A0A087X622_POEFO Loading...

Phosphoinositide phospholipase C

AlphaFold DB , UniProt , Accession A0A087X622, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	27.8	Very low	235 Å²	235	132 Å²	132	100%	1.158	86%	0.861	S	S	*	*				0	116.1	0	-81.5	172.3	142.8	0	0	107.9
2	S	30.2	Very low	27.5	Very low	124 Å²	124	126.6 Å²	126.6	87%	0.867	85%	0.847	S	S	*	*			trans	35.1	126	151	51.9	0	0	0	0	119.8
3	G	28	Very low	27.7	Very low	67 Å²	67	127 Å²	127	69%	0.691	85%	0.848	S	S	*	*			cis	167.8	133.6	7.5	0	0	0	0	0	110.3
4	S	27.9	Very low	27.8	Very low	134 Å²	134	135.5 Å²	135.5	94%	0.937	85%	0.854	S	S	*	*			trans	68.5	121.8	130.9	69.1	0	0	0	0	122.1
5	G	27.3	Very low	27.8	Very low	81 Å²	81	136.9 Å²	136.9	84%	0.835	85%	0.853	S	S	*	*			trans	166.7	82.5	159.4	0	0	0	0	0	113.5
6	S	26.6	Very low	28.1	Very low	107 Å²	107	140.6 Å²	140.6	75%	0.748	86%	0.856	S	S	*	*			trans	-79	137.4	179.2	57.8	0	0	0	0	113.9
7	K	28.3	Very low	28.1	Very low	207 Å²	207	144.4 Å²	144.4	90%	0.9	86%	0.858	S	S	*	*				168	154.8	116	-91.3	180	-179.2	-178.8	0	112.3
8	S	25.3	Very low	28.1	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	84%	0.841	S	S	*	*			trans	-96.6	146.1	-149.7	56.3	0	0	0	0	117.5
9	A	27	Very low	28.2	Very low	92 Å²	92	137.3 Å²	137.3	76%	0.76	83%	0.829	S	S	*	*			trans	48.6	120.5	134.4	0	0	0	0	0	122.4
10	T	23.3	Very low	28.2	Very low	149 Å²	149	134.5 Å²	134.5	91%	0.914	82%	0.821	S	S	*	*			trans	-167.4	110.8	132.3	8.1	0	0	0	0	110
11	T	28.5	Very low	28.2	Very low	146 Å²	146	130.9 Å²	130.9	90%	0.896	81%	0.806	S	S	*	*			trans	-109.5	113.1	174.3	45.8	0	0	0	0	109.7
12	G	24.8	Very low	28	Very low	67 Å²	67	126.4 Å²	126.4	69%	0.691	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-73.7	160.1	172	0	0	0	0	0	112.9
13	P	29.3	Very low	28	Very low	132 Å²	132	129.1 Å²	129.1	86%	0.857	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-81.1	140.6	-172.9	32.9	-33	0	0	0	112.1
14	R	29.2	Very low	28.2	Very low	246 Å²	246	130.5 Å²	130.5	93%	0.928	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71.1	127.9	174.9	-79.1	175.8	169.1	174.6	-4.1	111.2	Q16	R14-Q16 PolarHBondContact O-N 2.98Å
15	D	29.1	Very low	28.9	Very low	157 Å²	157	133.3 Å²	133.3	84%	0.84	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.3	123.1	169.3	-77	-44.9	0	0	0	112.5
16	Q	32.2	Very low	29.7	Very low	195 Å²	195	132.1 Å²	132.1	91%	0.911	73%	0.733	S	S	*	*			trans	-94.3	102.4	158.8	-78.3	-176.6	4.3	0	0	109.1	R14 G18	R14-Q16 PolarHBondContact O-N 2.98Å; Q16-G18 PolarHBondContact O-N 2.93Å; Q16-G18 VanDerWaalsContact O-N 3.16Å
17	K	28.5	Very low	30.5	Very low	205 Å²	205	129.3 Å²	129.3	89%	0.891	71%	0.712	S	S	*	*			trans	-76	89.9	164.9	-84.2	-179.3	175	175.8	0	109.6
18	G	28	Very low	31.4	Very low	53 Å²	53	120.3 Å²	120.3	55%	0.546	67%	0.674	S	S	.	*			trans	-73.2	125.7	159.6	0	0	0	0	0	110.2	Q16	Q16-G18 PolarHBondContact O-N 2.93Å; Q16-G18 VanDerWaalsContact O-N 3.16Å
19	T	29.1	Very low	32.3	Very low	101 Å²	101	121.8 Å²	121.8	62%	0.62	66%	0.662	S	S	*	*			trans	-61	139.3	-177.7	41	0	0	0	0	112.8	A21 E22	T19-A21 PolarHBondContact O-N 3.16Å; T19-E22 PolarHBondContact O-N 2.9Å
20	A	28.2	Very low	33.2	Very low	81 Å²	81	127.8 Å²	127.8	67%	0.669	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-10.1	-178.3	0	0	0	0	0	115.7
21	A	29.4	Very low	34.5	Very low	60 Å²	60	122.2 Å²	122.2	50%	0.496	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-15.8	178.6	0	0	0	0	0	114.8	T19 T24	T19-A21 PolarHBondContact O-N 3.16Å; A21-T24 PolarHBondContact O-OG1 3.46Å
22	E	28.9	Very low	36	Very low	141 Å²	141	115.9 Å²	115.9	66%	0.659	59%	0.594	S	S	*	*	S	Bend	trans	-85.1	-18.5	174	-90.3	178.5	155.7	0	0	113.1	T19 T24	T19-E22 PolarHBondContact O-N 2.9Å; E22-T24 PolarHBondContact O-N 2.81Å
23	R	28.5	Very low	37.9	Very low	180 Å²	180	112.8 Å²	112.8	68%	0.679	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-8	-173.7	-68.9	-175.6	177.6	-175.3	-1.2	114.2
24	T	33.7	Very low	39.4	Very low	96 Å²	96	108.2 Å²	108.2	59%	0.589	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	6	-172.6	43.4	0	0	0	0	115.3	A21 E22	A21-T24 PolarHBondContact O-OG1 3.46Å; E22-T24 PolarHBondContact O-N 2.81Å
25	R	41.8	Very low	41.4	Very low	194 Å²	194	102.5 Å²	102.5	73%	0.732	52%	0.517	S	S	*	.			trans	-99.7	-9.8	-169.4	-67.5	-175.8	-179.6	-172.6	-3.8	116.5	P27	R25-P27 WeakPolarHBondContact O-CD 3.31Å
26	D	44.3	Very low	43.8	Very low	56 Å²	56	96.6 Å²	96.6	30%	0.299	49%	0.485	S	S	.	.			trans	-84	118	179.1	-177.3	-10.1	0	0	0	110.1	I28 R29 R30	D26-I28 PolarHBondContact O-N 3.1Å; D26-I28 VanDerWaalsContact O-N 3.15Å; D26-I28 VanDerWaalsContact OD1-CB 3.28Å; D26-I28 WeakPolarHBondContact OD1-CB 3.31Å; D26-I28 WeakPolarHBondContact OD1-CD1 3.22Å; D26-I28 WeakPolarHBondContact OD1-CG1 3.44Å; D26-I28 PolarHBondContact OD1-N 2.99Å; D26-R29 HydrophobicContact CB-CB 4.06Å; D26-R29 HydrophobicContact CB-CG 3.95Å; D26-R29 WeakPolarHBondContact O-CA 3.16Å; D26-R29 WeakPolarHBondContact O-CB 3.44Å; D26-R29 PolarHBondContact O-N 3Å; D26-R30 PolarHBondContact O-N 3.45Å
27	P	43.7	Very low	46.2	Very low	47 Å²	47	93 Å²	93	31%	0.305	47%	0.469	S	S	.	.	H	α-helix	trans	-53.6	-33.6	178	-22.4	31.7	0	0	0	112.5	R25 R30 L31	R25-P27 WeakPolarHBondContact O-CD 3.31Å; P27-R30 PolarHBondContact O-N 3.12Å; P27-L31 VanDerWaalsContact O-CB 3.28Å; P27-L31 WeakPolarHBondContact O-CB 3.4Å; P27-L31 WeakPolarHBondContact O-CD1 3.43Å; P27-L31 WeakPolarHBondContact O-CG 3.05Å; P27-L31 PolarHBondContact O-N 3.49Å
