWaalsContact O-N 3.16Å; S294-D296 PolarHBondContact OG-OD1 2.77Å; S294-Q297 PolarHBondContact O-N 2.95Å; S294-K298 PolarHBondContact N-O 3.12Å; S294-K298 WeakPolarHBondContact OG-CA 3.39Å; S294-K298 WeakPolarHBondContact OG-CB 3.35Å; S294-K298 PolarHBondContact OG-N 2.81Å; S294-K298 PolarHBondContact OG-O 3.19Å; S294-K298 VanDerWaalsContact OG-O 3.13Å
295	G	89.7	Confident	89.6	Confident	92 Å²	92	70 Å²	70	95%	0.948	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.3	177.8	0	0	0	0	0	114.6	Q297	G295-Q297 VanDerWaalsContact C-N 3.34Å
296	D	89.4	Confident	89.6	Confident	95 Å²	95	76 Å²	76	51%	0.508	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	19.6	172.5	67.5	-28.8	0	0	0	113.4	S294 K298	S294-D296 VanDerWaalsContact CB-OD1 3.27Å; S294-D296 WeakPolarHBondContact CB-OD1 3.32Å; S294-D296 PolarHBondContact O-N 2.95Å; S294-D296 VanDerWaalsContact O-N 3.16Å; S294-D296 PolarHBondContact OG-OD1 2.77Å; D296-K298 PolarHBondContact O-N 3.36Å; D296-K298 VanDerWaalsContact OD2-CD 3.3Å; D296-K298 WeakPolarHBondContact OD2-CD 3.45Å; D296-K298 WeakPolarHBondContact OD2-CE 3.48Å; D296-K298 IonicContact OD2-NZ 2.75Å; D296-K298 PolarHBondContact OD2-NZ 3.19Å
297	Q	83.6	Confident	89.6	Confident	169 Å²	169	76 Å²	76	79%	0.79	41%	0.412	S	S	*	.	S	Bend	trans	60.7	24.7	177.4	-56.2	-178	-4.3	0	0	114.8	S294 G295	S294-Q297 PolarHBondContact O-N 2.95Å; G295-Q297 VanDerWaalsContact C-N 3.34Å
298	K	83.5	Confident	89.7	Confident	134 Å²	134	76.9 Å²	76.9	58%	0.583	42%	0.42	S	S	*	.			trans	-85	137.5	170.1	-65.3	177.5	-179.9	138.9	0	110	V293 S294 D296	V293-K298 WeakPolarHBondContact CA-O 3.47Å; S294-K298 PolarHBondContact N-O 3.12Å; S294-K298 WeakPolarHBondContact OG-CA 3.39Å; S294-K298 WeakPolarHBondContact OG-CB 3.35Å; S294-K298 PolarHBondContact OG-N 2.81Å; S294-K298 PolarHBondContact OG-O 3.19Å; S294-K298 VanDerWaalsContact OG-O 3.13Å; D296-K298 PolarHBondContact O-N 3.36Å; D296-K298 VanDerWaalsContact OD2-CD 3.3Å; D296-K298 WeakPolarHBondContact OD2-CD 3.45Å; D296-K298 WeakPolarHBondContact OD2-CE 3.48Å; D296-K298 IonicContact OD2-NZ 2.75Å; D296-K298 PolarHBondContact OD2-NZ 3.19Å
299	E	86.1	Confident	89.9	Confident	75 Å²	75	79.6 Å²	79.6	35%	0.35	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.2	174.1	-63	-177	159.2	0	0	110.8	I291 Y292 R327	I291-E299 HydrophobicContact CG2-CB 4.07Å; I291-E299 HydrophobicContact CG2-CG 3.87Å; Y292-E299 CarbonylContact O-C 3.59Å; Y292-E299 WeakPolarHBondContact O-CA 3.39Å; E299-R327 VanDerWaalsContact CD-NH1 3.29Å; E299-R327 IonicContact OE1-NH1 2.62Å; E299-R327 PolarHBondContact OE1-NH1 3.18Å; E299-R327 IonicContact OE2-CZ 3.23Å; E299-R327 IonicContact OE2-NH1 2.71Å; E299-R327 PolarHBondContact OE2-NH1 3.23Å
300	I	85.8	Confident	90.2	Very high	102 Å²	102	77.7 Å²	77.7	52%	0.523	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.1	171	-56.1	170.8	0	0	0	107.4	Y292	Y292-I300 PolarHBondContact N-O 3.19Å; Y292-I300 VanDerWaalsContact N-O 3.12Å; Y292-I300 PolarHBondContact O-N 2.78Å
301	I	86.9	Confident	90.6	Very high	21 Å²	21	72.8 Å²	72.8	11%	0.108	39%	0.391	C	S	.	.			trans	-118.2	154.9	173.7	60.3	172.8	0	0	0	109.3	T333 L334	I301-T333 HydrophobicContact CD1-CG2 4.11Å; I301-T333 HydrophobicContact CG1-CG2 4.05Å; I301-L334 HydrophobicContact CD1-CD2 3.96Å
302	S	88.6	Confident	91	Very high	59 Å²	59	72 Å²	72	41%	0.413	39%	0.392	S	S	.	.			trans	-135.3	156.6	177.3	61.9	0	0	0	0	111.2	T287	T287-S302 WeakPolarHBondContact CB-O 3.22Å; T287-S302 WeakPolarHBondContact CG2-O 3.36Å
303	Y	91.6	Very high	91.3	Very high	77 Å²	77	68.8 Å²	68.8	30%	0.302	38%	0.383	S	S	.	.			trans	-138.9	159.6	175.4	68.5	-87.2	0	0	0	109.4	L286 A308 L337 L339	L286-Y303 HydrophobicContact CD1-CG 4.46Å; L286-Y303 WeakPolarHBondContact O-CB 3.48Å; Y303-A308 HydrophobicContact CD2-CB 4.3Å; Y303-A308 HydrophobicContact CE2-CB 3.64Å; Y303-L337 HydrophobicContact CD1-CD2 3.52Å; Y303-L337 HydrophobicContact CE1-CB 4.14Å; Y303-L337 HydrophobicContact CE1-CD2 3.48Å; Y303-L337 VanDerWaalsContact CE1-CD2 3.48Å; Y303-L337 HydrophobicContact CE1-CG 4.39Å; Y303-L337 PolarHBondContact OH-O 2.68Å; Y303-L339 HydrophobicContact CE2-CD2 4.19Å
304	D	94.8	Very high	91.7	Very high	39 Å²	39	64 Å²	64	21%	0.209	35%	0.354	C	S	.	.			trans	-82.4	135.9	178.8	-160.7	-66.4	0	0	0	111.3	K306 D307 A308	D304-K306 PolarHBondContact O-N 3.19Å; D304-K306 VanDerWaalsContact OD1-CB 3.22Å; D304-K306 WeakPolarHBondContact OD1-CB 3.35Å; D304-K306 VanDerWaalsContact OD1-CG 3.29Å; D304-K306 WeakPolarHBondContact OD1-CG 3.49Å; D304-K306 PolarHBondContact OD1-N 3.33Å; D304-D307 WeakPolarHBondContact O-CB 3.4Å; D304-D307 PolarHBondContact O-N 3.43Å; D304-A308 PolarHBondContact O-N 2.85Å
305	V	94.3	Very high	92	Very high	103 Å²	103	65.1 Å²	65.1	62%	0.624	35%	0.354	S	S	*	.	H	α-helix	trans	-59.5	-30.9	177.4	176.3	0	0	0	0	111.5	D307 A308 I309	V305-D307 VanDerWaalsContact C-N 3.3Å; V305-D307 PolarHBondContact O-N 3.25Å; V305-A308 WeakPolarHBondContact O-CB 3.38Å; V305-A308 PolarHBondContact O-N 2.88Å; V305-I309 HydrophobicContact CG1-CD1 4.23Å; V305-I309 WeakPolarHBondContact O-CG1 3.41Å; V305-I309 PolarHBondContact O-N 3.05Å
306	K	95.5	Very high	92.2	Very high	127 Å²	127	68.9 Å²	68.9	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-41.3	174.6	-66	173.9	-177.1	175.8	0	111.6	D304 I309 G310 R415	D304-K306 PolarHBondContact O-N 3.19Å; D304-K306 VanDerWaalsContact OD1-CB 3.22Å; D304-K306 WeakPolarHBondContact OD1-CB 3.35Å; D304-K306 VanDerWaalsContact OD1-CG 3.29Å; D304-K306 WeakPolarHBondContact OD1-CG 3.49Å; D304-K306 PolarHBondContact OD1-N 3.33Å; K306-I309 WeakPolarHBondContact O-CB 3.48Å; K306-I309 PolarHBondContact O-N 2.87Å; K306-G310 PolarHBondContact O-N 2.99Å; K306-R415 HydrophobicContact CB-CB 4.18Å; K306-R415 HydrophobicContact CB-CG 4.32Å; K306-R415 WeakPolarHBondContact O-CB 3.3Å
307	D	96.1	Very high	92.3	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-41.9	178.4	-69.9	-39.4	0	0	0	111	L286 D304 V305 I309 G310 I311 G412 A413 I414 R415	L286-D307 HydrophobicContact CD1-CB 4.46Å; D304-D307 WeakPolarHBondContact O-CB 3.4Å; D304-D307 PolarHBondContact O-N 3.43Å; V305-D307 VanDerWaalsContact C-N 3.3Å; V305-D307 PolarHBondContact O-N 3.25Å; D307-I309 VanDerWaalsContact C-N 3.32Å; D307-I309 PolarHBondContact O-N 3Å; D307-G310 WeakPolarHBondContact O-CA 3.5Å; D307-G310 PolarHBondContact O-N 3.29Å; D307-G310 VanDerWaalsContact O-N 3.11Å; D307-I311 WeakPolarHBondContact O-CG1 3.29Å; D307-I311 PolarHBondContact O-N 2.89Å; D307-G412 WeakPolarHBondContact OD1-CA 3.4Å; D307-G412 WeakPolarHBondContact OD2-CA 3.45Å; D307-G412 PolarHBondContact OD2-N 3.39Å; D307-A413 PolarHBondContact OD1-N 2.95Å; D307-I414 HydrophobicContact CB-CB 3.98Å; D307-I414 HydrophobicContact CB-CD1 4.31Å; D307-I414 WeakPolarHBondContact OD1-CA 3.16Å; D307-I414 WeakPolarHBondContact OD1-CB 3.5Å; D307-I414 PolarHBondContact OD1-N 2.85Å; D307-R415 PolarHBondContact OD1-N 2.78Å
308	A	95.1	Very high	92.7	Very high	22 Å²	22	61.5 Å²	61.5	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-42.8	170.4	0	0	0	0	0	112.9	Y303 D304 V305 I311 S312 L339	Y303-A308 HydrophobicContact CD2-CB 4.3Å; Y303-A308 HydrophobicContact CE2-CB 3.64Å; D304-A308 PolarHBondContact O-N 2.85Å; V305-A308 WeakPolarHBondContact O-CB 3.38Å; V305-A308 PolarHBondContact O-N 2.88Å; A308-I311 PolarHBondContact O-N 3.49Å; A308-S312 WeakPolarHBondContact O-CB 3.4Å; A308-S312 PolarHBondContact O-N 3.4Å; A308-L339 HydrophobicContact CB-CD2 3.68Å
309	I	95.4	Very high	93.3	Very high	82 Å²	82	55.3 Å²	55.3	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-42.4	175.5	-62.1	166.1	0	0	0	110.2	V305 K306 D307 S312 L313	V305-I309 HydrophobicContact CG1-CD1 4.23Å; V305-I309 WeakPolarHBondContact O-CG1 3.41Å; V305-I309 PolarHBondContact O-N 3.05Å; K306-I309 WeakPolarHBondContact O-CB 3.48Å; K306-I309 PolarHBondContact O-N 2.87Å; D307-I309 VanDerWaalsContact C-N 3.32Å; D307-I309 PolarHBondContact O-N 3Å; I309-S312 WeakPolarHBondContact O-CB 3.34Å; I309-S312 PolarHBondContact O-N 2.72Å; I309-L313 HydrophobicContact CG2-CD1 4.27Å; I309-L313 HydrophobicContact CG2-CG 4.36Å; I309-L313 WeakPolarHBondContact O-CG 3.4Å; I309-L313 PolarHBondContact O-N 3.39Å
310	G	96.3	Very high	93.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.2	-49.9	175.7	0	0	0	0	0	112.4	K306 D307 S312 L313 L314	K306-G310 PolarHBondContact O-N 2.99Å; D307-G310 WeakPolarHBondContact O-CA 3.5Å; D307-G310 PolarHBondContact O-N 3.29Å; D307-G310 VanDerWaalsContact O-N 3.11Å; G310-S312 VanDerWaalsContact C-N 3.33Å; G310-S312 PolarHBondContact O-N 2.91Å; G310-L313 PolarHBondContact O-N 2.85Å; G310-L314 WeakPolarHBondContact O-CG 3.27Å; G310-L314 PolarHBondContact O-N 3.48Å
311	I	96.9	Very high	94.4	Very high	2 Å²	2	50 Å²	50	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-57.2	-46.5	174.4	-66.7	172	0	0	0	110.8	L286 D307 A308 L313 L314 K315 V321 L339 C341 I414	L286-I311 HydrophobicContact CD1-CD1 4.14Å; D307-I311 WeakPolarHBondContact O-CG1 3.29Å; D307-I311 PolarHBondContact O-N 2.89Å; A308-I311 PolarHBondContact O-N 3.49Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 2.81Å; I311-L314 PolarHBondContact O-N 3.43Å; I311-K315 HydrophobicContact CG2-CD 4.23Å; I311-K315 WeakPolarHBondContact O-CG 3.47Å; I311-K315 PolarHBondContact O-N 2.69Å; I311-V321 HydrophobicContact CG1-CG1 4.29Å; I311-V321 HydrophobicContact CG2-CB 4.15Å; I311-V321 HydrophobicContact CG2-CG1 4.18Å; I311-V321 HydrophobicContact CG2-CG2 4.2Å; I311-L339 HydrophobicContact CD1-CD1 4.03Å; I311-L339 HydrophobicContact CD1-CD2 4.25Å; I311-C341 VanDerWaalsContact CG2-SG 3.53Å; I311-I414 HydrophobicContact CD1-CD1 4.29Å; I311-I414 HydrophobicContact CD1-CG2 4.44Å; I311-I414 HydrophobicContact CG1-CG2 3.79Å
312	S	95.6	Very high	94.9	Very high	51 Å²	51	49.6 Å²	49.6	36%	0.357	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-39.6	179	-173.9	0	0	0	0	112.6	A308 I309 G310 K316	A308-S312 WeakPolarHBondContact O-CB 3.4Å; A308-S312 PolarHBondContact O-N 3.4Å; I309-S312 WeakPolarHBondContact O-CB 3.34Å; I309-S312 PolarHBondContact O-N 2.72Å; G310-S312 VanDerWaalsContact C-N 3.33Å; G310-S312 PolarHBondContact O-N 2.91Å; S312-K316 WeakPolarHBondContact O-CB 3.27Å; S312-K316 VanDerWaalsContact O-CG 3.29Å; S312-K316 WeakPolarHBondContact O-CG 3.44Å; S312-K316 PolarHBondContact O-N 3.36Å
313	L	95.2	Very high	95.2	Very high	59 Å²	59	46.8 Å²	46.8	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-44.8	177.1	-72	175.9	0	0	0	111.8	I309 G310 I311 K315 K316 S317 F422	I309-L313 HydrophobicContact CG2-CD1 4.27Å; I309-L313 HydrophobicContact CG2-CG 4.36Å; I309-L313 WeakPolarHBondContact O-CG 3.4Å; I309-L313 PolarHBondContact O-N 3.39Å; G310-L313 PolarHBondContact O-N 2.85Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 2.81Å; L313-K315 VanDerWaalsContact C-N 3.33Å; L313-K315 PolarHBondContact O-N 3.07Å; L313-K316 PolarHBondContact O-N 3.14Å; L313-S317 PolarHBondContact O-N 3.42Å; L313-F422 HydrophobicContact CB-CE2 3.94Å; L313-F422 HydrophobicContact CB-CZ 3.94Å
314	L	96.1	Very high	95.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-46.2	176.5	-71.8	169.2	0	0	0	111	L278 G310 I311 K316 S317 G318 I319 V321 A418 I421 F422	L278-L314 HydrophobicContact CD2-CD1 3.42Å; L278-L314 VanDerWaalsContact CD2-CD1 3.42Å; G310-L314 WeakPolarHBondContact O-CG 3.27Å; G310-L314 PolarHBondContact O-N 3.48Å; I311-L314 PolarHBondContact O-N 3.43Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 3.4Å; L314-S317 PolarHBondContact O-N 2.97Å; L314-S317 VanDerWaalsContact O-N 3.15Å; L314-S317 PolarHBondContact O-OG 3.33Å; L314-G318 PolarHBondContact O-N 3.24Å; L314-I319 CarbonylContact C-O 3.55Å; L314-I319 HydrophobicContact CB-CB 4.15Å; L314-I319 HydrophobicContact CB-CG2 4.44Å; L314-I319 HydrophobicContact CD2-CB 4.44Å; L314-I319 HydrophobicContact CD2-CD1 3.73Å; L314-I319 HydrophobicContact CD2-CG2 4.46Å; L314-I319 WeakPolarHBondContact O-CA 3.14Å; L314-I319 WeakPolarHBondContact O-CB 3.21Å; L314-I319 PolarHBondContact O-N 3.37Å; L314-V321 HydrophobicContact CB-CG2 3.87Å; L314-V321 HydrophobicContact CD1-CG2 4.07Å; L314-A418 HydrophobicContact CD1-CB 3.72Å; L314-A418 HydrophobicContact CD2-CB 3.98Å; L314-A418 HydrophobicContact CG-CB 3.74Å; L314-I421 HydrophobicContact CD2-CB 4.41Å; L314-I421 HydrophobicContact CD2-CD1 4.16Å; L314-I421 HydrophobicContact CD2-CG2 4.2Å; L314-F422 HydrophobicContact CD2-CE1 4.12Å; L314-F422 HydrophobicContact CD2-CE2 4.33Å; L314-F422 HydrophobicContact CD2-CZ 3.81Å; L314-F422 HydrophobicContact CG-CZ 4.21Å