28	I	46.5	Very low	49	Very low	19 Å²	19	84.1 Å²	84.1	10%	0.097	43%	0.431	C	S	.	.	H	α-helix	trans	-67.9	-37.9	179.6	-47.5	160.7	0	0	0	110.5	D26 G32 I33 L34 E66	D26-I28 PolarHBondContact O-N 3.1Å; D26-I28 VanDerWaalsContact O-N 3.15Å; D26-I28 VanDerWaalsContact OD1-CB 3.28Å; D26-I28 WeakPolarHBondContact OD1-CB 3.31Å; D26-I28 WeakPolarHBondContact OD1-CD1 3.22Å; D26-I28 WeakPolarHBondContact OD1-CG1 3.44Å; D26-I28 PolarHBondContact OD1-N 2.99Å; I28-G32 PolarHBondContact O-N 3.21Å; I28-I33 HydrophobicContact CG2-CB 3.69Å; I28-I33 HydrophobicContact CG2-CD1 4.46Å; I28-I33 HydrophobicContact CG2-CG2 3.83Å; I28-I33 PolarHBondContact O-N 3.02Å; I28-I33 VanDerWaalsContact O-N 3.08Å; I28-L34 HydrophobicContact CB-CD1 4.01Å; I28-L34 HydrophobicContact CB-CG 4.4Å; I28-L34 HydrophobicContact CG2-CD1 3.79Å; I28-L34 HydrophobicContact CG2-CD2 4.47Å; I28-L34 HydrophobicContact CG2-CG 3.63Å; I28-E66 WeakPolarHBondContact CD1-O 3.41Å; I28-E66 WeakPolarHBondContact CG1-O 3.4Å
29	R	44.8	Very low	51.7	Low	140 Å²	140	81.6 Å²	81.6	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-73.2	-36.9	173.3	-70.9	-171.1	176.8	-171.9	-1	112.2	D26 L31 G32 L34	D26-R29 HydrophobicContact CB-CB 4.06Å; D26-R29 HydrophobicContact CB-CG 3.95Å; D26-R29 WeakPolarHBondContact O-CA 3.16Å; D26-R29 WeakPolarHBondContact O-CB 3.44Å; D26-R29 PolarHBondContact O-N 3Å; R29-L31 PolarHBondContact O-N 3.19Å; R29-G32 PolarHBondContact O-N 3.4Å; R29-L34 HydrophobicContact CG-CD1 3.46Å; R29-L34 VanDerWaalsContact CG-CD1 3.46Å
30	R	45.8	Very low	54.3	Low	219 Å²	219	82.9 Å²	82.9	83%	0.826	40%	0.398	S	S	*	.	H	α-helix	trans	-64.6	-32.6	175.5	-137.5	-178.5	-161.9	176.8	5.9	111.8	D26 P27	D26-R30 PolarHBondContact O-N 3.45Å; P27-R30 PolarHBondContact O-N 3.12Å
31	L	51.3	Low	57	Low	32 Å²	32	80.4 Å²	80.4	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-76	-28.2	171.7	-72.3	167.9	0	0	0	110.6	P27 R29 I33 R151 M155	P27-L31 VanDerWaalsContact O-CB 3.28Å; P27-L31 WeakPolarHBondContact O-CB 3.4Å; P27-L31 WeakPolarHBondContact O-CD1 3.43Å; P27-L31 WeakPolarHBondContact O-CG 3.05Å; P27-L31 PolarHBondContact O-N 3.49Å; R29-L31 PolarHBondContact O-N 3.19Å; L31-I33 VanDerWaalsContact C-N 3.28Å; L31-I33 HydrophobicContact CB-CD1 3.87Å; L31-I33 HydrophobicContact CB-CG1 3.88Å; L31-I33 HydrophobicContact CD1-CD1 3.87Å; L31-I33 HydrophobicContact CG-CD1 4.49Å; L31-R151 PolarHBondContact O-NH1 3.49Å; L31-R151 PolarHBondContact O-NH2 3.07Å; L31-M155 HydrophobicContact CD1-CE 4.4Å; L31-M155 HydrophobicContact CD2-CE 4.47Å
32	G	58.4	Low	59.8	Low	13 Å²	13	77.5 Å²	77.5	13%	0.134	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	23.7	-173.4	0	0	0	0	0	112	I28 R29 L34 D35	I28-G32 PolarHBondContact O-N 3.21Å; R29-G32 PolarHBondContact O-N 3.4Å; G32-L34 VanDerWaalsContact C-N 3.28Å; G32-D35 VanDerWaalsContact CA-OD2 3.27Å; G32-D35 WeakPolarHBondContact CA-OD2 3.25Å; G32-D35 PolarHBondContact O-N 3.45Å
33	I	64.8	Low	62.5	Low	2 Å²	2	72.7 Å²	72.7	1%	0.01	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-67.1	-36.6	172.3	-69.6	170.5	0	0	0	109.7	I28 L31 D35 N36 I39 L148	I28-I33 HydrophobicContact CG2-CB 3.69Å; I28-I33 HydrophobicContact CG2-CD1 4.46Å; I28-I33 HydrophobicContact CG2-CG2 3.83Å; I28-I33 PolarHBondContact O-N 3.02Å; I28-I33 VanDerWaalsContact O-N 3.08Å; L31-I33 VanDerWaalsContact C-N 3.28Å; L31-I33 HydrophobicContact CB-CD1 3.87Å; L31-I33 HydrophobicContact CB-CG1 3.88Å; L31-I33 HydrophobicContact CD1-CD1 3.87Å; L31-I33 HydrophobicContact CG-CD1 4.49Å; I33-D35 PolarHBondContact O-N 2.9Å; I33-N36 PolarHBondContact O-N 2.85Å; I33-I39 HydrophobicContact CG2-CB 4.49Å; I33-I39 HydrophobicContact CG2-CG2 3.62Å; I33-L148 HydrophobicContact CG2-CD2 4.29Å
34	L	62.1	Low	65.2	Low	35 Å²	35	71.4 Å²	71.4	18%	0.183	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-72.4	-8.7	177.2	-75.3	161.5	0	0	0	113.6	I28 R29 G32 N36 R40 M43	I28-L34 HydrophobicContact CB-CD1 4.01Å; I28-L34 HydrophobicContact CB-CG 4.4Å; I28-L34 HydrophobicContact CG2-CD1 3.79Å; I28-L34 HydrophobicContact CG2-CD2 4.47Å; I28-L34 HydrophobicContact CG2-CG 3.63Å; R29-L34 HydrophobicContact CG-CD1 3.46Å; R29-L34 VanDerWaalsContact CG-CD1 3.46Å; G32-L34 VanDerWaalsContact C-N 3.28Å; L34-N36 VanDerWaalsContact C-N 3.29Å; L34-R40 PolarHBondContact O-NE 2.82Å; L34-R40 PolarHBondContact O-NH2 2.89Å; L34-M43 HydrophobicContact CD2-SD 4.03Å
35	D	70.8	Confident	67.7	Low	126 Å²	126	68.2 Å²	68.2	67%	0.674	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-81.2	-15	176.9	-59.7	-31.6	0	0	0	111.9	G32 I33	G32-D35 VanDerWaalsContact CA-OD2 3.27Å; G32-D35 WeakPolarHBondContact CA-OD2 3.25Å; G32-D35 PolarHBondContact O-N 3.45Å; I33-D35 PolarHBondContact O-N 2.9Å
36	N	79.5	Confident	69.9	Low	33 Å²	33	59.4 Å²	59.4	18%	0.176	29%	0.285	C	S	.	.			trans	-89.7	122	177.8	-172	-43.3	0	0	0	111.3	I33 L34 D38 I39 R40 F147	I33-N36 PolarHBondContact O-N 2.85Å; L34-N36 VanDerWaalsContact C-N 3.29Å; N36-D38 PolarHBondContact O-N 3.23Å; N36-D38 WeakPolarHBondContact OD1-CB 3.3Å; N36-D38 PolarHBondContact OD1-N 3.26Å; N36-I39 HydrophobicContact CB-CB 4.31Å; N36-I39 HydrophobicContact CB-CG1 3.79Å; N36-I39 PolarHBondContact O-N 2.8Å; N36-R40 PolarHBondContact O-N 3.33Å; N36-F147 HydrophobicContact CB-CE1 4.12Å; N36-F147 HydrophobicContact CB-CZ 4.33Å; N36-F147 WeakPolarHBondContact ND2-CG 3.44Å