315	K	95.3	Very high	95.3	Very high	59 Å²	59	41.3 Å²	41.3	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-61	-41.9	176.1	-70.5	-179.2	61.7	175.3	0	112.5	I311 L313 S317 G318 I319 V321 D340	I311-K315 HydrophobicContact CG2-CD 4.23Å; I311-K315 WeakPolarHBondContact O-CG 3.47Å; I311-K315 PolarHBondContact O-N 2.69Å; L313-K315 VanDerWaalsContact C-N 3.33Å; L313-K315 PolarHBondContact O-N 3.07Å; K315-S317 PolarHBondContact O-N 3.06Å; K315-G318 PolarHBondContact O-N 2.84Å; K315-I319 VanDerWaalsContact CA-O 3.31Å; K315-I319 WeakPolarHBondContact CA-O 3.24Å; K315-I319 PolarHBondContact N-O 2.88Å; K315-V321 HydrophobicContact CG-CG2 4.18Å; K315-D340 VanDerWaalsContact NZ-CG 3.29Å; K315-D340 PolarHBondContact NZ-O 3.2Å; K315-D340 IonicContact NZ-OD2 2.93Å; K315-D340 PolarHBondContact NZ-OD2 3.21Å
316	K	93.6	Very high	95.2	Very high	171 Å²	171	40.4 Å²	40.4	74%	0.743	22%	0.218	S	C	*	.	H	α-helix	trans	-64.8	-26.1	177.5	-76	175	-176.2	179.1	0	113.2	S312 L313 L314 G318	S312-K316 WeakPolarHBondContact O-CB 3.27Å; S312-K316 VanDerWaalsContact O-CG 3.29Å; S312-K316 WeakPolarHBondContact O-CG 3.44Å; S312-K316 PolarHBondContact O-N 3.36Å; L313-K316 PolarHBondContact O-N 3.14Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 3.4Å; K316-G318 VanDerWaalsContact C-N 3.29Å
317	S	91.1	Very high	94.8	Very high	47 Å²	47	36.7 Å²	36.7	33%	0.329	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	7.4	174	70.8	0	0	0	0	113.5	L313 L314 K315 F422	L313-S317 PolarHBondContact O-N 3.42Å; L314-S317 PolarHBondContact O-N 2.97Å; L314-S317 VanDerWaalsContact O-N 3.15Å; L314-S317 PolarHBondContact O-OG 3.33Å; K315-S317 PolarHBondContact O-N 3.06Å; S317-F422 WeakPolarHBondContact OG-CE1 3.17Å
318	G	93.3	Very high	94	Very high	62 Å²	62	40.1 Å²	40.1	64%	0.639	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	12.8	-180	0	0	0	0	0	115	L314 K315 K316	L314-G318 PolarHBondContact O-N 3.24Å; K315-G318 PolarHBondContact O-N 2.84Å; K316-G318 VanDerWaalsContact C-N 3.29Å
319	I	96.3	Very high	92.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	22%	0.223	C	C	.	.			trans	-92.1	118.4	174	-57.1	-178.8	0	0	0	108.9	I275 L278 L314 K315 I421 M425	I275-I319 HydrophobicContact CB-CD1 4.47Å; I275-I319 HydrophobicContact CG2-CD1 4.44Å; I275-I319 HydrophobicContact CG2-CG2 4.35Å; I275-I319 WeakPolarHBondContact O-CG1 3.44Å; L278-I319 HydrophobicContact CB-CG2 4.34Å; L314-I319 CarbonylContact C-O 3.55Å; L314-I319 HydrophobicContact CB-CB 4.15Å; L314-I319 HydrophobicContact CB-CG2 4.44Å; L314-I319 HydrophobicContact CD2-CB 4.44Å; L314-I319 HydrophobicContact CD2-CD1 3.73Å; L314-I319 HydrophobicContact CD2-CG2 4.46Å; L314-I319 WeakPolarHBondContact O-CA 3.14Å; L314-I319 WeakPolarHBondContact O-CB 3.21Å; L314-I319 PolarHBondContact O-N 3.37Å; K315-I319 VanDerWaalsContact CA-O 3.31Å; K315-I319 WeakPolarHBondContact CA-O 3.24Å; K315-I319 PolarHBondContact N-O 2.88Å; I319-I421 HydrophobicContact CD1-CG2 3.74Å; I319-M425 HydrophobicContact CD1-CE 4.12Å; I319-M425 HydrophobicContact CD1-SD 3.63Å
320	E	97.3	Very high	91.7	Very high	65 Å²	65	38 Å²	38	30%	0.304	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.6	172.5	-177.3	66.2	-179	0	0	109.7	K276 L277 L278 R322 M361	K276-E320 PolarHBondContact O-N 2.98Å; L277-E320 CarbonylContact C-O 3.59Å; L277-E320 WeakPolarHBondContact CA-O 3.34Å; L277-E320 HydrophobicContact CD1-CB 4.18Å; L277-E320 HydrophobicContact CD1-CG 4.14Å; L278-E320 PolarHBondContact N-O 3.45Å; E320-R322 HydrophobicContact CG-CG 4.05Å; E320-M361 HydrophobicContact CB-CE 3.62Å; E320-M361 HydrophobicContact CB-SD 4.34Å; E320-M361 HydrophobicContact CG-CE 4.1Å; E320-M361 HydrophobicContact CG-SD 4.27Å
321	V	97.7	Very high	90.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.9	175.3	-174.6	0	0	0	0	109.2	L278 I311 L314 K315 L323 C341	L278-V321 HydrophobicContact CB-CG2 4.4Å; L278-V321 HydrophobicContact CD2-CG1 4.41Å; L278-V321 CarbonylContact O-C 3.57Å; L278-V321 WeakPolarHBondContact O-CA 3.4Å; I311-V321 HydrophobicContact CG1-CG1 4.29Å; I311-V321 HydrophobicContact CG2-CB 4.15Å; I311-V321 HydrophobicContact CG2-CG1 4.18Å; I311-V321 HydrophobicContact CG2-CG2 4.2Å; L314-V321 HydrophobicContact CB-CG2 3.87Å; L314-V321 HydrophobicContact CD1-CG2 4.07Å; K315-V321 HydrophobicContact CG-CG2 4.18Å; V321-L323 HydrophobicContact CG1-CD2 4.5Å; V321-C341 WeakPolarHBondContact O-CB 3.5Å
322	R	97.2	Very high	89.2	Confident	12 Å²	12	51.8 Å²	51.8	5%	0.045	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.5	177.1	-57.9	-170.3	174.9	-167	-2.2	110.3	L277 L278 V279 C280 E320 K342 W357 E360	L277-R322 HydrophobicContact CD1-CB 4.24Å; L277-R322 HydrophobicContact CD1-CG 3.72Å; L278-R322 PolarHBondContact O-N 3.14Å; V279-R322 CarbonylContact C-O 3.54Å; V279-R322 WeakPolarHBondContact CA-O 3.29Å; C280-R322 PolarHBondContact N-O 3.14Å; E320-R322 HydrophobicContact CG-CG 4.05Å; R322-K342 CarbonylContact C-O 3.58Å; R322-K342 WeakPolarHBondContact CA-O 3.35Å; R322-K342 HydrophobicContact CG-CB 4.1Å; R322-W357 HydrophobicContact CB-CD2 4.39Å; R322-W357 HydrophobicContact CB-CE3 3.76Å; R322-W357 HydrophobicContact CB-CH2 3.95Å; R322-W357 HydrophobicContact CB-CZ3 3.53Å; R322-W357 HydrophobicContact CG-CE3 4.33Å; R322-W357 VanDerWaalsContact NH1-CB 3.28Å; R322-E360 IonicContact CZ-OE1 2.68Å; R322-E360 IonicContact CZ-OE2 3.9Å; R322-E360 IonicContact NH1-OE1 2.84Å; R322-E360 IonicContact NH1-OE2 3.66Å; R322-E360 PolarHBondContact NH1-OE2 3.05Å; R322-E360 IonicContact NH2-OE1 2.7Å; R322-E360 PolarHBondContact NH2-OE1 2.88Å; R322-E360 IonicContact NH2-OE2 2.72Å
323	L	95.5	Very high	88	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.5	-176.1	-58.4	178.6	0	0	0	110.9	C280 I282 L286 V321 L339 C341 K342 M343 E344 W357	C280-L323 HydrophobicContact CB-CD2 3.85Å; C280-L323 WeakPolarHBondContact O-CA 3.41Å; I282-L323 HydrophobicContact CD1-CB 4.05Å; I282-L323 HydrophobicContact CG1-CB 3.81Å; L286-L323 HydrophobicContact CD2-CD1 3.63Å; L286-L323 HydrophobicContact CD2-CD2 4.38Å; V321-L323 HydrophobicContact CG1-CD2 4.5Å; L323-L339 HydrophobicContact CD1-CD1 4.15Å; L323-C341 HydrophobicContact CD1-CB 4.15Å; L323-C341 HydrophobicContact CG-CB 4.08Å; L323-K342 PolarHBondContact N-O 3.17Å; L323-M343 HydrophobicContact CB-CB 4.3Å; L323-M343 HydrophobicContact CB-CG 3.97Å; L323-M343 HydrophobicContact CB-SD 4.39Å; L323-M343 HydrophobicContact CD1-CE 3.71Å; L323-M343 HydrophobicContact CD1-CG 4.16Å; L323-M343 HydrophobicContact CD1-SD 3.8Å; L323-M343 HydrophobicContact CG-CG 4.45Å; L323-M343 VanDerWaalsContact O-CA 3.26Å; L323-M343 WeakPolarHBondContact O-CA 3.33Å; L323-E344 PolarHBondContact O-N 3.15Å; L323-W357 WeakPolarHBondContact O-CH2 3.47Å
324	I	95.1	Very high	87	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.2	-173.4	-156.7	175.4	0	0	0	111.1	V279 C280 N281 I282 E344 I347 K350 I353 V354 W357 Y370	V279-I324 HydrophobicContact CG1-CB 4.24Å; V279-I324 HydrophobicContact CG1-CG2 3.88Å; C280-I324 PolarHBondContact O-N 3.19Å; N281-I324 CarbonylContact C-O 3.56Å; N281-I324 VanDerWaalsContact CA-O 3.32Å; N281-I324 WeakPolarHBondContact CA-O 3.42Å; N281-I324 PolarHBondContact OD1-O 2.88Å; N281-I324 VanDerWaalsContact OD1-O 3.08Å; I282-I324 PolarHBondContact N-O 3.45Å; I324-E344 CarbonylContact C-O 3.57Å; I324-E344 WeakPolarHBondContact CA-O 3.35Å; I324-I347 HydrophobicContact CD1-CD1 3.27Å; I324-I347 HydrophobicContact CG1-CD1 3.27Å; I324-I347 HydrophobicContact CG1-CG1 4.17Å; I324-K350 HydrophobicContact CD1-CB 4.05Å; I324-K350 HydrophobicContact CD1-CG 4.39Å; I324-I353 HydrophobicContact CD1-CB 4.11Å; I324-I353 HydrophobicContact CD1-CG2 3.96Å; I324-V354 HydrophobicContact CD1-CG2 4.28Å; I324-W357 HydrophobicContact CB-CH2 4.24Å; I324-W357 HydrophobicContact CB-CZ3 4.37Å; I324-W357 HydrophobicContact CD1-CH2 4.44Å; I324-W357 HydrophobicContact CD1-CZ3 4.37Å; I324-W357 HydrophobicContact CG1-CH2 4.3Å; I324-Y370 HydrophobicContact CG2-CE2 4.44Å
325	S	92.9	Very high	85.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141.5	173.8	177.6	0	0	0	0	113	D283 R327 E344 V345 S346 I347	D283-S325 WeakPolarHBondContact OD2-CB 3.4Å; D283-S325 PolarHBondContact OD2-OG 2.98Å; S325-R327 VanDerWaalsContact C-N 3.27Å; S325-R327 WeakPolarHBondContact OG-CB 3.27Å; S325-R327 PolarHBondContact OG-N 3.05Å; S325-E344 PolarHBondContact N-O 3.4Å; S325-V345 CarbonylContact O-C 3.46Å; S325-V345 VanDerWaalsContact O-CA 3.26Å; S325-V345 WeakPolarHBondContact O-CA 3.44Å; S325-S346 PolarHBondContact O-N 3.13Å; S325-S346 VanDerWaalsContact O-N 3.14Å; S325-I347 VanDerWaalsContact O-CG1 3.25Å; S325-I347 WeakPolarHBondContact O-CG1 3.46Å; S325-I347 PolarHBondContact O-N 2.98Å
326	E	91.6	Very high	85	Confident	83 Å²	83	53.8 Å²	53.8	39%	0.388	31%	0.306	S	S	.	.	S	Bend	trans	-74	-23	169.4	-70.1	165.5	132	0	0	112.1	I347 K350 S376	E326-I347 WeakPolarHBondContact CA-O 3.18Å; E326-I347 WeakPolarHBondContact CG-O 3.41Å; E326-K350 VanDerWaalsContact CG-CE 3.44Å; E326-K350 HydrophobicContact CG-CG 4.45Å; E326-K350 WeakPolarHBondContact OE2-CE 3.39Å; E326-K350 IonicContact OE2-NZ 2.81Å; E326-S376 VanDerWaalsContact CD-OG 3.25Å; E326-S376 WeakPolarHBondContact OE1-CB 3.42Å; E326-S376 PolarHBondContact OE1-OG 2.9Å; E326-S376 WeakPolarHBondContact OE2-CB 3.48Å; E326-S376 PolarHBondContact OE2-OG 2.76Å
327	R	87	Confident	84.2	Confident	49 Å²	49	46.2 Å²	46.2	19%	0.185	27%	0.274	C	S	.	.	S	Bend	trans	-74.3	138.4	-176.9	-165.7	170.8	67.4	89	-1.1	110.6	D283 E299 S325 C329 S346	D283-R327 IonicContact OD1-CZ 3.69Å; D283-R327 IonicContact OD1-NE 2.76Å; D283-R327 PolarHBondContact OD1-NE 3.01Å; D283-R327 IonicContact OD1-NH2 2.89Å; D283-R327 PolarHBondContact OD1-NH2 2.83Å; D283-R327 IonicContact OD2-NE 3.52Å; E299-R327 VanDerWaalsContact CD-NH1 3.29Å; E299-R327 IonicContact OE1-NH1 2.62Å; E299-R327 PolarHBondContact OE1-NH1 3.18Å; E299-R327 IonicContact OE2-CZ 3.23Å; E299-R327 IonicContact OE2-NH1 2.71Å; E299-R327 PolarHBondContact OE2-NH1 3.23Å; S325-R327 VanDerWaalsContact C-N 3.27Å; S325-R327 WeakPolarHBondContact OG-CB 3.27Å; S325-R327 PolarHBondContact OG-N 3.05Å; R327-C329 VanDerWaalsContact C-N 3.31Å; R327-C329 PolarHBondContact O-N 3.49Å; R327-S346 PolarHBondContact O-N 3.36Å
328	A	78.6	Confident	83.8	Confident	72 Å²	72	53.1 Å²	53.1	60%	0.595	30%	0.298	S	S	*	.			trans	-72.5	87.4	168.1	0	0	0	0	0	109.9	S346	A328-S346 VanDerWaalsContact CA-OG 3.28Å; A328-S346 WeakPolarHBondContact CA-OG 3.41Å; A328-S346 WeakPolarHBondContact CB-OG 3.38Å
329	C	71.2	Confident	83.4	Confident	10 Å²	10	50.9 Å²	50.9	7%	0.068	27%	0.271	C	S	.	.			trans	-97.6	143.8	170.8	-166	0	0	0	0	110	R327 K331 L334	R327-C329 VanDerWaalsContact C-N 3.31Å; R327-C329 PolarHBondContact O-N 3.49Å; C329-K331 PolarHBondContact O-N 3.35Å; C329-L334 HydrophobicContact CB-CD1 4.01Å; C329-L334 HydrophobicContact CB-CG 4.28Å
330	S	72.1	Confident	83	Confident	49 Å²	49	57.1 Å²	57.1	34%	0.343	31%	0.305	S	S	.	.			trans	-60.6	123.3	174.7	174.1	0	0	0	0	110.2	Q332 T333 L334	S330-Q332 PolarHBondContact O-N 2.81Å; S330-Q332 VanDerWaalsContact O-N 3.09Å; S330-Q332 WeakPolarHBondContact OG-CB 3.28Å; S330-Q332 PolarHBondContact OG-N 3.37Å; S330-T333 WeakPolarHBondContact O-CB 3.45Å; S330-T333 PolarHBondContact O-N 3.19Å; S330-L334 PolarHBondContact O-N 2.86Å; S330-L334 VanDerWaalsContact O-N 3.11Å