37	E	82.9	Confident	72	Confident	121 Å²	121	59.8 Å²	59.8	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-64.6	-37.1	-178.8	-163.4	-170.7	146.3	0	0	113	I39 R40 V41 R140	E37-I39 VanDerWaalsContact C-N 3.25Å; E37-I39 PolarHBondContact O-N 3.14Å; E37-R40 PolarHBondContact O-N 2.9Å; E37-V41 PolarHBondContact O-N 2.98Å; E37-R140 IonicContact OE1-CZ 3.64Å; E37-R140 IonicContact OE1-NH1 3.59Å; E37-R140 PolarHBondContact OE1-NH1 2.85Å; E37-R140 IonicContact OE1-NH2 3.68Å
38	D	86.5	Confident	74.2	Confident	17 Å²	17	57.7 Å²	57.7	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-36.4	178.7	-66.3	-38	0	0	0	110.8	N36 V41 M42 R140 R143	N36-D38 PolarHBondContact O-N 3.23Å; N36-D38 WeakPolarHBondContact OD1-CB 3.3Å; N36-D38 PolarHBondContact OD1-N 3.26Å; D38-V41 PolarHBondContact O-N 3.18Å; D38-M42 WeakPolarHBondContact O-CG 3.43Å; D38-M42 PolarHBondContact O-N 3.23Å; D38-R140 WeakPolarHBondContact OD1-CG 3.34Å; D38-R143 IonicContact OD1-CZ 3.66Å; D38-R143 IonicContact OD1-NE 3.76Å; D38-R143 IonicContact OD1-NH2 3.54Å; D38-R143 PolarHBondContact OD1-NH2 2.78Å; D38-R143 VanDerWaalsContact OD2-CB 3.27Å; D38-R143 WeakPolarHBondContact OD2-CB 3.2Å; D38-R143 IonicContact OD2-CZ 2.74Å; D38-R143 IonicContact OD2-NE 3.8Å; D38-R143 PolarHBondContact OD2-NE 3.01Å; D38-R143 IonicContact OD2-NH2 3.73Å
39	I	85.1	Confident	76.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69	-40.3	178.5	-58	-55.2	0	0	0	111.8	I33 N36 E37 V41 M42 M43 L64 F147 L148	I33-I39 HydrophobicContact CG2-CB 4.49Å; I33-I39 HydrophobicContact CG2-CG2 3.62Å; N36-I39 HydrophobicContact CB-CB 4.31Å; N36-I39 HydrophobicContact CB-CG1 3.79Å; N36-I39 PolarHBondContact O-N 2.8Å; E37-I39 VanDerWaalsContact C-N 3.25Å; E37-I39 PolarHBondContact O-N 3.14Å; I39-V41 PolarHBondContact O-N 3.16Å; I39-M42 HydrophobicContact CD1-SD 4.03Å; I39-M42 PolarHBondContact O-N 3.15Å; I39-M42 VanDerWaalsContact O-N 3.12Å; I39-M43 HydrophobicContact CG2-CG 4.4Å; I39-M43 HydrophobicContact CG2-SD 4.36Å; I39-M43 WeakPolarHBondContact O-CG 3.36Å; I39-M43 PolarHBondContact O-N 3.27Å; I39-L64 HydrophobicContact CG2-CD2 3.6Å; I39-F147 HydrophobicContact CD1-CD1 4.1Å; I39-F147 HydrophobicContact CG1-CD1 4.03Å; I39-F147 HydrophobicContact CG1-CE1 4.33Å; I39-L148 HydrophobicContact CD1-CD1 3.86Å; I39-L148 HydrophobicContact CD1-CD2 3.77Å; I39-L148 HydrophobicContact CD1-CG 3.55Å; I39-L148 HydrophobicContact CG1-CD2 4.42Å
40	R	83.4	Confident	78.4	Confident	128 Å²	128	52.4 Å²	52.4	48%	0.483	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-38.7	175.5	-64.7	-179	-174.8	173.6	3.8	111.3	L34 N36 E37 M43 Q44	L34-R40 PolarHBondContact O-NE 2.82Å; L34-R40 PolarHBondContact O-NH2 2.89Å; N36-R40 PolarHBondContact O-N 3.33Å; E37-R40 PolarHBondContact O-N 2.9Å; R40-M43 PolarHBondContact O-N 2.7Å; R40-Q44 WeakPolarHBondContact O-CG 3.41Å; R40-Q44 PolarHBondContact O-N 2.84Å; R40-Q44 VanDerWaalsContact O-N 3.11Å
41	V	84.8	Confident	80.3	Confident	29 Å²	29	42 Å²	42	18%	0.176	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-43.6	174.6	174.3	0	0	0	0	111.3	E37 D38 I39 M43 Q44 G45	E37-V41 PolarHBondContact O-N 2.98Å; D38-V41 PolarHBondContact O-N 3.18Å; I39-V41 PolarHBondContact O-N 3.16Å; V41-M43 VanDerWaalsContact C-N 3.26Å; V41-M43 PolarHBondContact O-N 2.68Å; V41-Q44 PolarHBondContact O-N 2.91Å; V41-Q44 VanDerWaalsContact O-N 3.16Å; V41-G45 PolarHBondContact O-N 2.76Å
42	M	88.9	Confident	81.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-35.4	175.5	-68.8	175.4	62.4	0	0	112.5	D38 I39 G45 L64 W141 G144 L145 L148	D38-M42 WeakPolarHBondContact O-CG 3.43Å; D38-M42 PolarHBondContact O-N 3.23Å; I39-M42 HydrophobicContact CD1-SD 4.03Å; I39-M42 PolarHBondContact O-N 3.15Å; I39-M42 VanDerWaalsContact O-N 3.12Å; M42-G45 PolarHBondContact O-N 2.92Å; M42-L64 HydrophobicContact CB-CB 3.87Å; M42-L64 HydrophobicContact CB-CD2 4.42Å; M42-L64 HydrophobicContact CE-CD1 4.49Å; M42-L64 PolarHBondContact O-N 3.4Å; M42-W141 HydrophobicContact CB-CH2 4.39Å; M42-W141 HydrophobicContact CB-CZ2 4.28Å; M42-W141 HydrophobicContact CE-CE3 3.83Å; M42-W141 HydrophobicContact CE-CZ3 3.81Å; M42-W141 HydrophobicContact CG-CD2 3.87Å; M42-W141 HydrophobicContact CG-CE3 4.11Å; M42-W141 HydrophobicContact CG-CG 4.27Å; M42-W141 HydrophobicContact CG-CH2 4.44Å; M42-W141 HydrophobicContact CG-CZ2 4.24Å; M42-W141 HydrophobicContact CG-CZ3 4.38Å; M42-W141 HydrophobicContact SD-CE3 4.44Å; M42-G144 VanDerWaalsContact SD-CA 3.56Å; M42-L145 HydrophobicContact CE-CD2 3.79Å; M42-L145 HydrophobicContact CE-CG 3.87Å; M42-L148 HydrophobicContact CE-CD1 4.14Å
43	M	84.7	Confident	82.6	Confident	40 Å²	40	49.2 Å²	49.2	20%	0.197	25%	0.25	C	S	.	.	H	α-helix	trans	-71.7	-28.3	176.3	-68.4	-179.5	77.2	0	0	113.5	L34 I39 R40 V41 Q63 L64	L34-M43 HydrophobicContact CD2-SD 4.03Å; I39-M43 HydrophobicContact CG2-CG 4.4Å; I39-M43 HydrophobicContact CG2-SD 4.36Å; I39-M43 WeakPolarHBondContact O-CG 3.36Å; I39-M43 PolarHBondContact O-N 3.27Å; R40-M43 PolarHBondContact O-N 2.7Å; V41-M43 VanDerWaalsContact C-N 3.26Å; V41-M43 PolarHBondContact O-N 2.68Å; M43-Q63 VanDerWaalsContact O-CG 3.3Å; M43-Q63 WeakPolarHBondContact O-CG 3.23Å; M43-Q63 PolarHBondContact O-NE2 3.36Å; M43-L64 HydrophobicContact CG-CB 4.14Å; M43-L64 HydrophobicContact CG-CD2 3.98Å; M43-L64 HydrophobicContact CG-CG 4.35Å
44	Q	85.8	Confident	83	Confident	152 Å²	152	53.6 Å²	53.6	71%	0.71	27%	0.273	S	S	*	.	H	α-helix	trans	-69.9	-28	171.1	-70.6	170.4	2.1	0	0	111.7	R40 V41	R40-Q44 WeakPolarHBondContact O-CG 3.41Å; R40-Q44 PolarHBondContact O-N 2.84Å; R40-Q44 VanDerWaalsContact O-N 3.11Å; V41-Q44 PolarHBondContact O-N 2.91Å; V41-Q44 VanDerWaalsContact O-N 3.16Å
45	G	86.1	Confident	83.7	Confident	29 Å²	29	63.8 Å²	63.8	30%	0.299	31%	0.309	S	S	.	.			trans	87.3	155.3	179.2	0	0	0	0	0	113	V41 M42 L62	V41-G45 PolarHBondContact O-N 2.76Å; M42-G45 PolarHBondContact O-N 2.92Å; G45-L62 CarbonylContact C-O 3.49Å; G45-L62 WeakPolarHBondContact CA-O 3.32Å
46	C	87.5	Confident	84.3	Confident	9 Å²	9	61.3 Å²	61.3	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.2	-178.4	178.2	0	0	0	0	110.3	M48 L62 E137 W141	C46-M48 HydrophobicContact CB-CE 3.87Å; C46-L62 PolarHBondContact N-O 2.84Å; C46-L62 PolarHBondContact O-N 2.91Å; C46-E137 PolarHBondContact SG-OE1 3.35Å; C46-W141 HydrophobicContact CB-CZ2 4.07Å
47	S	88.6	Confident	84.7	Confident	65 Å²	65	63.4 Å²	63.4	46%	0.455	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.3	173.1	-159.7	0	0	0	0	109.7	P133	S47-P133 VanDerWaalsContact O-CD 3.23Å; S47-P133 WeakPolarHBondContact O-CD 3.28Å; S47-P133 WeakPolarHBondContact O-CG 3.46Å
48	M	91.1	Very high	84.9	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.3	-177	-57.9	-175.4	177.2	0	0	111.1	C46 N59 R60 L62 F117 L130 C132 W141	C46-M48 HydrophobicContact CB-CE 3.87Å; M48-N59 CarbonylContact O-C 3.47Å; M48-N59 WeakPolarHBondContact O-CA 3.44Å; M48-R60 PolarHBondContact N-O 3.16Å; M48-R60 PolarHBondContact O-N 3.48Å; M48-R60 VanDerWaalsContact O-O 3.1Å; M48-L62 HydrophobicContact SD-CD2 4.39Å; M48-F117 HydrophobicContact CE-CE1 4.22Å; M48-F117 HydrophobicContact CE-CZ 4.3Å; M48-F117 HydrophobicContact SD-CE1 4.01Å; M48-F117 HydrophobicContact SD-CZ 4.01Å; M48-L130 HydrophobicContact CB-CD2 4.36Å; M48-L130 HydrophobicContact SD-CB 4.36Å; M48-L130 HydrophobicContact SD-CD1 4.08Å; M48-C132 WeakPolarHBondContact CE-SG 3.29Å; M48-C132 VanDerWaalsContact SD-SG 3.64Å; M48-W141 HydrophobicContact CE-CB 4.12Å; M48-W141 HydrophobicContact CE-CD2 3.46Å; M48-W141 VanDerWaalsContact CE-CD2 3.46Å; M48-W141 VanDerWaalsContact CE-CE2 3.46Å; M48-W141 HydrophobicContact CE-CE3 4.28Å; M48-W141 HydrophobicContact CE-CG 3.33Å; M48-W141 HydrophobicContact CE-CZ2 4.27Å; M48-W141 VanDerWaalsContact CE-NE1 3.3Å
49	V	89	Confident	84.9	Confident	30 Å²	30	67 Å²	67	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117	173.4	-169.8	0	0	0	0	109.1	Q57 N59 L130 K131	V49-Q57 HydrophobicContact CG1-CB 3.86Å; V49-N59 WeakPolarHBondContact CG2-OD1 3.46Å; V49-L130 WeakPolarHBondContact O-CA 3.41Å; V49-K131 HydrophobicContact CB-CB 4.22Å; V49-K131 PolarHBondContact N-O 2.75Å; V49-K131 PolarHBondContact O-N 3.16Å
50	K	89.9	Confident	85	Confident	19 Å²	19	68.3 Å²	68.3	8%	0.083	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.2	169.3	-177	176.9	-177.9	156.9	0	109.8	W56 Q57 K58 R60 L128 D129 L130	K50-W56 HydrophobicContact CB-CZ3 4.29Å; K50-W56 HydrophobicContact CD-CH2 4.28Å; K50-W56 HydrophobicContact CD-CZ3 4.12Å; K50-W56 HydrophobicContact CG-CZ3 3.96Å; K50-Q57 WeakPolarHBondContact O-CA 3.47Å; K50-K58 PolarHBondContact N-O 3.3Å; K50-K58 PolarHBondContact O-N 3.44Å; K50-R60 HydrophobicContact CB-CG 3.72Å; K50-R60 HydrophobicContact CD-CG 4.35Å; K50-L128 HydrophobicContact CD-CD1 3.56Å; K50-L128 HydrophobicContact CG-CD1 3.7Å; K50-D129 WeakPolarHBondContact CA-O 3.35Å; K50-L130 HydrophobicContact CB-CD2 4.28Å
51	V	86	Confident	85.2	Confident	1 Å²	1	64 Å²	64	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.8	179.2	-176.3	0	0	0	0	109	Q57 A103 L104 L107 D129	V51-Q57 HydrophobicContact CG2-CG 4.44Å; V51-A103 HydrophobicContact CG1-CB 4.42Å; V51-L104 HydrophobicContact CB-CD2 3.98Å; V51-L104 HydrophobicContact CG1-CD2 4.27Å; V51-L104 HydrophobicContact CG2-CD2 3.93Å; V51-L107 HydrophobicContact CB-CD1 4.3Å; V51-L107 HydrophobicContact CG1-CD1 3.58Å; V51-L107 HydrophobicContact CG2-CD1 3.76Å; V51-D129 HydrophobicContact CB-CB 4.2Å; V51-D129 PolarHBondContact N-O 3.19Å
52	R	80.9	Confident	85.4	Confident	148 Å²	148	62.7 Å²	62.7	56%	0.558	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	-27	166.9	-74.2	-177.1	169.2	178.7	-1.1	112.4	W56	R52-W56 HydrophobicContact CB-CB 4.24Å; R52-W56 HydrophobicContact CB-CD2 4.1Å; R52-W56 HydrophobicContact CB-CE3 3.6Å; R52-W56 HydrophobicContact CB-CG 4.39Å; R52-W56 HydrophobicContact CB-CZ3 4.33Å; R52-W56 HydrophobicContact CG-CD2 4.25Å; R52-W56 HydrophobicContact CG-CE3 3.52Å; R52-W56 HydrophobicContact CG-CZ3 3.74Å; R52-W56 PolarHBondContact N-O 3.06Å
53	S	77.4	Confident	85.5	Confident	48 Å²	48	66 Å²	66	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	170.9	174	66	0	0	0	0	108.6	R55 W56	S53-R55 PolarHBondContact O-N 2.83Å; S53-R55 VanDerWaalsContact O-N 3.12Å; S53-R55 PolarHBondContact OG-N 3.24Å; S53-W56 PolarHBondContact N-O 3.36Å; S53-W56 CarbonylContact O-C 3.58Å; S53-W56 PolarHBondContact O-N 3.24Å; S53-W56 PolarHBondContact OG-N 3.16Å