331	K	69.7	Low	82.7	Confident	139 Å²	139	54.8 Å²	54.8	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-54.6	-28.7	173.5	-68.4	-169.9	177	-168.2	0	111.8	C329 S335 V345	C329-K331 PolarHBondContact O-N 3.35Å; K331-S335 VanDerWaalsContact O-CB 3.31Å; K331-S335 WeakPolarHBondContact O-CB 3.21Å; K331-S335 PolarHBondContact O-N 3.17Å; K331-S335 PolarHBondContact O-OG 3.31Å; K331-V345 HydrophobicContact CG-CG2 4.29Å
332	Q	70.4	Confident	82.4	Confident	153 Å²	153	58.2 Å²	58.2	72%	0.715	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-47.2	175.4	-64.7	153.6	-8	0	0	111.2	S330 L334 S335 S336	S330-Q332 PolarHBondContact O-N 2.81Å; S330-Q332 VanDerWaalsContact O-N 3.09Å; S330-Q332 WeakPolarHBondContact OG-CB 3.28Å; S330-Q332 PolarHBondContact OG-N 3.37Å; Q332-L334 VanDerWaalsContact C-N 3.31Å; Q332-L334 PolarHBondContact O-N 3.24Å; Q332-S335 WeakPolarHBondContact CA-OG 3.07Å; Q332-S335 PolarHBondContact O-N 3.04Å; Q332-S335 PolarHBondContact O-OG 3.23Å; Q332-S336 PolarHBondContact O-N 3.3Å; Q332-S336 VanDerWaalsContact O-N 3.16Å
333	T	71.9	Confident	82.2	Confident	42 Å²	42	59.5 Å²	59.5	26%	0.258	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-44	176.3	-55.2	0	0	0	0	110.9	I301 S330 S336	I301-T333 HydrophobicContact CD1-CG2 4.11Å; I301-T333 HydrophobicContact CG1-CG2 4.05Å; S330-T333 WeakPolarHBondContact O-CB 3.45Å; S330-T333 PolarHBondContact O-N 3.19Å; T333-S336 WeakPolarHBondContact O-CB 3.46Å; T333-S336 PolarHBondContact O-N 2.87Å; T333-S336 PolarHBondContact O-OG 3.22Å
334	L	74.1	Confident	82	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-38.8	178.4	-69.8	178.3	0	0	0	113.3	I282 I301 C329 S330 Q332 S336 L337 M343 V345	I282-L334 HydrophobicContact CD1-CD1 3.98Å; I282-L334 HydrophobicContact CD1-CD2 4.11Å; I282-L334 HydrophobicContact CG2-CD2 4.38Å; I301-L334 HydrophobicContact CD1-CD2 3.96Å; C329-L334 HydrophobicContact CB-CD1 4.01Å; C329-L334 HydrophobicContact CB-CG 4.28Å; S330-L334 PolarHBondContact O-N 2.86Å; S330-L334 VanDerWaalsContact O-N 3.11Å; Q332-L334 VanDerWaalsContact C-N 3.31Å; Q332-L334 PolarHBondContact O-N 3.24Å; L334-S336 PolarHBondContact O-N 3.5Å; L334-L337 HydrophobicContact CD2-CD1 3.75Å; L334-L337 VanDerWaalsContact O-CB 3.28Å; L334-L337 WeakPolarHBondContact O-CB 3.12Å; L334-L337 VanDerWaalsContact O-CG 3.23Å; L334-L337 WeakPolarHBondContact O-CG 3.37Å; L334-L337 PolarHBondContact O-N 3.08Å; L334-L337 VanDerWaalsContact O-N 3.13Å; L334-M343 HydrophobicContact CB-SD 3.76Å; L334-M343 HydrophobicContact CD1-SD 4.33Å; L334-M343 HydrophobicContact CD2-SD 4.4Å; L334-M343 HydrophobicContact CG-SD 4.39Å; L334-V345 HydrophobicContact CD1-CG1 3.35Å
335	S	73	Confident	81.8	Confident	86 Å²	86	63.1 Å²	63.1	60%	0.601	34%	0.335	S	S	*	.	H	α-helix	trans	-62.5	-27.3	175.5	70.6	0	0	0	0	113	K331 Q332 L337	K331-S335 VanDerWaalsContact O-CB 3.31Å; K331-S335 WeakPolarHBondContact O-CB 3.21Å; K331-S335 PolarHBondContact O-N 3.17Å; K331-S335 PolarHBondContact O-OG 3.31Å; Q332-S335 WeakPolarHBondContact CA-OG 3.07Å; Q332-S335 PolarHBondContact O-N 3.04Å; Q332-S335 PolarHBondContact O-OG 3.23Å; S335-L337 PolarHBondContact O-N 2.7Å
336	S	75.6	Confident	81.8	Confident	78 Å²	78	66.5 Å²	66.5	55%	0.545	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14	178.2	81.1	0	0	0	0	113.9	Q332 T333 L334 K338	Q332-S336 PolarHBondContact O-N 3.3Å; Q332-S336 VanDerWaalsContact O-N 3.16Å; T333-S336 WeakPolarHBondContact O-CB 3.46Å; T333-S336 PolarHBondContact O-N 2.87Å; T333-S336 PolarHBondContact O-OG 3.22Å; L334-S336 PolarHBondContact O-N 3.5Å; S336-K338 PolarHBondContact O-N 2.93Å
337	L	77.6	Confident	81.8	Confident	13 Å²	13	63.6 Å²	63.6	7%	0.068	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.5	179	-58.9	174.3	0	0	0	112.7	L286 Y303 L334 S335 L339 M343	L286-L337 HydrophobicContact CD2-CD1 4.33Å; Y303-L337 HydrophobicContact CD1-CD2 3.52Å; Y303-L337 HydrophobicContact CE1-CB 4.14Å; Y303-L337 HydrophobicContact CE1-CD2 3.48Å; Y303-L337 VanDerWaalsContact CE1-CD2 3.48Å; Y303-L337 HydrophobicContact CE1-CG 4.39Å; Y303-L337 PolarHBondContact OH-O 2.68Å; L334-L337 HydrophobicContact CD2-CD1 3.75Å; L334-L337 VanDerWaalsContact O-CB 3.28Å; L334-L337 WeakPolarHBondContact O-CB 3.12Å; L334-L337 VanDerWaalsContact O-CG 3.23Å; L334-L337 WeakPolarHBondContact O-CG 3.37Å; L334-L337 PolarHBondContact O-N 3.08Å; L334-L337 VanDerWaalsContact O-N 3.13Å; S335-L337 PolarHBondContact O-N 2.7Å; L337-L339 HydrophobicContact CB-CD1 4.09Å; L337-L339 HydrophobicContact CB-CG 4.01Å; L337-L339 HydrophobicContact CD1-CD1 4.36Å; L337-L339 PolarHBondContact O-N 3.27Å; L337-L339 VanDerWaalsContact O-N 3.16Å; L337-M343 HydrophobicContact CD1-CE 4.45Å
338	K	81.3	Confident	81.9	Confident	192 Å²	192	66.9 Å²	66.9	84%	0.835	38%	0.376	S	S	*	.			trans	54.2	29.5	179.3	-61.4	-179.3	-176.7	-179.1	0	114.3	S336	S336-K338 PolarHBondContact O-N 2.93Å
339	L	85.6	Confident	82.6	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.079	37%	0.37	C	S	.	.			trans	-81.9	-15.8	176.3	-62	174.9	0	0	0	113	L286 Y303 A308 I311 L323 L337 C341	L286-L339 HydrophobicContact CD1-CD1 4.07Å; L286-L339 HydrophobicContact CD2-CD1 3.75Å; Y303-L339 HydrophobicContact CE2-CD2 4.19Å; A308-L339 HydrophobicContact CB-CD2 3.68Å; I311-L339 HydrophobicContact CD1-CD1 4.03Å; I311-L339 HydrophobicContact CD1-CD2 4.25Å; L323-L339 HydrophobicContact CD1-CD1 4.15Å; L337-L339 HydrophobicContact CB-CD1 4.09Å; L337-L339 HydrophobicContact CB-CG 4.01Å; L337-L339 HydrophobicContact CD1-CD1 4.36Å; L337-L339 PolarHBondContact O-N 3.27Å; L337-L339 VanDerWaalsContact O-N 3.16Å; L339-C341 VanDerWaalsContact C-N 3.29Å; L339-C341 PolarHBondContact O-N 3.05Å; L339-C341 PolarHBondContact O-SG 3.2Å; L339-C341 VanDerWaalsContact O-SG 3.35Å
340	D	86.8	Confident	83.8	Confident	134 Å²	134	67.3 Å²	67.3	72%	0.717	37%	0.367	S	S	*	.			trans	54.8	44.7	-179.1	-175.5	46.2	0	0	0	112	K315	K315-D340 VanDerWaalsContact NZ-CG 3.29Å; K315-D340 PolarHBondContact NZ-O 3.2Å; K315-D340 IonicContact NZ-OD2 2.93Å; K315-D340 PolarHBondContact NZ-OD2 3.21Å
341	C	91.3	Very high	84.9	Confident	16 Å²	16	66.8 Å²	66.8	11%	0.108	36%	0.36	C	S	.	.			trans	-111.8	144.3	178.8	-62.6	0	0	0	0	109.4	I311 V321 L323 L339 M343	I311-C341 VanDerWaalsContact CG2-SG 3.53Å; V321-C341 WeakPolarHBondContact O-CB 3.5Å; L323-C341 HydrophobicContact CD1-CB 4.15Å; L323-C341 HydrophobicContact CG-CB 4.08Å; L339-C341 VanDerWaalsContact C-N 3.29Å; L339-C341 PolarHBondContact O-N 3.05Å; L339-C341 PolarHBondContact O-SG 3.2Å; L339-C341 VanDerWaalsContact O-SG 3.35Å; C341-M343 HydrophobicContact CB-CE 4.44Å; C341-M343 VanDerWaalsContact O-CG 3.31Å; C341-M343 WeakPolarHBondContact O-CG 3.5Å; C341-M343 PolarHBondContact O-N 3.39Å
342	K	92.8	Very high	86.2	Confident	72 Å²	72	62.5 Å²	62.5	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.1	166.9	-171.8	177.9	-178	177	0	108.4	R322 L323 E360	R322-K342 CarbonylContact C-O 3.58Å; R322-K342 WeakPolarHBondContact CA-O 3.35Å; R322-K342 HydrophobicContact CG-CB 4.1Å; L323-K342 PolarHBondContact N-O 3.17Å; K342-E360 IonicContact NZ-OE1 2.76Å; K342-E360 PolarHBondContact NZ-OE1 2.94Å; K342-E360 IonicContact NZ-OE2 3.74Å; K342-E360 PolarHBondContact NZ-OE2 2.91Å
343	M	92.1	Very high	87.5	Confident	39 Å²	39	56.9 Å²	56.9	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.6	-177.5	-43.7	-166.6	-168.8	0	0	111.1	L323 L334 L337 C341	L323-M343 HydrophobicContact CB-CB 4.3Å; L323-M343 HydrophobicContact CB-CG 3.97Å; L323-M343 HydrophobicContact CB-SD 4.39Å; L323-M343 HydrophobicContact CD1-CE 3.71Å; L323-M343 HydrophobicContact CD1-CG 4.16Å; L323-M343 HydrophobicContact CD1-SD 3.8Å; L323-M343 HydrophobicContact CG-CG 4.45Å; L323-M343 VanDerWaalsContact O-CA 3.26Å; L323-M343 WeakPolarHBondContact O-CA 3.33Å; L334-M343 HydrophobicContact CB-SD 3.76Å; L334-M343 HydrophobicContact CD1-SD 4.33Å; L334-M343 HydrophobicContact CD2-SD 4.4Å; L334-M343 HydrophobicContact CG-SD 4.39Å; L337-M343 HydrophobicContact CD1-CE 4.45Å; C341-M343 HydrophobicContact CB-CE 4.44Å; C341-M343 VanDerWaalsContact O-CG 3.31Å; C341-M343 WeakPolarHBondContact O-CG 3.5Å; C341-M343 PolarHBondContact O-N 3.39Å
344	E	92	Very high	88.7	Confident	62 Å²	62	54.9 Å²	54.9	29%	0.29	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.9	167.9	-73.9	-65.7	171.4	0	0	110.9	L323 I324 S325 I347 I353 W357	L323-E344 PolarHBondContact O-N 3.15Å; I324-E344 CarbonylContact C-O 3.57Å; I324-E344 WeakPolarHBondContact CA-O 3.35Å; S325-E344 PolarHBondContact N-O 3.4Å; E344-I347 HydrophobicContact CB-CG2 4.23Å; E344-I353 HydrophobicContact CB-CG2 4.4Å; E344-W357 HydrophobicContact CB-CH2 4.22Å; E344-W357 HydrophobicContact CB-CZ2 3.82Å; E344-W357 HydrophobicContact CG-CH2 4.41Å; E344-W357 HydrophobicContact CG-CZ2 3.55Å
345	V	91.4	Very high	89.8	Confident	14 Å²	14	56.1 Å²	56.1	9%	0.085	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165.2	-173.6	-65.5	0	0	0	0	111.1	I282 S325 K331 L334 I347	I282-V345 HydrophobicContact CD1-CG1 4.14Å; S325-V345 CarbonylContact O-C 3.46Å; S325-V345 VanDerWaalsContact O-CA 3.26Å; S325-V345 WeakPolarHBondContact O-CA 3.44Å; K331-V345 HydrophobicContact CG-CG2 4.29Å; L334-V345 HydrophobicContact CD1-CG1 3.35Å; V345-I347 PolarHBondContact O-N 3.31Å
346	S	90.9	Very high	91	Very high	73 Å²	73	57.3 Å²	57.3	51%	0.51	32%	0.316	S	S	.	.	S	Bend	trans	59.3	33.7	-175.8	-40.3	0	0	0	0	112.6	S325 R327 A328	S325-S346 PolarHBondContact O-N 3.13Å; S325-S346 VanDerWaalsContact O-N 3.14Å; R327-S346 PolarHBondContact O-N 3.36Å; A328-S346 VanDerWaalsContact CA-OG 3.28Å; A328-S346 WeakPolarHBondContact CA-OG 3.41Å; A328-S346 WeakPolarHBondContact CB-OG 3.38Å
347	I	91.9	Very high	92.1	Very high	22 Å²	22	53.8 Å²	53.8	11%	0.113	29%	0.291	C	S	.	.			trans	-93.7	151	-179	61.5	151	0	0	0	110.9	I324 S325 E326 E344 V345 K350 I353	I324-I347 HydrophobicContact CD1-CD1 3.27Å; I324-I347 HydrophobicContact CG1-CD1 3.27Å; I324-I347 HydrophobicContact CG1-CG1 4.17Å; S325-I347 VanDerWaalsContact O-CG1 3.25Å; S325-I347 WeakPolarHBondContact O-CG1 3.46Å; S325-I347 PolarHBondContact O-N 2.98Å; E326-I347 WeakPolarHBondContact CA-O 3.18Å; E326-I347 WeakPolarHBondContact CG-O 3.41Å; E344-I347 HydrophobicContact CB-CG2 4.23Å; V345-I347 PolarHBondContact O-N 3.31Å; I347-K350 HydrophobicContact CD1-CB 4.13Å; I347-K350 HydrophobicContact CD1-CG 3.73Å; I347-I353 HydrophobicContact CD1-CG1 4.22Å; I347-I353 HydrophobicContact CG2-CG1 4.21Å
348	S	89.3	Confident	93	Very high	118 Å²	118	55.2 Å²	55.2	83%	0.825	30%	0.295	S	S	*	.	S	Bend	trans	-109.6	-22.9	176.4	52.8	0	0	0	0	113.4
349	D	93.8	Very high	93.8	Very high	87 Å²	87	52.1 Å²	52.1	47%	0.465	28%	0.282	S	S	.	.			trans	-124.6	93.6	179	-172.6	-18.8	0	0	0	109.8	L351 A352 I353	D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 3Å; D349-L351 PolarHBondContact OD1-N 2.81Å; D349-L351 VanDerWaalsContact OD1-N 3.09Å; D349-A352 HydrophobicContact CB-CB 4.06Å; D349-A352 VanDerWaalsContact CG-CB 3.48Å; D349-A352 PolarHBondContact OD1-N 3.18Å; D349-I353 WeakPolarHBondContact O-CG1 3.45Å
350	K	95.6	Very high	94.3	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.022	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-38.3	178.2	-54.4	-158.9	-179	171.3	0	111.6	N281 I324 E326 I347 A352 I353 V354 Y370 S376 D377	N281-K350 PolarHBondContact OD1-NZ 3.29Å; I324-K350 HydrophobicContact CD1-CB 4.05Å; I324-K350 HydrophobicContact CD1-CG 4.39Å; E326-K350 VanDerWaalsContact CG-CE 3.44Å; E326-K350 HydrophobicContact CG-CG 4.45Å; E326-K350 WeakPolarHBondContact OE2-CE 3.39Å; E326-K350 IonicContact OE2-NZ 2.81Å; I347-K350 HydrophobicContact CD1-CB 4.13Å; I347-K350 HydrophobicContact CD1-CG 3.73Å; K350-A352 PolarHBondContact O-N 3.4Å; K350-I353 PolarHBondContact O-N 3.03Å; K350-V354 VanDerWaalsContact O-CG2 3.24Å; K350-V354 WeakPolarHBondContact O-CG2 3.24Å; K350-V354 PolarHBondContact O-N 2.86Å; K350-Y370 VanDerWaalsContact CD-OH 3.3Å; K350-Y370 WeakPolarHBondContact CD-OH 3.49Å; K350-S376 PolarHBondContact NZ-OG 2.93Å; K350-D377 WeakPolarHBondContact CD-OD1 3.11Å; K350-D377 IonicContact NZ-OD1 2.75Å; K350-D377 PolarHBondContact NZ-OD1 3.23Å; K350-D377 IonicContact NZ-OD2 2.91Å