54	L	72.8	Confident	85.4	Confident	94 Å²	94	64.2 Å²	64.2	49%	0.492	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-40.2	172.4	-78.8	161	0	0	0	112.8	Q57 L106 L107	L54-Q57 PolarHBondContact O-NE2 3.08Å; L54-Q57 VanDerWaalsContact O-NE2 3.1Å; L54-L106 HydrophobicContact CD1-CB 4.13Å; L54-L106 HydrophobicContact CD1-CD1 4.32Å; L54-L106 HydrophobicContact CD2-CB 4.32Å; L54-L106 HydrophobicContact CG-CB 3.98Å; L54-L106 HydrophobicContact CG-CD1 4.46Å; L54-L107 HydrophobicContact CD2-CD2 3.84Å
55	R	76.7	Confident	85.1	Confident	248 Å²	248	59.9 Å²	59.9	94%	0.936	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-17.8	-177.7	-61.4	-176.5	-176.5	-179	1.7	113.8	S53	S53-R55 PolarHBondContact O-N 2.83Å; S53-R55 VanDerWaalsContact O-N 3.12Å; S53-R55 PolarHBondContact OG-N 3.24Å
56	W	83.6	Confident	84.1	Confident	75 Å²	75	64.4 Å²	64.4	28%	0.284	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	97.5	-178.2	-160.8	99.4	0	0	0	110.3	K50 R52 S53 K58	K50-W56 HydrophobicContact CB-CZ3 4.29Å; K50-W56 HydrophobicContact CD-CH2 4.28Å; K50-W56 HydrophobicContact CD-CZ3 4.12Å; K50-W56 HydrophobicContact CG-CZ3 3.96Å; R52-W56 HydrophobicContact CB-CB 4.24Å; R52-W56 HydrophobicContact CB-CD2 4.1Å; R52-W56 HydrophobicContact CB-CE3 3.6Å; R52-W56 HydrophobicContact CB-CG 4.39Å; R52-W56 HydrophobicContact CB-CZ3 4.33Å; R52-W56 HydrophobicContact CG-CD2 4.25Å; R52-W56 HydrophobicContact CG-CE3 3.52Å; R52-W56 HydrophobicContact CG-CZ3 3.74Å; R52-W56 PolarHBondContact N-O 3.06Å; S53-W56 PolarHBondContact N-O 3.36Å; S53-W56 CarbonylContact O-C 3.58Å; S53-W56 PolarHBondContact O-N 3.24Å; S53-W56 PolarHBondContact OG-N 3.16Å; W56-K58 HydrophobicContact CD2-CG 4.14Å; W56-K58 HydrophobicContact CE3-CG 4.22Å; W56-K58 HydrophobicContact CH2-CB 3.95Å; W56-K58 HydrophobicContact CH2-CG 3.71Å; W56-K58 HydrophobicContact CZ2-CB 4.35Å; W56-K58 HydrophobicContact CZ2-CG 3.62Å; W56-K58 HydrophobicContact CZ3-CB 4.1Å; W56-K58 HydrophobicContact CZ3-CG 4.01Å
57	Q	88.3	Confident	82.9	Confident	76 Å²	76	66 Å²	66	36%	0.355	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	175.3	-60.6	-177.1	49.4	0	0	107.8	V49 K50 V51 L54	V49-Q57 HydrophobicContact CG1-CB 3.86Å; K50-Q57 WeakPolarHBondContact O-CA 3.47Å; V51-Q57 HydrophobicContact CG2-CG 4.44Å; L54-Q57 PolarHBondContact O-NE2 3.08Å; L54-Q57 VanDerWaalsContact O-NE2 3.1Å
58	K	85.7	Confident	81.9	Confident	103 Å²	103	62.9 Å²	62.9	45%	0.448	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	132.7	-176.6	-64.9	-67.2	179.8	-172.2	0	111.4	K50 W56	K50-K58 PolarHBondContact N-O 3.3Å; K50-K58 PolarHBondContact O-N 3.44Å; W56-K58 HydrophobicContact CD2-CG 4.14Å; W56-K58 HydrophobicContact CE3-CG 4.22Å; W56-K58 HydrophobicContact CH2-CB 3.95Å; W56-K58 HydrophobicContact CH2-CG 3.71Å; W56-K58 HydrophobicContact CZ2-CB 4.35Å; W56-K58 HydrophobicContact CZ2-CG 3.62Å; W56-K58 HydrophobicContact CZ3-CB 4.1Å; W56-K58 HydrophobicContact CZ3-CG 4.01Å
59	N	86.6	Confident	81	Confident	111 Å²	111	63.3 Å²	63.3	59%	0.594	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.1	173.5	-63.5	-9.9	0	0	0	110.7	M48 V49	M48-N59 CarbonylContact O-C 3.47Å; M48-N59 WeakPolarHBondContact O-CA 3.44Å; V49-N59 WeakPolarHBondContact CG2-OD1 3.46Å
60	R	87.3	Confident	80.3	Confident	27 Å²	27	62.9 Å²	62.9	10%	0.102	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.4	-176.1	-65.6	-69.9	178	-94.3	7.7	108.1	M48 K50 L62 E74	M48-R60 PolarHBondContact N-O 3.16Å; M48-R60 PolarHBondContact O-N 3.48Å; M48-R60 VanDerWaalsContact O-O 3.1Å; K50-R60 HydrophobicContact CB-CG 3.72Å; K50-R60 HydrophobicContact CD-CG 4.35Å; R60-L62 HydrophobicContact CB-CD1 3.71Å; R60-E74 WeakPolarHBondContact CD-O 3.47Å; R60-E74 PolarHBondContact NE-O 3.25Å
61	S	87.3	Confident	80	Confident	38 Å²	38	62 Å²	62	27%	0.266	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.9	167.3	-48.9	0	0	0	0	108.6	E74	S61-E74 WeakPolarHBondContact CB-OE2 3.47Å; S61-E74 PolarHBondContact N-OE2 3.21Å; S61-E74 PolarHBondContact O-N 3.16Å; S61-E74 PolarHBondContact OG-OE2 3.12Å
62	L	90.4	Very high	80	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.7	173.8	-80.5	70.6	0	0	0	109.1	G45 C46 M48 R60 W72 C73 L128 L130 W141	G45-L62 CarbonylContact C-O 3.49Å; G45-L62 WeakPolarHBondContact CA-O 3.32Å; C46-L62 PolarHBondContact N-O 2.84Å; C46-L62 PolarHBondContact O-N 2.91Å; M48-L62 HydrophobicContact SD-CD2 4.39Å; R60-L62 HydrophobicContact CB-CD1 3.71Å; L62-W72 VanDerWaalsContact CA-O 3.26Å; L62-W72 WeakPolarHBondContact CA-O 2.78Å; L62-C73 HydrophobicContact CG-CB 4.34Å; L62-L128 HydrophobicContact CD2-CD2 4.45Å; L62-L130 HydrophobicContact CD2-CD1 3.7Å; L62-L130 HydrophobicContact CD2-CD2 4.38Å; L62-W141 HydrophobicContact CB-CH2 3.57Å; L62-W141 HydrophobicContact CB-CZ2 4.08Å; L62-W141 HydrophobicContact CB-CZ3 4.08Å; L62-W141 HydrophobicContact CD2-CZ3 4.35Å; L62-W141 WeakPolarHBondContact O-CZ2 3.26Å