351	L	96.3	Very high	94.8	Very high	38 Å²	38	53.2 Å²	53.2	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-41.7	-175.4	-179.4	65.2	0	0	0	111.5	D349 I353 V354 D355 W365 E379 C380	D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 3Å; D349-L351 PolarHBondContact OD1-N 2.81Å; D349-L351 VanDerWaalsContact OD1-N 3.09Å; L351-I353 PolarHBondContact O-N 3.13Å; L351-V354 PolarHBondContact O-N 3.08Å; L351-D355 WeakPolarHBondContact O-CB 3.49Å; L351-D355 PolarHBondContact O-N 3.19Å; L351-W365 HydrophobicContact CD1-CH2 3.82Å; L351-W365 HydrophobicContact CD1-CZ2 4.4Å; L351-W365 HydrophobicContact CD1-CZ3 4.49Å; L351-E379 HydrophobicContact CD2-CB 4.3Å; L351-C380 VanDerWaalsContact CA-SG 3.54Å
352	A	96.8	Very high	95	Very high	49 Å²	49	55.6 Å²	55.6	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-45.5	176.2	0	0	0	0	0	111.9	D349 K350 D355 E356	D349-A352 HydrophobicContact CB-CB 4.06Å; D349-A352 VanDerWaalsContact CG-CB 3.48Å; D349-A352 PolarHBondContact OD1-N 3.18Å; K350-A352 PolarHBondContact O-N 3.4Å; A352-D355 PolarHBondContact O-N 3.01Å; A352-E356 WeakPolarHBondContact O-CB 3.47Å; A352-E356 PolarHBondContact O-N 2.77Å
353	I	97.3	Very high	95.2	Very high	34 Å²	34	52.7 Å²	52.7	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-43.4	178.9	-61.1	-61.4	0	0	0	111.4	I324 E344 I347 D349 K350 L351 D355 E356 W357	I324-I353 HydrophobicContact CD1-CB 4.11Å; I324-I353 HydrophobicContact CD1-CG2 3.96Å; E344-I353 HydrophobicContact CB-CG2 4.4Å; I347-I353 HydrophobicContact CD1-CG1 4.22Å; I347-I353 HydrophobicContact CG2-CG1 4.21Å; D349-I353 WeakPolarHBondContact O-CG1 3.45Å; K350-I353 PolarHBondContact O-N 3.03Å; L351-I353 PolarHBondContact O-N 3.13Å; I353-D355 VanDerWaalsContact C-N 3.34Å; I353-D355 PolarHBondContact O-N 2.93Å; I353-E356 WeakPolarHBondContact O-CB 3.29Å; I353-E356 PolarHBondContact O-N 2.99Å; I353-W357 HydrophobicContact CG2-CD2 3.98Å; I353-W357 HydrophobicContact CG2-CE3 4.26Å; I353-W357 HydrophobicContact CG2-CH2 3.91Å; I353-W357 HydrophobicContact CG2-CZ2 3.62Å; I353-W357 HydrophobicContact CG2-CZ3 4.21Å; I353-W357 PolarHBondContact O-N 2.9Å
354	V	97.6	Very high	95.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-41.1	176.9	177.7	0	0	0	0	111	V279 I324 K350 L351 E356 W357 R358 W365 V368 Y370	V279-V354 HydrophobicContact CG1-CG2 4.08Å; V279-V354 HydrophobicContact CG2-CG1 4.34Å; V279-V354 HydrophobicContact CG2-CG2 4.38Å; I324-V354 HydrophobicContact CD1-CG2 4.28Å; K350-V354 VanDerWaalsContact O-CG2 3.24Å; K350-V354 WeakPolarHBondContact O-CG2 3.24Å; K350-V354 PolarHBondContact O-N 2.86Å; L351-V354 PolarHBondContact O-N 3.08Å; V354-E356 VanDerWaalsContact C-N 3.35Å; V354-W357 PolarHBondContact O-N 2.66Å; V354-R358 VanDerWaalsContact O-CB 3.25Å; V354-R358 WeakPolarHBondContact O-CB 3.06Å; V354-R358 PolarHBondContact O-N 2.82Å; V354-W365 HydrophobicContact CB-CH2 4.5Å; V354-W365 HydrophobicContact CG1-CH2 4.01Å; V354-W365 HydrophobicContact CG1-CZ3 3.68Å; V354-V368 HydrophobicContact CG1-CG1 4.41Å; V354-Y370 HydrophobicContact CG2-CD2 4.08Å; V354-Y370 HydrophobicContact CG2-CE2 3.69Å
355	D	97.6	Very high	95.4	Very high	32 Å²	32	51.7 Å²	51.7	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-36.4	177	-171.1	49.7	0	0	0	112.1	L351 A352 I353 R358 K359 W365	L351-D355 WeakPolarHBondContact O-CB 3.49Å; L351-D355 PolarHBondContact O-N 3.19Å; A352-D355 PolarHBondContact O-N 3.01Å; I353-D355 VanDerWaalsContact C-N 3.34Å; I353-D355 PolarHBondContact O-N 2.93Å; D355-R358 IonicContact OD1-CZ 3.65Å; D355-R358 VanDerWaalsContact OD1-CZ 3.23Å; D355-R358 IonicContact OD1-NE 3.58Å; D355-R358 PolarHBondContact OD1-NE 2.9Å; D355-R358 IonicContact OD1-NH2 2.71Å; D355-R358 PolarHBondContact OD1-NH2 3Å; D355-K359 WeakPolarHBondContact O-CB 3.49Å; D355-K359 WeakPolarHBondContact O-CD 3.2Å; D355-K359 VanDerWaalsContact O-CG 3.23Å; D355-K359 WeakPolarHBondContact O-CG 3.17Å; D355-K359 PolarHBondContact O-N 3.06Å; D355-K359 WeakPolarHBondContact OD2-CE 3.18Å; D355-K359 IonicContact OD2-NZ 2.65Å; D355-K359 PolarHBondContact OD2-NZ 3.04Å; D355-W365 HydrophobicContact CB-CH2 3.98Å; D355-W365 HydrophobicContact CB-CZ2 3.78Å; D355-W365 VanDerWaalsContact OD1-CZ2 3.27Å; D355-W365 WeakPolarHBondContact OD1-CZ2 3.35Å
356	E	97.8	Very high	95.4	Very high	111 Å²	111	55.6 Å²	55.6	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-52.9	172	-174.8	-172.6	158.7	0	0	111	A352 I353 V354 R358 K359 E360	A352-E356 WeakPolarHBondContact O-CB 3.47Å; A352-E356 PolarHBondContact O-N 2.77Å; I353-E356 WeakPolarHBondContact O-CB 3.29Å; I353-E356 PolarHBondContact O-N 2.99Å; V354-E356 VanDerWaalsContact C-N 3.35Å; E356-R358 VanDerWaalsContact C-N 3.31Å; E356-R358 PolarHBondContact O-N 2.96Å; E356-K359 WeakPolarHBondContact O-CB 3.29Å; E356-K359 PolarHBondContact O-N 3.11Å; E356-K359 VanDerWaalsContact O-N 3.11Å; E356-E360 WeakPolarHBondContact O-CB 3.44Å; E356-E360 PolarHBondContact O-N 3.01Å
357	W	97.9	Very high	95.5	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-40	178.6	-69.8	-10.7	0	0	0	112.9	L277 V279 R322 L323 I324 E344 I353 V354 K359 E360 M361	L277-W357 HydrophobicContact CD2-CB 4.39Å; V279-W357 HydrophobicContact CG1-CE3 4.4Å; V279-W357 HydrophobicContact CG1-CZ3 3.82Å; V279-W357 HydrophobicContact CG2-CE3 3.91Å; V279-W357 HydrophobicContact CG2-CZ3 4.13Å; R322-W357 HydrophobicContact CB-CD2 4.39Å; R322-W357 HydrophobicContact CB-CE3 3.76Å; R322-W357 HydrophobicContact CB-CH2 3.95Å; R322-W357 HydrophobicContact CB-CZ3 3.53Å; R322-W357 HydrophobicContact CG-CE3 4.33Å; R322-W357 VanDerWaalsContact NH1-CB 3.28Å; L323-W357 WeakPolarHBondContact O-CH2 3.47Å; I324-W357 HydrophobicContact CB-CH2 4.24Å; I324-W357 HydrophobicContact CB-CZ3 4.37Å; I324-W357 HydrophobicContact CD1-CH2 4.44Å; I324-W357 HydrophobicContact CD1-CZ3 4.37Å; I324-W357 HydrophobicContact CG1-CH2 4.3Å; E344-W357 HydrophobicContact CB-CH2 4.22Å; E344-W357 HydrophobicContact CB-CZ2 3.82Å; E344-W357 HydrophobicContact CG-CH2 4.41Å; E344-W357 HydrophobicContact CG-CZ2 3.55Å; I353-W357 HydrophobicContact CG2-CD2 3.98Å; I353-W357 HydrophobicContact CG2-CE3 4.26Å; I353-W357 HydrophobicContact CG2-CH2 3.91Å; I353-W357 HydrophobicContact CG2-CZ2 3.62Å; I353-W357 HydrophobicContact CG2-CZ3 4.21Å; I353-W357 PolarHBondContact O-N 2.9Å; V354-W357 PolarHBondContact O-N 2.66Å; W357-K359 VanDerWaalsContact C-N 3.35Å; W357-E360 WeakPolarHBondContact O-CB 3.3Å; W357-E360 PolarHBondContact O-N 3.47Å; W357-M361 WeakPolarHBondContact O-CG 3.43Å; W357-M361 PolarHBondContact O-N 2.77Å; W357-M361 VanDerWaalsContact O-N 3.11Å
358	R	97.3	Very high	95.7	Very high	43 Å²	43	52.1 Å²	52.1	16%	0.162	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-46.6	173.6	-179.9	-161.6	68.3	79.6	-4.9	110.9	V354 D355 E356 M361 G362 L363 V368	V354-R358 VanDerWaalsContact O-CB 3.25Å; V354-R358 WeakPolarHBondContact O-CB 3.06Å; V354-R358 PolarHBondContact O-N 2.82Å; D355-R358 IonicContact OD1-CZ 3.65Å; D355-R358 VanDerWaalsContact OD1-CZ 3.23Å; D355-R358 IonicContact OD1-NE 3.58Å; D355-R358 PolarHBondContact OD1-NE 2.9Å; D355-R358 IonicContact OD1-NH2 2.71Å; D355-R358 PolarHBondContact OD1-NH2 3Å; E356-R358 VanDerWaalsContact C-N 3.31Å; E356-R358 PolarHBondContact O-N 2.96Å; R358-M361 PolarHBondContact O-N 2.8Å; R358-G362 PolarHBondContact O-N 3.2Å; R358-L363 HydrophobicContact CG-CB 3.92Å; R358-L363 WeakPolarHBondContact CG-O 3.19Å; R358-L363 PolarHBondContact NH1-O 3.19Å; R358-L363 PolarHBondContact O-N 3.26Å; R358-V368 HydrophobicContact CB-CG2 4.31Å; R358-V368 HydrophobicContact CG-CG2 3.93Å
359	K	97.3	Very high	96.1	Very high	128 Å²	128	46.5 Å²	46.5	56%	0.557	25%	0.247	S	C	*	.	H	α-helix	trans	-66.7	-43.3	178.6	-75.7	166.8	173.1	163.2	0	112.1	D355 E356 W357 M361 G362	D355-K359 WeakPolarHBondContact O-CB 3.49Å; D355-K359 WeakPolarHBondContact O-CD 3.2Å; D355-K359 VanDerWaalsContact O-CG 3.23Å; D355-K359 WeakPolarHBondContact O-CG 3.17Å; D355-K359 PolarHBondContact O-N 3.06Å; D355-K359 WeakPolarHBondContact OD2-CE 3.18Å; D355-K359 IonicContact OD2-NZ 2.65Å; D355-K359 PolarHBondContact OD2-NZ 3.04Å; E356-K359 WeakPolarHBondContact O-CB 3.29Å; E356-K359 PolarHBondContact O-N 3.11Å; E356-K359 VanDerWaalsContact O-N 3.11Å; W357-K359 VanDerWaalsContact C-N 3.35Å; K359-M361 PolarHBondContact O-N 3.06Å; K359-G362 PolarHBondContact O-N 3.28Å
360	E	97.2	Very high	96.3	Very high	106 Å²	106	42.4 Å²	42.4	50%	0.495	23%	0.225	S	C	.	.	H	α-helix	trans	-52.8	-41	174.9	-177.7	-165	147.3	0	0	111	R322 K342 E356 W357	R322-E360 IonicContact CZ-OE1 2.68Å; R322-E360 IonicContact CZ-OE2 3.9Å; R322-E360 IonicContact NH1-OE1 2.84Å; R322-E360 IonicContact NH1-OE2 3.66Å; R322-E360 PolarHBondContact NH1-OE2 3.05Å; R322-E360 IonicContact NH2-OE1 2.7Å; R322-E360 PolarHBondContact NH2-OE1 2.88Å; R322-E360 IonicContact NH2-OE2 2.72Å; K342-E360 IonicContact NZ-OE1 2.76Å; K342-E360 PolarHBondContact NZ-OE1 2.94Å; K342-E360 IonicContact NZ-OE2 3.74Å; K342-E360 PolarHBondContact NZ-OE2 2.91Å; E356-E360 WeakPolarHBondContact O-CB 3.44Å; E356-E360 PolarHBondContact O-N 3.01Å; W357-E360 WeakPolarHBondContact O-CB 3.3Å; W357-E360 PolarHBondContact O-N 3.47Å
361	M	96.6	Very high	96.5	Very high	65 Å²	65	42.1 Å²	42.1	32%	0.32	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.8	-179.8	-64.3	179.6	70.4	0	0	114.1	L277 E320 W357 R358 K359 L363	L277-M361 HydrophobicContact CB-CE 4.44Å; L277-M361 HydrophobicContact CB-SD 4.29Å; L277-M361 HydrophobicContact CD1-SD 4.07Å; L277-M361 HydrophobicContact CD2-SD 4.07Å; L277-M361 HydrophobicContact CG-SD 4.37Å; E320-M361 HydrophobicContact CB-CE 3.62Å; E320-M361 HydrophobicContact CB-SD 4.34Å; E320-M361 HydrophobicContact CG-CE 4.1Å; E320-M361 HydrophobicContact CG-SD 4.27Å; W357-M361 WeakPolarHBondContact O-CG 3.43Å; W357-M361 PolarHBondContact O-N 2.77Å; W357-M361 VanDerWaalsContact O-N 3.11Å; R358-M361 PolarHBondContact O-N 2.8Å; K359-M361 PolarHBondContact O-N 3.06Å; M361-L363 HydrophobicContact CB-CD1 3.82Å; M361-L363 HydrophobicContact CB-CG 3.66Å; M361-L363 HydrophobicContact CE-CD1 4.01Å; M361-L363 PolarHBondContact O-N 3.24Å; M361-L363 HydrophobicContact SD-CD1 4.09Å
362	G	96.2	Very high	96.5	Very high	67 Å²	67	40.3 Å²	40.3	69%	0.691	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	25	-177.7	0	0	0	0	0	114.4	R358 K359	R358-G362 PolarHBondContact O-N 3.2Å; K359-G362 PolarHBondContact O-N 3.28Å
363	L	96.3	Very high	96.5	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.052	20%	0.198	C	C	.	.			trans	-88.1	152.4	-175.4	-59.8	179.6	0	0	0	111.6	K276 L277 R358 M361 E367 V368	K276-L363 HydrophobicContact CB-CD1 4.12Å; K276-L363 HydrophobicContact CB-CD2 3.82Å; K276-L363 HydrophobicContact CD-CD2 3.5Å; K276-L363 VanDerWaalsContact CD-CD2 3.5Å; K276-L363 HydrophobicContact CG-CD2 4.3Å; L277-L363 HydrophobicContact CB-CD1 3.59Å; L277-L363 HydrophobicContact CD2-CD1 4.29Å; R358-L363 HydrophobicContact CG-CB 3.92Å; R358-L363 WeakPolarHBondContact CG-O 3.19Å; R358-L363 PolarHBondContact NH1-O 3.19Å; R358-L363 PolarHBondContact O-N 3.26Å; M361-L363 HydrophobicContact CB-CD1 3.82Å; M361-L363 HydrophobicContact CB-CG 3.66Å; M361-L363 HydrophobicContact CE-CD1 4.01Å; M361-L363 PolarHBondContact O-N 3.24Å; M361-L363 HydrophobicContact SD-CD1 4.09Å; L363-E367 HydrophobicContact CB-CB 4.34Å; L363-E367 HydrophobicContact CD2-CB 4.22Å; L363-V368 HydrophobicContact CB-CG2 4.43Å; L363-V368 HydrophobicContact CD1-CG2 4.41Å