63	Q	89.4	Confident	80.1	Confident	70 Å²	70	58.3 Å²	58.3	33%	0.327	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.5	179.3	-168.6	179.8	11.5	0	0	110.2	M43 V71 W72	M43-Q63 VanDerWaalsContact O-CG 3.3Å; M43-Q63 WeakPolarHBondContact O-CG 3.23Å; M43-Q63 PolarHBondContact O-NE2 3.36Å; Q63-V71 CarbonylContact O-C 3.41Å; Q63-V71 WeakPolarHBondContact O-CA 3.49Å; Q63-W72 HydrophobicContact CB-CE3 3.84Å; Q63-W72 HydrophobicContact CB-CZ3 4.47Å; Q63-W72 PolarHBondContact N-O 3.04Å; Q63-W72 PolarHBondContact O-N 3.26Å
64	L	83	Confident	80.2	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.4	167.1	-172.9	72.2	0	0	0	108.8	I39 M42 M43 V71 L148	I39-L64 HydrophobicContact CG2-CD2 3.6Å; M42-L64 HydrophobicContact CB-CB 3.87Å; M42-L64 HydrophobicContact CB-CD2 4.42Å; M42-L64 HydrophobicContact CE-CD1 4.49Å; M42-L64 PolarHBondContact O-N 3.4Å; M43-L64 HydrophobicContact CG-CB 4.14Å; M43-L64 HydrophobicContact CG-CD2 3.98Å; M43-L64 HydrophobicContact CG-CG 4.35Å; L64-V71 HydrophobicContact CD1-CG2 3.85Å; L64-L148 HydrophobicContact CD1-CD1 3.75Å; L64-L148 HydrophobicContact CD2-CD1 3.8Å; L64-L148 HydrophobicContact CG-CD1 4.46Å
65	L	79.3	Confident	79.8	Confident	61 Å²	61	56.8 Å²	56.8	32%	0.319	26%	0.263	S	S	.	.			trans	-71.9	167.6	179.2	-62.1	-176.3	0	0	0	111	D67 G68 T70 W72	L65-D67 PolarHBondContact O-N 2.69Å; L65-D67 VanDerWaalsContact O-N 3.12Å; L65-G68 PolarHBondContact O-N 2.88Å; L65-T70 WeakPolarHBondContact CB-O 3.03Å; L65-T70 HydrophobicContact CD1-CG2 3.77Å; L65-T70 HydrophobicContact CG-CG2 4.47Å; L65-T70 PolarHBondContact N-O 3.47Å; L65-W72 HydrophobicContact CD2-CB 3.81Å; L65-W72 HydrophobicContact CG-CB 4.15Å
66	E	66.4	Low	78.9	Confident	123 Å²	123	52.5 Å²	52.5	58%	0.575	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.2	178.8	-70	-180	175.6	0	0	113.1	I28 G68 K170	I28-E66 WeakPolarHBondContact CD1-O 3.41Å; I28-E66 WeakPolarHBondContact CG1-O 3.4Å; E66-G68 PolarHBondContact O-N 3.13Å; E66-K170 IonicContact OE2-NZ 3.89Å; E66-K170 PolarHBondContact OE2-NZ 3.36Å
67	D	60.4	Low	77.2	Confident	43 Å²	43	54.1 Å²	54.1	23%	0.23	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	171.2	72	1.7	0	0	0	112	L65 L69 T70 H163	L65-D67 PolarHBondContact O-N 2.69Å; L65-D67 VanDerWaalsContact O-N 3.12Å; D67-L69 PolarHBondContact O-N 3.11Å; D67-L69 VanDerWaalsContact O-N 3.1Å; D67-L69 PolarHBondContact OD1-N 3.3Å; D67-T70 WeakPolarHBondContact OD1-CB 3.33Å; D67-T70 PolarHBondContact OD1-N 3.49Å; D67-T70 WeakPolarHBondContact OD2-CB 3.3Å; D67-T70 PolarHBondContact OD2-OG1 3.46Å; D67-H163 PolarHBondContact O-CE1 2.89Å; D67-H163 PolarHBondContact O-NE2 3.38Å
68	G	68.6	Low	75	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	69.4	4.7	178.2	0	0	0	0	0	114	L65 E66 L148	L65-G68 PolarHBondContact O-N 2.88Å; E66-G68 PolarHBondContact O-N 3.13Å; G68-L148 VanDerWaalsContact O-CD2 3.27Å; G68-L148 WeakPolarHBondContact O-CD2 3.35Å
69	L	71.4	Confident	72.9	Confident	11 Å²	11	62.6 Å²	62.6	6%	0.058	32%	0.315	C	S	.	.	S	Bend	trans	-129	-14.8	179.1	-67.5	-170.7	0	0	0	113.4	D67 T88 V89 V152 M155 H163	D67-L69 PolarHBondContact O-N 3.11Å; D67-L69 VanDerWaalsContact O-N 3.1Å; D67-L69 PolarHBondContact OD1-N 3.3Å; L69-T88 CarbonylContact O-C 3.31Å; L69-T88 WeakPolarHBondContact O-CA 3.31Å; L69-V89 WeakPolarHBondContact O-CG2 3.36Å; L69-V89 PolarHBondContact O-N 2.98Å; L69-V152 HydrophobicContact CD1-CG2 4.03Å; L69-V152 HydrophobicContact CD2-CG2 3.33Å; L69-V152 HydrophobicContact CG-CG2 4.34Å; L69-M155 HydrophobicContact CD1-SD 4.34Å; L69-H163 VanDerWaalsContact CD1-CD2 3.41Å; L69-H163 WeakPolarHBondContact CD1-CD2 3.36Å
70	T	76	Confident	70.6	Confident	20 Å²	20	66.8 Å²	66.8	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.7	179.6	-58.8	0	0	0	0	110.5	L65 D67 T86	L65-T70 WeakPolarHBondContact CB-O 3.03Å; L65-T70 HydrophobicContact CD1-CG2 3.77Å; L65-T70 HydrophobicContact CG-CG2 4.47Å; L65-T70 PolarHBondContact N-O 3.47Å; D67-T70 WeakPolarHBondContact OD1-CB 3.33Å; D67-T70 PolarHBondContact OD1-N 3.49Å; D67-T70 WeakPolarHBondContact OD2-CB 3.3Å; D67-T70 PolarHBondContact OD2-OG1 3.46Å; T70-T86 HydrophobicContact CG2-CG2 4.13Å
71	V	83	Confident	68.4	Low	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.2	173.9	-178.4	0	0	0	0	108.8	Q63 L64 T86 F87 W141 L145	Q63-V71 CarbonylContact O-C 3.41Å; Q63-V71 WeakPolarHBondContact O-CA 3.49Å; L64-V71 HydrophobicContact CD1-CG2 3.85Å; V71-T86 CarbonylContact O-C 3.48Å; V71-T86 WeakPolarHBondContact O-CA 3.14Å; V71-F87 HydrophobicContact CB-CD1 4.17Å; V71-F87 HydrophobicContact CB-CD2 4.2Å; V71-F87 HydrophobicContact CB-CE1 3.71Å; V71-F87 HydrophobicContact CB-CE2 3.75Å; V71-F87 HydrophobicContact CB-CG 4.41Å; V71-F87 HydrophobicContact CB-CZ 3.49Å; V71-F87 VanDerWaalsContact CB-CZ 3.49Å; V71-F87 HydrophobicContact CG1-CD1 4.43Å; V71-F87 HydrophobicContact CG1-CE1 3.62Å; V71-F87 HydrophobicContact CG1-CE2 4.33Å; V71-F87 HydrophobicContact CG1-CZ 3.57Å; V71-F87 HydrophobicContact CG2-CE2 3.86Å; V71-F87 HydrophobicContact CG2-CZ 3.9Å; V71-F87 PolarHBondContact N-O 3.38Å; V71-F87 PolarHBondContact O-N 2.84Å; V71-W141 HydrophobicContact CG1-CH2 4.3Å; V71-W141 HydrophobicContact CG1-CZ3 4Å; V71-L145 HydrophobicContact CG2-CD2 4.17Å
72	W	86.1	Confident	66.3	Low	69 Å²	69	76.9 Å²	76.9	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.1	170.8	172.2	74.8	0	0	0	110.8	L62 Q63 L65 E74	L62-W72 VanDerWaalsContact CA-O 3.26Å; L62-W72 WeakPolarHBondContact CA-O 2.78Å; Q63-W72 HydrophobicContact CB-CE3 3.84Å; Q63-W72 HydrophobicContact CB-CZ3 4.47Å; Q63-W72 PolarHBondContact N-O 3.04Å; Q63-W72 PolarHBondContact O-N 3.26Å; L65-W72 HydrophobicContact CD2-CB 3.81Å; L65-W72 HydrophobicContact CG-CB 4.15Å; W72-E74 HydrophobicContact CH2-CB 3.8Å; W72-E74 HydrophobicContact CH2-CG 4.13Å; W72-E74 HydrophobicContact CZ2-CB 3.84Å; W72-E74 HydrophobicContact CZ2-CG 4.11Å; W72-E74 HydrophobicContact CZ3-CB 4.47Å
73	C	81.7	Confident	64	Low	4 Å²	4	81.2 Å²	81.2	3%	0.027	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121	174	-169.4	0	0	0	0	110.8	L62 Q85	L62-C73 HydrophobicContact CG-CB 4.34Å; C73-Q85 WeakPolarHBondContact CA-O 3.48Å; C73-Q85 WeakPolarHBondContact CB-O 3.48Å; C73-Q85 PolarHBondContact N-O 2.78Å; C73-Q85 VanDerWaalsContact O-O 3.1Å
74	E	79.4	Confident	62.3	Low	52 Å²	52	84.9 Å²	84.9	24%	0.243	44%	0.435	C	S	.	.			trans	-64.3	132.6	-178.5	-169.4	-169.5	174.3	0	0	112.7	R60 S61 W72 K76	R60-E74 WeakPolarHBondContact CD-O 3.47Å; R60-E74 PolarHBondContact NE-O 3.25Å; S61-E74 WeakPolarHBondContact CB-OE2 3.47Å; S61-E74 PolarHBondContact N-OE2 3.21Å; S61-E74 PolarHBondContact O-N 3.16Å; S61-E74 PolarHBondContact OG-OE2 3.12Å; W72-E74 HydrophobicContact CH2-CB 3.8Å; W72-E74 HydrophobicContact CH2-CG 4.13Å; W72-E74 HydrophobicContact CZ2-CB 3.84Å; W72-E74 HydrophobicContact CZ2-CG 4.11Å; W72-E74 HydrophobicContact CZ3-CB 4.47Å; E74-K76 VanDerWaalsContact OE1-CE 3.22Å; E74-K76 WeakPolarHBondContact OE1-CE 3.21Å
75	T	66.1	Low	61.7	Low	57 Å²	57	88.3 Å²	88.3	35%	0.35	45%	0.451	S	S	.	.			trans	-116.6	137	172.6	36.3	0	0	0	0	111.8	S83 Q85	T75-S83 PolarHBondContact OG1-O 2.87Å; T75-S83 VanDerWaalsContact OG1-O 3.06Å; T75-Q85 HydrophobicContact CG2-CB 3.91Å
76	K	56.3	Low	61.6	Low	158 Å²	158	88 Å²	88	69%	0.687	45%	0.452	S	S	*	.			trans	-116.6	85.9	173.5	-70.2	-171.1	178.7	179.6	0	111.4	E74	E74-K76 VanDerWaalsContact OE1-CE 3.22Å; E74-K76 WeakPolarHBondContact OE1-CE 3.21Å
77	S	48.7	Very low	62.2	Low	109 Å²	109	82.4 Å²	82.4	76%	0.762	43%	0.426	S	S	*	.			trans	168.6	142.8	149.7	64.9	0	0	0	0	110
78	S	41.1	Very low	62.9	Low	98 Å²	98	82.4 Å²	82.4	69%	0.685	43%	0.427	S	S	*	.			cis	-174.4	147.8	-12.4	50	0	0	0	0	108.4	K80	S78-K80 VanDerWaalsContact C-N 3.3Å; S78-K80 PolarHBondContact O-N 3.32Å
79	R	42.1	Very low	63.5	Low	259 Å²	259	82.4 Å²	82.4	98%	0.977	43%	0.427	S	S	*	.	S	Bend	trans	56.7	-8	162.5	-72.5	-173.7	179.9	175.1	0.6	121.7
80	K	39.2	Very low	63.4	Low	200 Å²	200	84.7 Å²	84.7	87%	0.87	44%	0.438	S	S	*	.	S	Bend	trans	-133.4	89.5	165.4	-83.7	-172.3	176.2	-178.2	0	110.3	S78	S78-K80 VanDerWaalsContact C-N 3.3Å; S78-K80 PolarHBondContact O-N 3.32Å
81	G	41.3	Very low	63.3	Low	71 Å²	71	86.6 Å²	86.6	73%	0.732	45%	0.446	S	S	*	.			trans	64.2	150.1	173.5	0	0	0	0	0	115	S83	G81-S83 PolarHBondContact O-N 2.94Å; G81-S83 VanDerWaalsContact O-N 3.08Å
82	K	42.3	Very low	63.2	Low	206 Å²	206	86.6 Å²	86.6	90%	0.896	45%	0.446	S	S	*	.			trans	-74.1	92.7	166.3	-69.1	177.2	-179.8	176.5	0	107.3	Q84	K82-Q84 PolarHBondContact O-N 3.37Å; K82-Q84 VanDerWaalsContact O-N 3.15Å
83	S	42.3	Very low	62.8	Low	92 Å²	92	86.8 Å²	86.8	64%	0.643	45%	0.452	S	S	*	.			trans	-72.5	107	167.1	62.3	0	0	0	0	108.3	T75 G81 Q85	T75-S83 PolarHBondContact OG1-O 2.87Å; T75-S83 VanDerWaalsContact OG1-O 3.06Å; G81-S83 PolarHBondContact O-N 2.94Å; G81-S83 VanDerWaalsContact O-N 3.08Å; S83-Q85 PolarHBondContact O-N 2.98Å
84	Q	54.7	Low	62.8	Low	148 Å²	148	88.5 Å²	88.5	69%	0.692	46%	0.464	S	S	*	.			trans	-68.2	122.9	177.8	-64.6	173.6	-12.6	0	0	108.4	K82	K82-Q84 PolarHBondContact O-N 3.37Å; K82-Q84 VanDerWaalsContact O-N 3.15Å
85	Q	69.8	Low	63.3	Low	74 Å²	74	86.5 Å²	86.5	35%	0.346	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	102.6	172.3	-176.1	165	51.2	0	0	109	C73 T75 S83	C73-Q85 WeakPolarHBondContact CA-O 3.48Å; C73-Q85 WeakPolarHBondContact CB-O 3.48Å; C73-Q85 PolarHBondContact N-O 2.78Å; C73-Q85 VanDerWaalsContact O-O 3.1Å; T75-Q85 HydrophobicContact CG2-CB 3.91Å; S83-Q85 PolarHBondContact O-N 2.98Å
86	T	76.8	Confident	64.2	Low	54 Å²	54	84.7 Å²	84.7	33%	0.331	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	164.8	173.4	56.3	0	0	0	0	111	T70 V71 R125	T70-T86 HydrophobicContact CG2-CG2 4.13Å; V71-T86 CarbonylContact O-C 3.48Å; V71-T86 WeakPolarHBondContact O-CA 3.14Å; T86-R125 PolarHBondContact O-NH2 3.06Å
87	F	78.1	Confident	65.7	Low	6 Å²	6	80.8 Å²	80.8	3%	0.026	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146	160.8	64.3	-90.9	0	0	0	109.5	V71 V92 F121 L128 L145	V71-F87 HydrophobicContact CB-CD1 4.17Å; V71-F87 HydrophobicContact CB-CD2 4.2Å; V71-F87 HydrophobicContact CB-CE1 3.71Å; V71-F87 HydrophobicContact CB-CE2 3.75Å; V71-F87 HydrophobicContact CB-CG 4.41Å; V71-F87 HydrophobicContact CB-CZ 3.49Å; V71-F87 VanDerWaalsContact CB-CZ 3.49Å; V71-F87 HydrophobicContact CG1-CD1 4.43Å; V71-F87 HydrophobicContact CG1-CE1 3.62Å; V71-F87 HydrophobicContact CG1-CE2 4.33Å; V71-F87 HydrophobicContact CG1-CZ 3.57Å; V71-F87 HydrophobicContact CG2-CE2 3.86Å; V71-F87 HydrophobicContact CG2-CZ 3.9Å; V71-F87 PolarHBondContact N-O 3.38Å; V71-F87 PolarHBondContact O-N 2.84Å; F87-V92 HydrophobicContact CD2-CG2 4.1Å; F87-V92 HydrophobicContact CE2-CG2 3.98Å; F87-F121 HydrophobicContact CB-CE1 3.89Å; F87-F121 HydrophobicContact CB-CZ 4.44Å; F87-F121 HydrophobicContact CD1-CE1 4.28Å; F87-F121 HydrophobicContact CD1-CZ 4.19Å; F87-F121 AromaticContact CD2-CE1 3.6Å; F87-F121 HydrophobicContact CD2-CE1 3.6Å; F87-F121 HydrophobicContact CD2-CZ 4.23Å; F87-F121 HydrophobicContact CE1-CZ 4.47Å; F87-F121 HydrophobicContact CE2-CE1 4.12Å; F87-F121 AromaticContact CG-CE1 3.67Å; F87-F121 HydrophobicContact CG-CE1 3.67Å; F87-F121 HydrophobicContact CG-CZ 4.05Å; F87-L128 HydrophobicContact CE1-CD2 4.03Å; F87-L145 HydrophobicContact CE2-CD2 4.45Å