364	C	94.4	Very high	96.4	Very high	38 Å²	38	41.1 Å²	41.1	26%	0.257	21%	0.209	S	C	.	.			trans	-91.7	163.6	160.3	74.7	0	0	0	0	110.8	K273 K366 E367	K273-C364 PolarHBondContact NZ-SG 2.82Å; C364-K366 PolarHBondContact O-N 3.05Å; C364-K366 VanDerWaalsContact O-N 3.13Å; C364-E367 PolarHBondContact N-OE2 3.32Å; C364-E367 PolarHBondContact O-N 3.3Å; C364-E367 PolarHBondContact SG-OE2 3.19Å
365	W	93.7	Very high	96.3	Very high	42 Å²	42	45 Å²	45	16%	0.159	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.1	-32.6	-179.7	-72.8	106.8	0	0	0	113.6	L351 V354 D355 E367 V368 R383 V384 G385	L351-W365 HydrophobicContact CD1-CH2 3.82Å; L351-W365 HydrophobicContact CD1-CZ2 4.4Å; L351-W365 HydrophobicContact CD1-CZ3 4.49Å; V354-W365 HydrophobicContact CB-CH2 4.5Å; V354-W365 HydrophobicContact CG1-CH2 4.01Å; V354-W365 HydrophobicContact CG1-CZ3 3.68Å; D355-W365 HydrophobicContact CB-CH2 3.98Å; D355-W365 HydrophobicContact CB-CZ2 3.78Å; D355-W365 VanDerWaalsContact OD1-CZ2 3.27Å; D355-W365 WeakPolarHBondContact OD1-CZ2 3.35Å; W365-E367 PolarHBondContact O-N 2.94Å; W365-V368 PolarHBondContact O-N 3.34Å; W365-V368 VanDerWaalsContact O-N 3.11Å; W365-R383 WeakPolarHBondContact CB-O 3.16Å; W365-R383 HydrophobicContact CD2-CG 3.77Å; W365-R383 HydrophobicContact CE3-CB 4.29Å; W365-R383 HydrophobicContact CE3-CG 4Å; W365-R383 HydrophobicContact CG-CG 4.15Å; W365-R383 HydrophobicContact CZ2-CG 4.34Å; W365-R383 HydrophobicContact CZ3-CB 4.48Å; W365-R383 HydrophobicContact CZ3-CG 4.37Å; W365-V384 HydrophobicContact CE3-CG1 4Å; W365-V384 HydrophobicContact CZ3-CG1 4.1Å; W365-G385 PolarHBondContact O-N 3.22Å
366	K	90.6	Very high	96.1	Very high	96 Å²	96	45.6 Å²	45.6	42%	0.417	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-64.7	-17.4	177	-64.7	-171.9	-179.6	-174.5	0	114.1	E270 K273 C364	E270-K366 IonicContact OE1-NZ 3.83Å; E270-K366 PolarHBondContact OE1-NZ 3.32Å; E270-K366 VanDerWaalsContact OE1-NZ 3.07Å; E270-K366 IonicContact OE2-NZ 3.92Å; E270-K366 PolarHBondContact OE2-NZ 3.24Å; K273-K366 HydrophobicContact CB-CB 4.28Å; K273-K366 HydrophobicContact CD-CB 4.02Å; K273-K366 HydrophobicContact CG-CB 4.22Å; C364-K366 PolarHBondContact O-N 3.05Å; C364-K366 VanDerWaalsContact O-N 3.13Å
367	E	94.4	Very high	96.1	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.107	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-97.3	0.9	178.1	-66.7	165.7	108	0	0	112.5	K273 K276 L277 L363 C364 W365	K273-E367 HydrophobicContact CB-CG 3.89Å; K273-E367 HydrophobicContact CD-CG 3.67Å; K273-E367 HydrophobicContact CG-CG 4.45Å; K276-E367 WeakPolarHBondContact CE-OE1 3.32Å; K276-E367 PolarHBondContact N-O 3.24Å; K276-E367 IonicContact NZ-OE1 3.81Å; K276-E367 PolarHBondContact NZ-OE1 3.34Å; L277-E367 PolarHBondContact N-O 2.6Å; L363-E367 HydrophobicContact CB-CB 4.34Å; L363-E367 HydrophobicContact CD2-CB 4.22Å; C364-E367 PolarHBondContact N-OE2 3.32Å; C364-E367 PolarHBondContact O-N 3.3Å; C364-E367 PolarHBondContact SG-OE2 3.19Å; W365-E367 PolarHBondContact O-N 2.94Å
368	V	96.9	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136	-179.9	-174.2	0	0	0	0	108.9	L277 V354 R358 L363 W365 V384 G385 L386	L277-V368 HydrophobicContact CD2-CG1 4.15Å; L277-V368 HydrophobicContact CD2-CG2 4.33Å; L277-V368 HydrophobicContact CG-CG1 4.29Å; L277-V368 CarbonylContact O-C 3.51Å; L277-V368 WeakPolarHBondContact O-CA 3.49Å; V354-V368 HydrophobicContact CG1-CG1 4.41Å; R358-V368 HydrophobicContact CB-CG2 4.31Å; R358-V368 HydrophobicContact CG-CG2 3.93Å; L363-V368 HydrophobicContact CB-CG2 4.43Å; L363-V368 HydrophobicContact CD1-CG2 4.41Å; W365-V368 PolarHBondContact O-N 3.34Å; W365-V368 VanDerWaalsContact O-N 3.11Å; V368-V384 HydrophobicContact CB-CG1 4.1Å; V368-V384 HydrophobicContact CG1-CG1 3.76Å; V368-V384 WeakPolarHBondContact O-CB 3.44Å; V368-G385 PolarHBondContact O-N 3.48Å; V368-L386 PolarHBondContact O-N 3.37Å
369	A	97.3	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.9	166.5	0	0	0	0	0	110.7	I275 L277 L278 V279 L386 F417 I421	I275-A369 HydrophobicContact CD1-CB 4.38Å; I275-A369 HydrophobicContact CG2-CB 3.71Å; L277-A369 PolarHBondContact O-N 3.19Å; L278-A369 WeakPolarHBondContact CA-O 3.37Å; L278-A369 HydrophobicContact CD1-CB 3.89Å; V279-A369 PolarHBondContact N-O 3.13Å; A369-L386 CarbonylContact C-O 3.55Å; A369-L386 WeakPolarHBondContact CA-O 3.18Å; A369-L386 HydrophobicContact CB-CB 4.11Å; A369-L386 HydrophobicContact CB-CD2 4.48Å; A369-F417 HydrophobicContact CB-CE1 4.29Å; A369-F417 HydrophobicContact CB-CZ 4.48Å; A369-I421 HydrophobicContact CB-CD1 4.29Å
370	Y	98.2	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.6	177.5	-163.2	-77.6	0	0	0	111.5	V279 I324 K350 V354 D377 C380 L381 L386 S387 G388	V279-Y370 HydrophobicContact CB-CD2 3.64Å; V279-Y370 HydrophobicContact CB-CE2 3.98Å; V279-Y370 HydrophobicContact CB-CG 4.49Å; V279-Y370 HydrophobicContact CG1-CD2 3.76Å; V279-Y370 HydrophobicContact CG1-CE2 3.52Å; V279-Y370 CarbonylContact O-C 3.58Å; V279-Y370 VanDerWaalsContact O-CA 3.25Å; V279-Y370 WeakPolarHBondContact O-CA 3.43Å; I324-Y370 HydrophobicContact CG2-CE2 4.44Å; K350-Y370 VanDerWaalsContact CD-OH 3.3Å; K350-Y370 WeakPolarHBondContact CD-OH 3.49Å; V354-Y370 HydrophobicContact CG2-CD2 4.08Å; V354-Y370 HydrophobicContact CG2-CE2 3.69Å; Y370-D377 HydrophobicContact CE1-CB 3.85Å; Y370-D377 WeakPolarHBondContact CE1-OD1 3.12Å; Y370-D377 PolarHBondContact OH-OD1 2.71Å; Y370-C380 HydrophobicContact CD1-CB 4.29Å; Y370-C380 HydrophobicContact CD2-CB 3.77Å; Y370-C380 HydrophobicContact CE1-CB 4.22Å; Y370-C380 HydrophobicContact CE2-CB 3.72Å; Y370-C380 HydrophobicContact CG-CB 4.07Å; Y370-L381 HydrophobicContact CD1-CD2 3.51Å; Y370-L381 HydrophobicContact CD1-CG 4.21Å; Y370-L381 HydrophobicContact CE1-CD2 4.21Å; Y370-L381 HydrophobicContact CG-CD2 4.39Å; Y370-L386 PolarHBondContact N-O 2.9Å; Y370-S387 WeakPolarHBondContact O-CA 3.47Å; Y370-G388 PolarHBondContact O-N 3.11Å
371	L	98.4	Very high	95.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.5	170.7	-173	69.8	0	0	0	109.3	V279 C280 N281 C285 G388 I414 F417	V279-L371 PolarHBondContact O-N 3.16Å; C280-L371 HydrophobicContact CB-CB 4.39Å; N281-L371 PolarHBondContact N-O 3.44Å; C285-L371 HydrophobicContact CB-CD2 4.1Å; C285-L371 HydrophobicContact CB-CG 4.2Å; L371-G388 WeakPolarHBondContact CA-O 3.43Å; L371-G388 VanDerWaalsContact CD1-C 3.46Å; L371-I414 HydrophobicContact CD2-CB 4.39Å; L371-I414 HydrophobicContact CD2-CG1 3.61Å; L371-F417 HydrophobicContact CB-CD1 4Å; L371-F417 HydrophobicContact CB-CE1 4.15Å; L371-F417 HydrophobicContact CD1-CB 4.35Å; L371-F417 HydrophobicContact CD1-CD1 4.05Å; L371-F417 HydrophobicContact CD1-CG 4.16Å; L371-F417 HydrophobicContact CG-CD1 4.42Å
372	G	97.3	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.			trans	-137.7	161.1	-176.2	0	0	0	0	0	112.5	C285 D377 G388 A389 P390	C285-G372 VanDerWaalsContact SG-C 3.58Å; G372-D377 WeakPolarHBondContact CA-OD2 3.23Å; G372-G388 PolarHBondContact N-O 3.34Å; G372-G388 VanDerWaalsContact N-O 3.07Å; G372-A389 VanDerWaalsContact O-CA 3.27Å; G372-A389 WeakPolarHBondContact O-CA 3.49Å; G372-A389 VanDerWaalsContact O-CB 3.31Å; G372-A389 WeakPolarHBondContact O-CB 3.45Å; G372-P390 WeakPolarHBondContact O-CD 3.34Å
373	N	96.8	Very high	95.3	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.07	19%	0.191	C	C	.	.			trans	-134.2	-9.3	-174	62.6	-72.3	0	0	0	114.5	N281 D283 C285 D377 P390 A393 C394	N281-N373 PolarHBondContact ND2-OD1 3.26Å; D283-N373 PolarHBondContact O-ND2 3.28Å; D283-N373 PolarHBondContact O-OD1 2.86Å; C285-N373 PolarHBondContact SG-OD1 3.14Å; N373-D377 PolarHBondContact N-OD2 3.31Å; N373-P390 HydrophobicContact CB-CG 4.42Å; N373-A393 HydrophobicContact CB-CB 3.88Å; N373-C394 PolarHBondContact O-N 3.14Å
374	E	95.2	Very high	95.2	Very high	87 Å²	87	40.1 Å²	40.1	41%	0.407	19%	0.193	S	C	.	.	S	Bend	trans	-119.2	167.8	-174.6	-80.8	-58.4	158.1	0	0	114.1	S376 D377	E374-S376 PolarHBondContact O-N 2.75Å; E374-D377 PolarHBondContact N-OD2 3.19Å; E374-D377 WeakPolarHBondContact O-CB 3.1Å; E374-D377 PolarHBondContact O-N 2.92Å
375	V	95.1	Very high	94.9	Very high	81 Å²	81	40.3 Å²	40.3	49%	0.491	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-58.4	-35	175	-178.9	0	0	0	0	111.1	D377 E378 T396	V375-D377 PolarHBondContact O-N 3.24Å; V375-E378 VanDerWaalsContact O-CB 3.24Å; V375-E378 WeakPolarHBondContact O-CB 3.14Å; V375-E378 PolarHBondContact O-N 2.96Å; V375-E378 VanDerWaalsContact O-N 3.09Å; V375-T396 HydrophobicContact CG1-CG2 4.34Å; V375-T396 HydrophobicContact CG2-CG2 4.41Å
376	S	94.3	Very high	94.8	Very high	45 Å²	45	39.2 Å²	39.2	32%	0.315	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-64.9	-16	177.2	56.1	0	0	0	0	114	E326 K350 E374	E326-S376 VanDerWaalsContact CD-OG 3.25Å; E326-S376 WeakPolarHBondContact OE1-CB 3.42Å; E326-S376 PolarHBondContact OE1-OG 2.9Å; E326-S376 WeakPolarHBondContact OE2-CB 3.48Å; E326-S376 PolarHBondContact OE2-OG 2.76Å; K350-S376 PolarHBondContact NZ-OG 2.93Å; E374-S376 PolarHBondContact O-N 2.75Å
377	D	96.4	Very high	95	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-86.8	-16	175.7	-61.5	-53.9	0	0	0	112.8	K350 Y370 G372 N373 E374 V375 E379 C380 L381	K350-D377 WeakPolarHBondContact CD-OD1 3.11Å; K350-D377 IonicContact NZ-OD1 2.75Å; K350-D377 PolarHBondContact NZ-OD1 3.23Å; K350-D377 IonicContact NZ-OD2 2.91Å; Y370-D377 HydrophobicContact CE1-CB 3.85Å; Y370-D377 WeakPolarHBondContact CE1-OD1 3.12Å; Y370-D377 PolarHBondContact OH-OD1 2.71Å; G372-D377 WeakPolarHBondContact CA-OD2 3.23Å; N373-D377 PolarHBondContact N-OD2 3.31Å; E374-D377 PolarHBondContact N-OD2 3.19Å; E374-D377 WeakPolarHBondContact O-CB 3.1Å; E374-D377 PolarHBondContact O-N 2.92Å; V375-D377 PolarHBondContact O-N 3.24Å; D377-E379 PolarHBondContact O-N 3.28Å; D377-C380 WeakPolarHBondContact O-CA 3.16Å; D377-C380 WeakPolarHBondContact O-CB 3.45Å; D377-C380 PolarHBondContact O-N 2.82Å; D377-L381 HydrophobicContact CB-CD1 3.75Å; D377-L381 HydrophobicContact CB-CG 4.03Å; D377-L381 VanDerWaalsContact O-CG 3.3Å; D377-L381 WeakPolarHBondContact O-CG 3.45Å; D377-L381 PolarHBondContact O-N 3.41Å
378	E	94.8	Very high	95.1	Very high	51 Å²	51	34.2 Å²	34.2	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-52.1	-47.7	-166.9	-177.8	177.6	-172.6	0	0	113.5	V375 C380 L381 K382 T396 A400	V375-E378 VanDerWaalsContact O-CB 3.24Å; V375-E378 WeakPolarHBondContact O-CB 3.14Å; V375-E378 PolarHBondContact O-N 2.96Å; V375-E378 VanDerWaalsContact O-N 3.09Å; E378-C380 VanDerWaalsContact C-N 3.32Å; E378-C380 PolarHBondContact O-N 3.28Å; E378-L381 PolarHBondContact O-N 2.75Å; E378-K382 VanDerWaalsContact CD-NZ 3.31Å; E378-K382 HydrophobicContact CG-CD 4.15Å; E378-K382 WeakPolarHBondContact O-CG 3.46Å; E378-K382 PolarHBondContact O-N 3.43Å; E378-K382 WeakPolarHBondContact OE1-CE 3.45Å; E378-K382 IonicContact OE1-NZ 3.07Å; E378-K382 PolarHBondContact OE1-NZ 3.43Å; E378-T396 HydrophobicContact CB-CG2 4.32Å; E378-T396 VanDerWaalsContact CD-CG2 3.41Å; E378-T396 HydrophobicContact CG-CG2 4.13Å; E378-T396 WeakPolarHBondContact OE2-CG2 3.09Å; E378-A400 HydrophobicContact CG-CB 4.08Å
379	E	95	Very high	95.1	Very high	105 Å²	105	34.2 Å²	34.2	49%	0.491	18%	0.177	S	C	.	.	H	α-helix	trans	-67.4	-31.8	-179.7	-71.4	-60.3	126.9	0	0	112.7	L351 D377 K382 R383	L351-E379 HydrophobicContact CD2-CB 4.3Å; D377-E379 PolarHBondContact O-N 3.28Å; E379-K382 IonicContact OE1-NZ 3.2Å; E379-R383 WeakPolarHBondContact O-CB 3.29Å; E379-R383 PolarHBondContact O-N 2.81Å
380	C	96.4	Very high	95.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-48	171.9	-66.7	0	0	0	0	110.4	L351 Y370 D377 E378 K382 R383 V384	L351-C380 VanDerWaalsContact CA-SG 3.54Å; Y370-C380 HydrophobicContact CD1-CB 4.29Å; Y370-C380 HydrophobicContact CD2-CB 3.77Å; Y370-C380 HydrophobicContact CE1-CB 4.22Å; Y370-C380 HydrophobicContact CE2-CB 3.72Å; Y370-C380 HydrophobicContact CG-CB 4.07Å; D377-C380 WeakPolarHBondContact O-CA 3.16Å; D377-C380 WeakPolarHBondContact O-CB 3.45Å; D377-C380 PolarHBondContact O-N 2.82Å; E378-C380 VanDerWaalsContact C-N 3.32Å; E378-C380 PolarHBondContact O-N 3.28Å; C380-K382 VanDerWaalsContact C-N 3.29Å; C380-K382 PolarHBondContact O-N 2.83Å; C380-R383 PolarHBondContact O-N 3.46Å; C380-V384 WeakPolarHBondContact O-CG1 3.18Å; C380-V384 PolarHBondContact O-N 3.22Å
381	L	95.8	Very high	95	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-39.4	-178.1	-63.3	167.4	0	0	0	112	Y370 D377 E378 R383 S387 G388 A397 A400 V401	Y370-L381 HydrophobicContact CD1-CD2 3.51Å; Y370-L381 HydrophobicContact CD1-CG 4.21Å; Y370-L381 HydrophobicContact CE1-CD2 4.21Å; Y370-L381 HydrophobicContact CG-CD2 4.39Å; D377-L381 HydrophobicContact CB-CD1 3.75Å; D377-L381 HydrophobicContact CB-CG 4.03Å; D377-L381 VanDerWaalsContact O-CG 3.3Å; D377-L381 WeakPolarHBondContact O-CG 3.45Å; D377-L381 PolarHBondContact O-N 3.41Å; E378-L381 PolarHBondContact O-N 2.75Å; L381-R383 VanDerWaalsContact C-N 3.32Å; L381-R383 PolarHBondContact O-N 2.99Å; L381-S387 WeakPolarHBondContact O-CB 3.43Å; L381-S387 PolarHBondContact O-OG 2.96Å; L381-G388 WeakPolarHBondContact CD2-O 3.05Å; L381-A397 HydrophobicContact CD1-CB 3.95Å; L381-A400 HydrophobicContact CB-CB 3.97Å; L381-A400 HydrophobicContact CD1-CB 4.23Å; L381-V401 HydrophobicContact CB-CG1 4.05Å; L381-V401 HydrophobicContact CD1-CG1 3.86Å; L381-V401 HydrophobicContact CD2-CG1 3.58Å; L381-V401 HydrophobicContact CG-CG1 4.01Å
382	K	90.1	Very high	94.9	Very high	114 Å²	114	39.7 Å²	39.7	50%	0.496	21%	0.212	S	C	.	.	H	α-helix	trans	-70.1	-24.7	176.9	-73.7	173.9	-176.8	168	0	114.1	E378 E379 C380 A400	E378-K382 VanDerWaalsContact CD-NZ 3.31Å; E378-K382 HydrophobicContact CG-CD 4.15Å; E378-K382 WeakPolarHBondContact O-CG 3.46Å; E378-K382 PolarHBondContact O-N 3.43Å; E378-K382 WeakPolarHBondContact OE1-CE 3.45Å; E378-K382 IonicContact OE1-NZ 3.07Å; E378-K382 PolarHBondContact OE1-NZ 3.43Å; E379-K382 IonicContact OE1-NZ 3.2Å; C380-K382 VanDerWaalsContact C-N 3.29Å; C380-K382 PolarHBondContact O-N 2.83Å; K382-A400 HydrophobicContact CG-CB 4.28Å
383	R	93.4	Very high	94.8	Very high	129 Å²	129	40.1 Å²	40.1	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-97.7	-29.9	-167.8	-158.9	176	-171.8	123.5	-1.1	113.8	W365 E379 C380 L381	W365-R383 WeakPolarHBondContact CB-O 3.16Å; W365-R383 HydrophobicContact CD2-CG 3.77Å; W365-R383 HydrophobicContact CE3-CB 4.29Å; W365-R383 HydrophobicContact CE3-CG 4Å; W365-R383 HydrophobicContact CG-CG 4.15Å; W365-R383 HydrophobicContact CZ2-CG 4.34Å; W365-R383 HydrophobicContact CZ3-CB 4.48Å; W365-R383 HydrophobicContact CZ3-CG 4.37Å; E379-R383 WeakPolarHBondContact O-CB 3.29Å; E379-R383 PolarHBondContact O-N 2.81Å; C380-R383 PolarHBondContact O-N 3.46Å; L381-R383 VanDerWaalsContact C-N 3.32Å; L381-R383 PolarHBondContact O-N 2.99Å
384	V	94.6	Very high	94.8	Very high	16 Å²	16	41 Å²	41	10%	0.097	22%	0.222	C	C	.	.	S	Bend	trans	-72.1	160.8	-177.3	-67.6	0	0	0	0	113.2	W365 V368 C380 L386	W365-V384 HydrophobicContact CE3-CG1 4Å; W365-V384 HydrophobicContact CZ3-CG1 4.1Å; V368-V384 HydrophobicContact CB-CG1 4.1Å; V368-V384 HydrophobicContact CG1-CG1 3.76Å; V368-V384 WeakPolarHBondContact O-CB 3.44Å; C380-V384 WeakPolarHBondContact O-CG1 3.18Å; C380-V384 PolarHBondContact O-N 3.22Å; V384-L386 VanDerWaalsContact C-N 3.31Å; V384-L386 WeakPolarHBondContact CG2-O 3.46Å
385	G	89	Confident	94.5	Very high	41 Å²	41	40.4 Å²	40.4	42%	0.423	23%	0.228	S	C	.	.	S	Bend	trans	-70.2	-28.5	178.5	0	0	0	0	0	113.7	W365 V368	W365-G385 PolarHBondContact O-N 3.22Å; V368-G385 PolarHBondContact O-N 3.48Å
386	L	91.3	Very high	94.4	Very high	20 Å²	20	38.6 Å²	38.6	11%	0.105	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	120.6	175.3	-177	65.5	0	0	0	110	I275 V368 A369 Y370 V384 F417 I421 L424	I275-L386 HydrophobicContact CD1-CB 4Å; I275-L386 HydrophobicContact CG1-CD2 4.37Å; V368-L386 PolarHBondContact O-N 3.37Å; A369-L386 CarbonylContact C-O 3.55Å; A369-L386 WeakPolarHBondContact CA-O 3.18Å; A369-L386 HydrophobicContact CB-CB 4.11Å; A369-L386 HydrophobicContact CB-CD2 4.48Å; Y370-L386 PolarHBondContact N-O 2.9Å; V384-L386 VanDerWaalsContact C-N 3.31Å; V384-L386 WeakPolarHBondContact CG2-O 3.46Å; L386-F417 HydrophobicContact CD2-CE2 4.24Å; L386-F417 HydrophobicContact CD2-CZ 4.15Å; L386-F417 HydrophobicContact CG-CE2 4.09Å; L386-F417 HydrophobicContact CG-CZ 3.91Å; L386-I421 HydrophobicContact CD2-CB 4.46Å; L386-I421 HydrophobicContact CD2-CG1 3.51Å; L386-L424 HydrophobicContact CD1-CD1 3.69Å; L386-L424 HydrophobicContact CD2-CD1 3.91Å; L386-L424 HydrophobicContact CG-CD1 4.46Å
387	S	94.9	Very high	94.3	Very high	13 Å²	13	36.4 Å²	36.4	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.7	-178.9	54.7	0	0	0	0	111	Y370 L381 V401 G402 Y403	Y370-S387 WeakPolarHBondContact O-CA 3.47Å; L381-S387 WeakPolarHBondContact O-CB 3.43Å; L381-S387 PolarHBondContact O-OG 2.96Å; S387-V401 WeakPolarHBondContact OG-CA 3.48Å; S387-G402 CarbonylContact O-C 3.6Å; S387-G402 PolarHBondContact O-N 3.05Å; S387-G402 PolarHBondContact OG-N 3.04Å; S387-Y403 PolarHBondContact O-N 2.92Å
388	G	96	Very high	94	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.7	-179.3	0	0	0	0	0	111.5	Y370 L371 G372 L381 Y403	Y370-G388 PolarHBondContact O-N 3.11Å; L371-G388 WeakPolarHBondContact CA-O 3.43Å; L371-G388 VanDerWaalsContact CD1-C 3.46Å; G372-G388 PolarHBondContact N-O 3.34Å; G372-G388 VanDerWaalsContact N-O 3.07Å; L381-G388 WeakPolarHBondContact CD2-O 3.05Å; G388-Y403 CarbonylContact C-O 3.46Å; G388-Y403 WeakPolarHBondContact CA-O 3.47Å
389	A	97.3	Very high	93.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-135.7	144.7	166.9	0	0	0	0	0	111.2	G372 A393 V401 Y403 I404 C405	G372-A389 VanDerWaalsContact O-CA 3.27Å; G372-A389 WeakPolarHBondContact O-CA 3.49Å; G372-A389 VanDerWaalsContact O-CB 3.31Å; G372-A389 WeakPolarHBondContact O-CB 3.45Å; A389-A393 HydrophobicContact CB-CB 3.79Å; A389-V401 HydrophobicContact CB-CB 4.43Å; A389-V401 HydrophobicContact CB-CG1 3.96Å; A389-V401 HydrophobicContact CB-CG2 3.77Å; A389-Y403 PolarHBondContact N-O 3.07Å; A389-I404 WeakPolarHBondContact O-CA 3.38Å; A389-C405 PolarHBondContact O-N 2.79Å; A389-C405 PolarHBondContact O-SG 3.33Å; A389-C405 VanDerWaalsContact O-SG 3.37Å
390	P	97.6	Very high	93	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.			trans	-60.8	158.3	167.1	-24.3	35.5	0	0	0	113.2	G284 C285 G372 N373 D392 A393 A413	G284-P390 WeakPolarHBondContact O-CG 3.44Å; C285-P390 HydrophobicContact CB-CG 4.16Å; C285-P390 VanDerWaalsContact SG-CG 3.52Å; G372-P390 WeakPolarHBondContact O-CD 3.34Å; N373-P390 HydrophobicContact CB-CG 4.42Å; P390-D392 WeakPolarHBondContact CB-OD1 3.23Å; P390-D392 PolarHBondContact O-N 3.28Å; P390-A393 WeakPolarHBondContact O-CB 3.44Å; P390-A393 PolarHBondContact O-N 2.88Å; P390-A413 HydrophobicContact CB-CB 4.09Å; P390-A413 HydrophobicContact CG-CB 4.1Å
391	A	95.3	Very high	92.6	Very high	35 Å²	35	41.1 Å²	41.1	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.8	-177.8	0	0	0	0	0	114	Q398 C405 K406 C407	A391-Q398 PolarHBondContact O-NE2 3.5Å; A391-C405 WeakPolarHBondContact CA-O 3.21Å; A391-C405 VanDerWaalsContact CB-O 3.24Å; A391-C405 WeakPolarHBondContact CB-O 3.38Å; A391-C405 PolarHBondContact N-O 2.8Å; A391-K406 WeakPolarHBondContact CB-O 3.37Å; A391-C407 PolarHBondContact N-O 3.13Å
392	D	95.9	Very high	92	Very high	80 Å²	80	42.1 Å²	42.1	43%	0.428	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	10.7	179.7	58.2	-18.7	0	0	0	113.7	P390 N408 G409	P390-D392 WeakPolarHBondContact CB-OD1 3.23Å; P390-D392 PolarHBondContact O-N 3.28Å; D392-N408 HydrophobicContact CB-CB 4.37Å; D392-N408 VanDerWaalsContact CG-CG 3.5Å; D392-N408 VanDerWaalsContact OD1-CA 3.26Å; D392-N408 WeakPolarHBondContact OD1-CA 3.24Å; D392-N408 WeakPolarHBondContact OD1-CB 3.28Å; D392-N408 WeakPolarHBondContact OD2-CB 3.29Å; D392-N408 PolarHBondContact OD2-ND2 2.67Å; D392-G409 PolarHBondContact OD1-N 2.88Å
393	A	96.6	Very high	91.9	Very high	9 Å²	9	38 Å²	38	7%	0.074	22%	0.216	C	C	.	.	S	Bend	trans	-60.4	154.9	172.1	0	0	0	0	0	112.6	N373 A389 P390 A397 Q398	N373-A393 HydrophobicContact CB-CB 3.88Å; A389-A393 HydrophobicContact CB-CB 3.79Å; P390-A393 WeakPolarHBondContact O-CB 3.44Å; P390-A393 PolarHBondContact O-N 2.88Å; A393-A397 HydrophobicContact CB-CB 4.24Å; A393-Q398 HydrophobicContact CB-CG 3.98Å; A393-Q398 PolarHBondContact O-NE2 3.47Å; A393-Q398 VanDerWaalsContact O-NE2 3.14Å
394	C	95.4	Very high	91.8	Very high	32 Å²	32	35.7 Å²	35.7	22%	0.216	21%	0.212	C	C	.	.			trans	-63.6	154.1	177.5	82	0	0	0	0	111.4	N373 T396 A397 Q398	N373-C394 PolarHBondContact O-N 3.14Å; C394-T396 PolarHBondContact O-N 3.36Å; C394-T396 VanDerWaalsContact O-N 3.11Å; C394-A397 PolarHBondContact O-N 3.1Å; C394-Q398 PolarHBondContact O-N 3.35Å
395	S	90.2	Very high	91.7	Very high	75 Å²	75	35 Å²	35	52%	0.524	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-30.2	-174.3	69.5	0	0	0	0	113.8	K399	S395-K399 WeakPolarHBondContact O-CB 3.19Å; S395-K399 WeakPolarHBondContact O-CD 3.01Å; S395-K399 WeakPolarHBondContact O-CG 3.46Å; S395-K399 PolarHBondContact O-N 2.83Å; S395-K399 VanDerWaalsContact O-N 3.12Å
396	T	91.6	Very high	91.8	Very high	42 Å²	42	39.5 Å²	39.5	26%	0.258	22%	0.216	S	C	.	.	H	α-helix	trans	-66.9	-47	176	-54.5	0	0	0	0	111.2	V375 E378 C394 K399 A400	V375-T396 HydrophobicContact CG1-CG2 4.34Å; V375-T396 HydrophobicContact CG2-CG2 4.41Å; E378-T396 HydrophobicContact CB-CG2 4.32Å; E378-T396 VanDerWaalsContact CD-CG2 3.41Å; E378-T396 HydrophobicContact CG-CG2 4.13Å; E378-T396 WeakPolarHBondContact OE2-CG2 3.09Å; C394-T396 PolarHBondContact O-N 3.36Å; C394-T396 VanDerWaalsContact O-N 3.11Å; T396-K399 PolarHBondContact O-N 3.41Å; T396-A400 WeakPolarHBondContact O-CB 3.14Å; T396-A400 PolarHBondContact O-N 3.35Å
397	A	93.6	Very high	92	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-45.7	176.7	0	0	0	0	0	111.3	L381 A393 C394 K399 A400 V401	L381-A397 HydrophobicContact CD1-CB 3.95Å; A393-A397 HydrophobicContact CB-CB 4.24Å; C394-A397 PolarHBondContact O-N 3.1Å; A397-K399 VanDerWaalsContact C-N 3.27Å; A397-K399 PolarHBondContact O-N 2.91Å; A397-A400 PolarHBondContact O-N 3Å; A397-V401 WeakPolarHBondContact O-CG1 3.37Å; A397-V401 PolarHBondContact O-N 3.43Å
398	Q	88.8	Confident	92	Very high	58 Å²	58	43.6 Å²	43.6	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-35.3	177.9	-69.4	-171.2	-1.5	0	0	113.3	A391 A393 C394 A400 V401 I404	A391-Q398 PolarHBondContact O-NE2 3.5Å; A393-Q398 HydrophobicContact CB-CG 3.98Å; A393-Q398 PolarHBondContact O-NE2 3.47Å; A393-Q398 VanDerWaalsContact O-NE2 3.14Å; C394-Q398 PolarHBondContact O-N 3.35Å; Q398-A400 VanDerWaalsContact C-N 3.31Å; Q398-V401 VanDerWaalsContact O-CG2 3.31Å; Q398-V401 WeakPolarHBondContact O-CG2 3.29Å; Q398-I404 HydrophobicContact CB-CD1 3.92Å; Q398-I404 HydrophobicContact CB-CG1 4.45Å; Q398-I404 HydrophobicContact CG-CD1 4.34Å
399	K	82.3	Confident	92.1	Very high	176 Å²	176	43.6 Å²	43.6	77%	0.765	24%	0.24	S	C	*	.	H	α-helix	trans	-74.7	-21.4	176.1	-72.9	171.7	-176.6	179.6	0	113.4	S395 T396 A397	S395-K399 WeakPolarHBondContact O-CB 3.19Å; S395-K399 WeakPolarHBondContact O-CD 3.01Å; S395-K399 WeakPolarHBondContact O-CG 3.46Å; S395-K399 PolarHBondContact O-N 2.83Å; S395-K399 VanDerWaalsContact O-N 3.12Å; T396-K399 PolarHBondContact O-N 3.41Å; A397-K399 VanDerWaalsContact C-N 3.27Å; A397-K399 PolarHBondContact O-N 2.91Å
400	A	87	Confident	91.9	Very high	14 Å²	14	43.9 Å²	43.9	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-88.8	-5.9	-177.6	0	0	0	0	0	113.5	E378 L381 K382 T396 A397 Q398	E378-A400 HydrophobicContact CG-CB 4.08Å; L381-A400 HydrophobicContact CB-CB 3.97Å; L381-A400 HydrophobicContact CD1-CB 4.23Å; K382-A400 HydrophobicContact CG-CB 4.28Å; T396-A400 WeakPolarHBondContact O-CB 3.14Å; T396-A400 PolarHBondContact O-N 3.35Å; A397-A400 PolarHBondContact O-N 3Å; Q398-A400 VanDerWaalsContact C-N 3.31Å
401	V	88.9	Confident	91.9	Very high	9 Å²	9	51 Å²	51	6%	0.055	27%	0.27	C	S	.	.			trans	-108.7	148.7	-171	-64.1	0	0	0	0	114.7	L381 S387 A389 A397 Q398 Y403 I404	L381-V401 HydrophobicContact CB-CG1 4.05Å; L381-V401 HydrophobicContact CD1-CG1 3.86Å; L381-V401 HydrophobicContact CD2-CG1 3.58Å; L381-V401 HydrophobicContact CG-CG1 4.01Å; S387-V401 WeakPolarHBondContact OG-CA 3.48Å; A389-V401 HydrophobicContact CB-CB 4.43Å; A389-V401 HydrophobicContact CB-CG1 3.96Å; A389-V401 HydrophobicContact CB-CG2 3.77Å; A397-V401 WeakPolarHBondContact O-CG1 3.37Å; A397-V401 PolarHBondContact O-N 3.43Å; Q398-V401 VanDerWaalsContact O-CG2 3.31Å; Q398-V401 WeakPolarHBondContact O-CG2 3.29Å; V401-Y403 VanDerWaalsContact C-N 3.34Å; V401-Y403 WeakPolarHBondContact CG2-O 3.35Å; V401-I404 HydrophobicContact CG2-CG1 3.71Å
402	G	81.9	Confident	91.9	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	26%	0.258	C	S	.	.	S	Bend	trans	-83	-3.1	166.4	0	0	0	0	0	113.5	G68 S387	G68-G402 WeakPolarHBondContact CA-O 3.12Å; S387-G402 CarbonylContact O-C 3.6Å; S387-G402 PolarHBondContact O-N 3.05Å; S387-G402 PolarHBondContact OG-N 3.04Å
403	Y	88.1	Confident	91.9	Very high	29 Å²	29	45.8 Å²	45.8	11%	0.114	24%	0.238	C	C	.	.			trans	-149.8	122.1	175.9	-172.8	-100.2	0	0	0	110.7	S387 G388 A389 V401 C405 E416 F417 H420	S387-Y403 PolarHBondContact O-N 2.92Å; G388-Y403 CarbonylContact C-O 3.46Å; G388-Y403 WeakPolarHBondContact CA-O 3.47Å; A389-Y403 PolarHBondContact N-O 3.07Å; V401-Y403 VanDerWaalsContact C-N 3.34Å; V401-Y403 WeakPolarHBondContact CG2-O 3.35Å; Y403-C405 HydrophobicContact CE1-CB 4.3Å; Y403-E416 HydrophobicContact CE1-CG 4.38Å; Y403-E416 PolarHBondContact OH-OE1 2.75Å; Y403-F417 AromaticContact CD1-CD2 3.63Å; Y403-F417 HydrophobicContact CD1-CD2 3.63Å; Y403-F417 HydrophobicContact CD1-CE2 4.17Å; Y403-F417 HydrophobicContact CE1-CD2 4.32Å; Y403-F417 HydrophobicContact CG-CD2 4.27Å; Y403-F417 HydrophobicContact CG-CE2 4.41Å; Y403-H420 HydrophobicContact CD2-CB 4.49Å; Y403-H420 AromaticContact CD2-CD2 3.68Å; Y403-H420 AromaticContact CD2-CE1 3.51Å; Y403-H420 AromaticContact CD2-CG 3.68Å; Y403-H420 AromaticContact CD2-ND1 3.59Å; Y403-H420 AromaticContact CD2-NE2 3.58Å; Y403-H420 HydrophobicContact CE1-CB 4.27Å; Y403-H420 HydrophobicContact CE2-CB 4.21Å; Y403-H420 AromaticContact CE2-CE1 3.87Å; Y403-H420 AromaticContact CE2-CG 3.73Å; Y403-H420 AromaticContact CE2-ND1 3.51Å; Y403-H420 AromaticContact CG-CD2 3.74Å; Y403-H420 AromaticContact CG-NE2 3.95Å
404	I	91.6	Very high	92	Very high	79 Å²	79	45.4 Å²	45.4	41%	0.405	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-104.2	119.2	171.7	-57.3	172.4	0	0	0	106.6	A389 Q398 V401	A389-I404 WeakPolarHBondContact O-CA 3.38Å; Q398-I404 HydrophobicContact CB-CD1 3.92Å; Q398-I404 HydrophobicContact CB-CG1 4.45Å; Q398-I404 HydrophobicContact CG-CD1 4.34Å; V401-I404 HydrophobicContact CG2-CG1 3.71Å
405	C	92.1	Very high	92	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.02	24%	0.236	C	C	.	.			trans	-65.8	154.3	177.4	-54.3	0	0	0	0	110	A389 A391 Y403 A413 E416	A389-C405 PolarHBondContact O-N 2.79Å; A389-C405 PolarHBondContact O-SG 3.33Å; A389-C405 VanDerWaalsContact O-SG 3.37Å; A391-C405 WeakPolarHBondContact CA-O 3.21Å; A391-C405 VanDerWaalsContact CB-O 3.24Å; A391-C405 WeakPolarHBondContact CB-O 3.38Å; A391-C405 PolarHBondContact N-O 2.8Å; Y403-C405 HydrophobicContact CE1-CB 4.3Å; C405-A413 HydrophobicContact CB-CB 4.37Å; C405-E416 VanDerWaalsContact CA-OE1 3.22Å; C405-E416 WeakPolarHBondContact CA-OE1 3.5Å
406	K	91	Very high	92.3	Very high	135 Å²	135	44.7 Å²	44.7	59%	0.587	22%	0.217	S	C	*	.	S	Bend	trans	-81.2	-29.1	167.4	-62	175.4	-174	171.8	0	111.1	A391 E416	A391-K406 WeakPolarHBondContact CB-O 3.37Å; K406-E416 VanDerWaalsContact N-CD 3.28Å; K406-E416 PolarHBondContact N-OE1 3.31Å; K406-E416 PolarHBondContact N-OE2 2.96Å
407	C	94.9	Very high	92.4	Very high	45 Å²	45	42.7 Å²	42.7	30%	0.304	21%	0.205	S	C	.	.	S	Bend	trans	-80.2	143.4	174.4	-71	0	0	0	0	112.4	A391 A413 E416	A391-C407 PolarHBondContact N-O 3.13Å; C407-A413 HydrophobicContact CB-CB 4.31Å; C407-E416 PolarHBondContact N-OE2 2.86Å
408	N	96.9	Very high	92.5	Very high	73 Å²	73	42.8 Å²	42.8	39%	0.39	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-73.8	163.4	170.1	-73.1	30.1	0	0	0	111.9	D392 G410 R411 A413	D392-N408 HydrophobicContact CB-CB 4.37Å; D392-N408 VanDerWaalsContact CG-CG 3.5Å; D392-N408 VanDerWaalsContact OD1-CA 3.26Å; D392-N408 WeakPolarHBondContact OD1-CA 3.24Å; D392-N408 WeakPolarHBondContact OD1-CB 3.28Å; D392-N408 WeakPolarHBondContact OD2-CB 3.29Å; D392-N408 PolarHBondContact OD2-ND2 2.67Å; N408-G410 PolarHBondContact O-N 2.91Å; N408-R411 HydrophobicContact CB-CB 4.28Å; N408-R411 HydrophobicContact CB-CG 4.28Å; N408-R411 WeakPolarHBondContact O-CB 3.42Å; N408-R411 PolarHBondContact O-N 2.96Å; N408-R411 VanDerWaalsContact O-N 3.12Å; N408-A413 WeakPolarHBondContact O-CB 3.48Å
409	G	96.3	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	135.9	172	0	0	0	0	0	112.6	G284 T287 N288 D392 R411	G284-G409 VanDerWaalsContact O-CA 3.26Å; G284-G409 WeakPolarHBondContact O-CA 3.27Å; T287-G409 CarbonylContact O-C 3.42Å; N288-G409 VanDerWaalsContact CA-O 3.29Å; N288-G409 WeakPolarHBondContact CA-O 3.33Å; N288-G409 WeakPolarHBondContact CB-O 3.36Å; D392-G409 PolarHBondContact OD1-N 2.88Å; G409-R411 PolarHBondContact O-N 3.21Å; G409-R411 VanDerWaalsContact O-N 3.15Å
410	G	94.5	Very high	92.9	Very high	6 Å²	6	36.8 Å²	36.8	6%	0.062	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	20.5	-177.3	0	0	0	0	0	115	C285 L286 T287 N408	C285-G410 PolarHBondContact O-N 3.15Å; L286-G410 VanDerWaalsContact O-CA 3.28Å; L286-G410 WeakPolarHBondContact O-CA 3.49Å; T287-G410 PolarHBondContact O-N 3.5Å; N408-G410 PolarHBondContact O-N 2.91Å
411	R	96.1	Very high	93.1	Very high	151 Å²	151	36.1 Å²	36.1	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.4	31.2	179.2	-60.8	-66.4	-170.4	-169.3	0.7	112.2	N408 G409	N408-R411 HydrophobicContact CB-CB 4.28Å; N408-R411 HydrophobicContact CB-CG 4.28Å; N408-R411 WeakPolarHBondContact O-CB 3.42Å; N408-R411 PolarHBondContact O-N 2.96Å; N408-R411 VanDerWaalsContact O-N 3.12Å; G409-R411 PolarHBondContact O-N 3.21Å; G409-R411 VanDerWaalsContact O-N 3.15Å
412	G	95.5	Very high	93.1	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	7.2	179.2	0	0	0	0	0	115.2	D307 I414 R415 E416	D307-G412 WeakPolarHBondContact OD1-CA 3.4Å; D307-G412 WeakPolarHBondContact OD2-CA 3.45Å; D307-G412 PolarHBondContact OD2-N 3.39Å; G412-I414 PolarHBondContact O-N 3.26Å; G412-R415 WeakPolarHBondContact O-CB 3.42Å; G412-R415 PolarHBondContact O-N 2.9Å; G412-E416 PolarHBondContact O-N 3.19Å
413	A	96.8	Very high	93.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-38.9	179.9	0	0	0	0	0	112.9	D307 P390 C405 C407 N408 R415 E416 F417	D307-A413 PolarHBondContact OD1-N 2.95Å; P390-A413 HydrophobicContact CB-CB 4.09Å; P390-A413 HydrophobicContact CG-CB 4.1Å; C405-A413 HydrophobicContact CB-CB 4.37Å; C407-A413 HydrophobicContact CB-CB 4.31Å; N408-A413 WeakPolarHBondContact O-CB 3.48Å; A413-R415 VanDerWaalsContact C-N 3.35Å; A413-E416 PolarHBondContact O-N 3.2Å; A413-F417 WeakPolarHBondContact O-CB 3.46Å; A413-F417 PolarHBondContact O-N 2.83Å
414	I	97.6	Very high	92.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-40.5	176.1	-62.2	172.6	0	0	0	110	C280 L286 D307 I311 L371 G412 F417 A418	C280-I414 VanDerWaalsContact SG-CD1 3.54Å; L286-I414 HydrophobicContact CB-CD1 3.77Å; L286-I414 HydrophobicContact CD1-CD1 3.62Å; L286-I414 HydrophobicContact CG-CD1 4.3Å; D307-I414 HydrophobicContact CB-CB 3.98Å; D307-I414 HydrophobicContact CB-CD1 4.31Å; D307-I414 WeakPolarHBondContact OD1-CA 3.16Å; D307-I414 WeakPolarHBondContact OD1-CB 3.5Å; D307-I414 PolarHBondContact OD1-N 2.85Å; I311-I414 HydrophobicContact CD1-CD1 4.29Å; I311-I414 HydrophobicContact CD1-CG2 4.44Å; I311-I414 HydrophobicContact CG1-CG2 3.79Å; L371-I414 HydrophobicContact CD2-CB 4.39Å; L371-I414 HydrophobicContact CD2-CG1 3.61Å; G412-I414 PolarHBondContact O-N 3.26Å; I414-F417 PolarHBondContact O-N 3.19Å; I414-A418 WeakPolarHBondContact O-CB 3.39Å; I414-A418 PolarHBondContact O-N 3.19Å
415	R	97.1	Very high	92	Very high	68 Å²	68	35.7 Å²	35.7	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-59.6	-47.2	175.9	174.9	57.2	-170	-138.3	5.6	111.9	K306 D307 G412 A413 A418 E419	K306-R415 HydrophobicContact CB-CB 4.18Å; K306-R415 HydrophobicContact CB-CG 4.32Å; K306-R415 WeakPolarHBondContact O-CB 3.3Å; D307-R415 PolarHBondContact OD1-N 2.78Å; G412-R415 WeakPolarHBondContact O-CB 3.42Å; G412-R415 PolarHBondContact O-N 2.9Å; A413-R415 VanDerWaalsContact C-N 3.35Å; R415-A418 WeakPolarHBondContact O-CB 3.44Å; R415-A418 PolarHBondContact O-N 3.49Å; R415-E419 IonicContact CZ-OE1 3.7Å; R415-E419 IonicContact NE-OE1 2.74Å; R415-E419 PolarHBondContact NE-OE1 3.5Å; R415-E419 IonicContact NH2-OE1 3.51Å; R415-E419 PolarHBondContact NH2-OE1 3.45Å; R415-E419 PolarHBondContact O-N 3.5Å; R415-E419 VanDerWaalsContact O-N 3.12Å
416	E	94.9	Very high	91.2	Very high	25 Å²	25	40.5 Å²	40.5	12%	0.117	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-46	178.6	-171.3	-172.6	143.3	0	0	111.1	Y403 C405 K406 C407 G412 A413 A418 E419 H420	Y403-E416 HydrophobicContact CE1-CG 4.38Å; Y403-E416 PolarHBondContact OH-OE1 2.75Å; C405-E416 VanDerWaalsContact CA-OE1 3.22Å; C405-E416 WeakPolarHBondContact CA-OE1 3.5Å; K406-E416 VanDerWaalsContact N-CD 3.28Å; K406-E416 PolarHBondContact N-OE1 3.31Å; K406-E416 PolarHBondContact N-OE2 2.96Å; C407-E416 PolarHBondContact N-OE2 2.86Å; G412-E416 PolarHBondContact O-N 3.19Å; A413-E416 PolarHBondContact O-N 3.2Å; E416-A418 VanDerWaalsContact C-N 3.31Å; E416-A418 PolarHBondContact O-N 2.74Å; E416-E419 WeakPolarHBondContact O-CB 3.42Å; E416-E419 PolarHBondContact O-N 3.27Å; E416-E419 VanDerWaalsContact O-N 3.16Å; E416-H420 PolarHBondContact O-N 2.75Å
417	F	95.6	Very high	89.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-34.8	178.5	-168.1	-130.9	0	0	0	112.4	L278 A369 L371 L386 Y403 A413 I414 H420 I421	L278-F417 HydrophobicContact CD1-CD1 3.94Å; L278-F417 HydrophobicContact CD1-CE1 3.65Å; A369-F417 HydrophobicContact CB-CE1 4.29Å; A369-F417 HydrophobicContact CB-CZ 4.48Å; L371-F417 HydrophobicContact CB-CD1 4Å; L371-F417 HydrophobicContact CB-CE1 4.15Å; L371-F417 HydrophobicContact CD1-CB 4.35Å; L371-F417 HydrophobicContact CD1-CD1 4.05Å; L371-F417 HydrophobicContact CD1-CG 4.16Å; L371-F417 HydrophobicContact CG-CD1 4.42Å; L386-F417 HydrophobicContact CD2-CE2 4.24Å; L386-F417 HydrophobicContact CD2-CZ 4.15Å; L386-F417 HydrophobicContact CG-CE2 4.09Å; L386-F417 HydrophobicContact CG-CZ 3.91Å; Y403-F417 AromaticContact CD1-CD2 3.63Å; Y403-F417 HydrophobicContact CD1-CD2 3.63Å; Y403-F417 HydrophobicContact CD1-CE2 4.17Å; Y403-F417 HydrophobicContact CE1-CD2 4.32Å; Y403-F417 HydrophobicContact CG-CD2 4.27Å; Y403-F417 HydrophobicContact CG-CE2 4.41Å; A413-F417 WeakPolarHBondContact O-CB 3.46Å; A413-F417 PolarHBondContact O-N 2.83Å; I414-F417 PolarHBondContact O-N 3.19Å; F417-H420 HydrophobicContact CD2-CB 4.49Å; F417-H420 WeakPolarHBondContact O-CB 3.49Å; F417-H420 PolarHBondContact O-N 2.55Å; F417-I421 HydrophobicContact CD1-CD1 4.04Å; F417-I421 HydrophobicContact CE1-CD1 4.08Å; F417-I421 VanDerWaalsContact O-CG1 3.32Å; F417-I421 WeakPolarHBondContact O-CG1 3.18Å; F417-I421 PolarHBondContact O-N 3.15Å
418	A	95.1	Very high	88.1	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-43.9	171.7	0	0	0	0	0	112.1	L314 I414 R415 E416 H420 I421 F422	L314-A418 HydrophobicContact CD1-CB 3.72Å; L314-A418 HydrophobicContact CD2-CB 3.98Å; L314-A418 HydrophobicContact CG-CB 3.74Å; I414-A418 WeakPolarHBondContact O-CB 3.39Å; I414-A418 PolarHBondContact O-N 3.19Å; R415-A418 WeakPolarHBondContact O-CB 3.44Å; R415-A418 PolarHBondContact O-N 3.49Å; E416-A418 VanDerWaalsContact C-N 3.31Å; E416-A418 PolarHBondContact O-N 2.74Å; A418-H420 VanDerWaalsContact C-N 3.31Å; A418-H420 PolarHBondContact O-N 2.88Å; A418-I421 WeakPolarHBondContact O-CB 3.37Å; A418-I421 PolarHBondContact O-N 3.43Å; A418-F422 HydrophobicContact CB-CE2 4.26Å; A418-F422 WeakPolarHBondContact O-CD2 3.22Å; A418-F422 WeakPolarHBondContact O-CG 3.45Å; A418-F422 PolarHBondContact O-N 3.36Å
419	E	90.9	Very high	86.3	Confident	95 Å²	95	34.4 Å²	34.4	44%	0.444	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-38.7	175.5	-70.9	175.7	176.5	0	0	112	R415 E416 F422 L423	R415-E419 IonicContact CZ-OE1 3.7Å; R415-E419 IonicContact NE-OE1 2.74Å; R415-E419 PolarHBondContact NE-OE1 3.5Å; R415-E419 IonicContact NH2-OE1 3.51Å; R415-E419 PolarHBondContact NH2-OE1 3.45Å; R415-E419 PolarHBondContact O-N 3.5Å; R415-E419 VanDerWaalsContact O-N 3.12Å; E416-E419 WeakPolarHBondContact O-CB 3.42Å; E416-E419 PolarHBondContact O-N 3.27Å; E416-E419 VanDerWaalsContact O-N 3.16Å; E419-F422 PolarHBondContact O-N 3.16Å; E419-L423 WeakPolarHBondContact O-CB 3.48Å; E419-L423 PolarHBondContact O-N 3.32Å
420	H	89.1	Confident	84.4	Confident	13 Å²	13	38.9 Å²	38.9	6%	0.06	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-44.9	173.1	-174.9	67.2	0	0	0	112.1	Y403 E416 F417 A418 F422 L423 L424	Y403-H420 HydrophobicContact CD2-CB 4.49Å; Y403-H420 AromaticContact CD2-CD2 3.68Å; Y403-H420 AromaticContact CD2-CE1 3.51Å; Y403-H420 AromaticContact CD2-CG 3.68Å; Y403-H420 AromaticContact CD2-ND1 3.59Å; Y403-H420 AromaticContact CD2-NE2 3.58Å; Y403-H420 HydrophobicContact CE1-CB 4.27Å; Y403-H420 HydrophobicContact CE2-CB 4.21Å; Y403-H420 AromaticContact CE2-CE1 3.87Å; Y403-H420 AromaticContact CE2-CG 3.73Å; Y403-H420 AromaticContact CE2-ND1 3.51Å; Y403-H420 AromaticContact CG-CD2 3.74Å; Y403-H420 AromaticContact CG-NE2 3.95Å; E416-H420 PolarHBondContact O-N 2.75Å; F417-H420 HydrophobicContact CD2-CB 4.49Å; F417-H420 WeakPolarHBondContact O-CB 3.49Å; F417-H420 PolarHBondContact O-N 2.55Å; A418-H420 VanDerWaalsContact C-N 3.31Å; A418-H420 PolarHBondContact O-N 2.88Å; H420-F422 PolarHBondContact O-N 3.44Å; H420-L423 PolarHBondContact O-N 3.12Å; H420-L424 WeakPolarHBondContact O-CG 3.13Å; H420-L424 PolarHBondContact O-N 3.32Å; H420-L424 VanDerWaalsContact O-N 3.11Å
421	I	91.1	Very high	82.3	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-50.1	174.5	-70.2	162.6	0	0	0	110.5	I275 L278 L314 I319 A369 L386 F417 A418 L423 L424 M425	I275-I421 HydrophobicContact CB-CG2 4.23Å; I275-I421 HydrophobicContact CG1-CG2 4.45Å; I275-I421 HydrophobicContact CG2-CG2 4.5Å; L278-I421 HydrophobicContact CD1-CD1 4.43Å; L278-I421 HydrophobicContact CD2-CD1 4.46Å; L314-I421 HydrophobicContact CD2-CB 4.41Å; L314-I421 HydrophobicContact CD2-CD1 4.16Å; L314-I421 HydrophobicContact CD2-CG2 4.2Å; I319-I421 HydrophobicContact CD1-CG2 3.74Å; A369-I421 HydrophobicContact CB-CD1 4.29Å; L386-I421 HydrophobicContact CD2-CB 4.46Å; L386-I421 HydrophobicContact CD2-CG1 3.51Å; F417-I421 HydrophobicContact CD1-CD1 4.04Å; F417-I421 HydrophobicContact CE1-CD1 4.08Å; F417-I421 VanDerWaalsContact O-CG1 3.32Å; F417-I421 WeakPolarHBondContact O-CG1 3.18Å; F417-I421 PolarHBondContact O-N 3.15Å; A418-I421 WeakPolarHBondContact O-CB 3.37Å; A418-I421 PolarHBondContact O-N 3.43Å; I421-L423 VanDerWaalsContact C-N 3.32Å; I421-L423 PolarHBondContact O-N 3.31Å; I421-L424 PolarHBondContact O-N 3.49Å; I421-M425 HydrophobicContact CG2-CG 4.3Å; I421-M425 HydrophobicContact CG2-SD 3.85Å; I421-M425 WeakPolarHBondContact O-CG 3.39Å; I421-M425 PolarHBondContact O-N 2.66Å
422	F	88.2	Confident	79.8	Confident	53 Å²	53	37 Å²	37	23%	0.232	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-41.8	-179.3	-68.6	-47.9	0	0	0	112.9	L313 L314 S317 A418 E419 H420 L424 M425 E426	L313-F422 HydrophobicContact CB-CE2 3.94Å; L313-F422 HydrophobicContact CB-CZ 3.94Å; L314-F422 HydrophobicContact CD2-CE1 4.12Å; L314-F422 HydrophobicContact CD2-CE2 4.33Å; L314-F422 HydrophobicContact CD2-CZ 3.81Å; L314-F422 HydrophobicContact CG-CZ 4.21Å; S317-F422 WeakPolarHBondContact OG-CE1 3.17Å; A418-F422 HydrophobicContact CB-CE2 4.26Å; A418-F422 WeakPolarHBondContact O-CD2 3.22Å; A418-F422 WeakPolarHBondContact O-CG 3.45Å; A418-F422 PolarHBondContact O-N 3.36Å; E419-F422 PolarHBondContact O-N 3.16Å; H420-F422 PolarHBondContact O-N 3.44Å; F422-L424 VanDerWaalsContact C-N 3.29Å; F422-L424 PolarHBondContact O-N 3.28Å; F422-M425 HydrophobicContact CD1-SD 4.22Å; F422-M425 PolarHBondContact O-N 2.85Å; F422-M425 VanDerWaalsContact O-N 3.17Å; F422-E426 PolarHBondContact O-N 2.67Å
423	L	82.3	Confident	77	Confident	40 Å²	40	44.8 Å²	44.8	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-37.8	179.3	-179.4	146.5	0	0	0	111.6	L262 E419 H420 I421	L262-L423 HydrophobicContact CB-CD1 4.42Å; L262-L423 HydrophobicContact CB-CD2 3.49Å; L262-L423 VanDerWaalsContact CB-CD2 3.49Å; L262-L423 HydrophobicContact CD1-CD2 3.95Å; L262-L423 HydrophobicContact CD2-CD2 3.58Å; L262-L423 HydrophobicContact CG-CD2 3.82Å; E419-L423 WeakPolarHBondContact O-CB 3.48Å; E419-L423 PolarHBondContact O-N 3.32Å; H420-L423 PolarHBondContact O-N 3.12Å; I421-L423 VanDerWaalsContact C-N 3.32Å; I421-L423 PolarHBondContact O-N 3.31Å
424	L	79.1	Confident	74	Confident	22 Å²	22	56.2 Å²	56.2	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-39.2	173.6	-68.7	175.7	0	0	0	111.5	L262 F267 L272 L386 H420 I421 F422 K427 V428	L262-L424 HydrophobicContact CD2-CD2 3.8Å; F267-L424 HydrophobicContact CE1-CD2 3.88Å; L272-L424 HydrophobicContact CD1-CD2 4.36Å; L386-L424 HydrophobicContact CD1-CD1 3.69Å; L386-L424 HydrophobicContact CD2-CD1 3.91Å; L386-L424 HydrophobicContact CG-CD1 4.46Å; H420-L424 WeakPolarHBondContact O-CG 3.13Å; H420-L424 PolarHBondContact O-N 3.32Å; H420-L424 VanDerWaalsContact O-N 3.11Å; I421-L424 PolarHBondContact O-N 3.49Å; F422-L424 VanDerWaalsContact C-N 3.29Å; F422-L424 PolarHBondContact O-N 3.28Å; L424-K427 WeakPolarHBondContact O-CB 3.42Å; L424-K427 PolarHBondContact O-N 3.11Å; L424-V428 PolarHBondContact O-N 2.83Å
425	M	77.4	Confident	72.8	Confident	15 Å²	15	59 Å²	59	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-37.5	176.9	-70	173.2	81.7	0	0	113.5	E274 I319 I421 F422 K427 V428 N429	E274-M425 HydrophobicContact CG-CE 3.56Å; E274-M425 WeakPolarHBondContact OE1-CE 3.47Å; I319-M425 HydrophobicContact CD1-CE 4.12Å; I319-M425 HydrophobicContact CD1-SD 3.63Å; I421-M425 HydrophobicContact CG2-CG 4.3Å; I421-M425 HydrophobicContact CG2-SD 3.85Å; I421-M425 WeakPolarHBondContact O-CG 3.39Å; I421-M425 PolarHBondContact O-N 2.66Å; F422-M425 HydrophobicContact CD1-SD 4.22Å; F422-M425 PolarHBondContact O-N 2.85Å; F422-M425 VanDerWaalsContact O-N 3.17Å; M425-K427 PolarHBondContact O-N 2.91Å; M425-V428 WeakPolarHBondContact O-CB 3.42Å; M425-V428 PolarHBondContact O-N 3.38Å; M425-N429 PolarHBondContact O-N 2.9Å
426	E	74.3	Confident	71.6	Confident	103 Å²	103	58.5 Å²	58.5	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-54.7	-36.1	173.5	-78.6	-167.9	178.6	0	0	111.3	R263 F422 N430	R263-E426 IonicContact NH1-OE2 3.82Å; R263-E426 PolarHBondContact NH1-OE2 2.94Å; F422-E426 PolarHBondContact O-N 2.67Å; E426-N430 WeakPolarHBondContact O-CB 3.21Å; E426-N430 VanDerWaalsContact O-CG 3.27Å; E426-N430 PolarHBondContact O-N 2.66Å; E426-N430 VanDerWaalsContact O-N 3.13Å; E426-N430 PolarHBondContact O-ND2 2.82Å
427	K	63.2	Low	70.3	Confident	37 Å²	37	60.3 Å²	60.3	16%	0.161	30%	0.3	C	S	.	.	H	α-helix	trans	-71.8	-39.8	176.2	-66.6	-163.9	133.9	178.2	0	112.9	V261 L262 R263 G265 F267 L424 M425 N429 N430 S431	V261-K427 PolarHBondContact O-NZ 3.03Å; V261-K427 VanDerWaalsContact O-NZ 3.13Å; L262-K427 WeakPolarHBondContact O-CD 3.34Å; L262-K427 WeakPolarHBondContact O-CE 3.37Å; L262-K427 PolarHBondContact O-NZ 2.69Å; R263-K427 WeakPolarHBondContact O-CE 3.38Å; R263-K427 PolarHBondContact O-NZ 3.34Å; R263-K427 VanDerWaalsContact O-NZ 3.14Å; G265-K427 PolarHBondContact O-NZ 2.8Å; F267-K427 HydrophobicContact CD2-CD 3.99Å; F267-K427 HydrophobicContact CE2-CD 3.71Å; F267-K427 HydrophobicContact CZ-CD 3.97Å; L424-K427 WeakPolarHBondContact O-CB 3.42Å; L424-K427 PolarHBondContact O-N 3.11Å; M425-K427 PolarHBondContact O-N 2.91Å; K427-N429 VanDerWaalsContact C-N 3.32Å; K427-N429 PolarHBondContact O-N 2.89Å; K427-N430 PolarHBondContact O-N 2.88Å; K427-S431 WeakPolarHBondContact O-CB 3.29Å; K427-S431 PolarHBondContact O-N 3.28Å; K427-S431 PolarHBondContact O-OG 2.91Å
428	V	58.8	Low	68.8	Low	13 Å²	13	63.9 Å²	63.9	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-51.4	174.1	-179.5	0	0	0	0	109.9	L272 L424 M425 N430 S431 C432	L272-V428 HydrophobicContact CB-CG2 3.51Å; L272-V428 VanDerWaalsContact O-CG1 3.29Å; L272-V428 WeakPolarHBondContact O-CG1 3.45Å; L272-V428 WeakPolarHBondContact O-CG2 3.22Å; L424-V428 PolarHBondContact O-N 2.83Å; M425-V428 WeakPolarHBondContact O-CB 3.42Å; M425-V428 PolarHBondContact O-N 3.38Å; V428-N430 PolarHBondContact O-N 2.96Å; V428-S431 PolarHBondContact O-N 3.19Å; V428-S431 VanDerWaalsContact O-N 3.09Å; V428-S431 PolarHBondContact O-OG 2.91Å; V428-C432 PolarHBondContact O-N 3.17Å; V428-C432 VanDerWaalsContact O-N 3.15Å
429	N	57.8	Low	67.1	Low	76 Å²	76	67.8 Å²	67.8	41%	0.406	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-42.1	-176.8	-70.7	-19.1	0	0	0	112.2	M425 K427 S431 C432 Q433	M425-N429 PolarHBondContact O-N 2.9Å; K427-N429 VanDerWaalsContact C-N 3.32Å; K427-N429 PolarHBondContact O-N 2.89Å; N429-S431 VanDerWaalsContact C-N 3.28Å; N429-S431 PolarHBondContact O-N 2.92Å; N429-C432 PolarHBondContact O-N 2.71Å; N429-Q433 PolarHBondContact O-N 3.14Å
430	N	56.8	Low	65.5	Low	94 Å²	94	66 Å²	66	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-27.7	175.3	-72.8	-36.5	0	0	0	113.4	E426 K427 V428	E426-N430 WeakPolarHBondContact O-CB 3.21Å; E426-N430 VanDerWaalsContact O-CG 3.27Å; E426-N430 PolarHBondContact O-N 2.66Å; E426-N430 VanDerWaalsContact O-N 3.13Å; E426-N430 PolarHBondContact O-ND2 2.82Å; K427-N430 PolarHBondContact O-N 2.88Å; V428-N430 PolarHBondContact O-N 2.96Å
431	S	50.8	Low	63.9	Low	50 Å²	50	69.8 Å²	69.8	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-80.9	-16.1	176.3	77.4	0	0	0	0	114.2	K427 V428 N429	K427-S431 WeakPolarHBondContact O-CB 3.29Å; K427-S431 PolarHBondContact O-N 3.28Å; K427-S431 PolarHBondContact O-OG 2.91Å; V428-S431 PolarHBondContact O-N 3.19Å; V428-S431 VanDerWaalsContact O-N 3.09Å; V428-S431 PolarHBondContact O-OG 2.91Å; N429-S431 VanDerWaalsContact C-N 3.28Å; N429-S431 PolarHBondContact O-N 2.92Å
432	C	42.8	Very low	61.8	Low	68 Å²	68	75.2 Å²	75.2	46%	0.459	38%	0.376	S	S	.	.	H	α-helix	trans	-93.3	-15.1	177.5	-75.6	0	0	0	0	113.7	K271 V428 N429	K271-C432 PolarHBondContact NZ-SG 3.39Å; K271-C432 VanDerWaalsContact NZ-SG 3.42Å; V428-C432 PolarHBondContact O-N 3.17Å; V428-C432 VanDerWaalsContact O-N 3.15Å; N429-C432 PolarHBondContact O-N 2.71Å
433	Q	36.6	Very low	59.6	Low	166 Å²	166	77 Å²	77	78%	0.776	39%	0.388	S	S	*	.			trans	-92	0.4	179.4	-70.3	-178.9	-5.2	0	0	114.1	N429	N429-Q433 PolarHBondContact O-N 3.14Å
434	K	34.9	Very low	57.5	Low	240 Å²	240	80.4 Å²	80.4	100%	1.043	40%	0.404	S	S	*	.			trans	-113.8	0	169.6	-69.1	-176.2	179.8	-179	0	109

Retrieved 434 of 434 residues in 270.2 ms (Link to these results)

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