88	T	76.3	Confident	67.5	Low	42 Å²	42	76.1 Å²	76.1	26%	0.258	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	148.9	173.8	66.4	0	0	0	0	109.7	L69 M90 E91	L69-T88 CarbonylContact O-C 3.31Å; L69-T88 WeakPolarHBondContact O-CA 3.31Å; T88-M90 PolarHBondContact O-N 2.91Å; T88-E91 WeakPolarHBondContact O-CB 3.34Å; T88-E91 PolarHBondContact O-N 2.83Å; T88-E91 VanDerWaalsContact O-N 3.07Å; T88-E91 WeakPolarHBondContact OG1-CG 3.3Å
89	V	80.3	Confident	69.3	Low	1 Å²	1	71.9 Å²	71.9	1%	0.006	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.6	173.8	174.2	0	0	0	0	111.3	L69 E91 V92 L145 L148 K149 V152	L69-V89 WeakPolarHBondContact O-CG2 3.36Å; L69-V89 PolarHBondContact O-N 2.98Å; V89-E91 PolarHBondContact O-N 2.93Å; V89-V92 WeakPolarHBondContact O-CB 3.36Å; V89-V92 PolarHBondContact O-N 2.65Å; V89-L145 HydrophobicContact CG2-CD2 4.3Å; V89-L148 HydrophobicContact CB-CB 4.34Å; V89-L148 HydrophobicContact CG1-CB 3.74Å; V89-L148 HydrophobicContact CG2-CB 3.98Å; V89-L148 HydrophobicContact CG2-CD1 3.88Å; V89-K149 HydrophobicContact CG1-CB 4.02Å; V89-V152 HydrophobicContact CG1-CG2 4.4Å
90	M	70.6	Confident	70.9	Confident	59 Å²	59	63.8 Å²	63.8	29%	0.291	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59.4	-32.1	174.4	-59.9	-175.6	69.9	0	0	112.9	T88 V92 K122 V152 K160	T88-M90 PolarHBondContact O-N 2.91Å; M90-V92 VanDerWaalsContact C-N 3.31Å; M90-K122 PolarHBondContact O-NZ 3.1Å; M90-V152 HydrophobicContact CB-CG1 4.44Å; M90-V152 HydrophobicContact CG-CG1 3.67Å; M90-K160 HydrophobicContact CE-CD 4.4Å
91	E	73.4	Confident	72.7	Confident	59 Å²	59	54.5 Å²	54.5	28%	0.276	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-77.7	-12.3	177.3	-69	174.1	-160.1	0	0	113.3	T88 V89 F121 K122 R125	T88-E91 WeakPolarHBondContact O-CB 3.34Å; T88-E91 PolarHBondContact O-N 2.83Å; T88-E91 VanDerWaalsContact O-N 3.07Å; T88-E91 WeakPolarHBondContact OG1-CG 3.3Å; V89-E91 PolarHBondContact O-N 2.93Å; E91-F121 HydrophobicContact CB-CD1 4.24Å; E91-F121 CarbonylContact O-C 3.53Å; E91-F121 VanDerWaalsContact O-CA 3.28Å; E91-F121 WeakPolarHBondContact O-CA 3.26Å; E91-K122 PolarHBondContact O-N 2.87Å; E91-R125 IonicContact OE2-CZ 2.79Å; E91-R125 IonicContact OE2-NH1 3.02Å; E91-R125 PolarHBondContact OE2-NH1 2.84Å
92	V	79.9	Confident	74.3	Confident	1 Å²	1	54 Å²	54	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.1	-178.7	-179.4	0	0	0	0	109.7	F87 V89 M90 V95 V119 F121 K122	F87-V92 HydrophobicContact CD2-CG2 4.1Å; F87-V92 HydrophobicContact CE2-CG2 3.98Å; V89-V92 WeakPolarHBondContact O-CB 3.36Å; V89-V92 PolarHBondContact O-N 2.65Å; M90-V92 VanDerWaalsContact C-N 3.31Å; V92-V95 HydrophobicContact CG1-CG2 4.08Å; V92-V119 HydrophobicContact CB-CG1 4.45Å; V92-V119 HydrophobicContact CG1-CG1 3.84Å; V92-V119 HydrophobicContact CG2-CG1 3.82Å; V92-F121 HydrophobicContact CG2-CD1 4.36Å; V92-F121 HydrophobicContact CG2-CE1 4.24Å; V92-K122 WeakPolarHBondContact O-CE 3.44Å
93	D	78.1	Confident	75.9	Confident	73 Å²	73	44.8 Å²	44.8	39%	0.39	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-53.7	174.1	-175.5	53.5	0	0	0	110.8	I120 K122 K149	D93-I120 HydrophobicContact CB-CG2 4.26Å; D93-I120 PolarHBondContact N-O 3.2Å; D93-K122 HydrophobicContact CB-CG 3.71Å; D93-K149 WeakPolarHBondContact O-CE 3.44Å
94	C	82	Confident	77.7	Confident	40 Å²	40	40.4 Å²	40.4	27%	0.27	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	168.9	173.2	61.8	0	0	0	0	111.8	I120	C94-I120 PolarHBondContact N-O 3.35Å; C94-I120 WeakPolarHBondContact O-CB 3.39Å; C94-I120 PolarHBondContact O-N 2.97Å
95	V	89.3	Confident	78.8	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.2	174.4	-173	0	0	0	0	108.5	V92 F117 T118 V142 L145 R146	V92-V95 HydrophobicContact CG1-CG2 4.08Å; V95-F117 HydrophobicContact CG1-CD2 3.75Å; V95-F117 HydrophobicContact CG1-CE2 4.46Å; V95-T118 WeakPolarHBondContact CA-O 3.5Å; V95-V142 HydrophobicContact CG1-CB 4.33Å; V95-V142 HydrophobicContact CG1-CG1 4.15Å; V95-V142 HydrophobicContact CG1-CG2 3.85Å; V95-L145 HydrophobicContact CG2-CB 3.91Å; V95-L145 HydrophobicContact CG2-CD1 4.19Å; V95-R146 PolarHBondContact O-NH2 2.85Å
96	R	86.6	Confident	79.1	Confident	20 Å²	20	38.7 Å²	38.7	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	177.8	-63.8	-172.3	-171.9	152.5	11.9	109.4	Q100 F117 T118 I120 E345	R96-Q100 HydrophobicContact CB-CB 4.33Å; R96-F117 CarbonylContact O-C 3.47Å; R96-F117 VanDerWaalsContact O-CA 3.25Å; R96-F117 WeakPolarHBondContact O-CA 3.19Å; R96-F117 WeakPolarHBondContact O-CB 3.46Å; R96-T118 PolarHBondContact N-O 3.18Å; R96-T118 PolarHBondContact O-N 3.26Å; R96-I120 HydrophobicContact CG-CD1 3.87Å; R96-E345 IonicContact CZ-OE1 2.65Å; R96-E345 IonicContact CZ-OE2 3.56Å; R96-E345 IonicContact NH1-OE1 3.59Å; R96-E345 IonicContact NH1-OE2 3.51Å; R96-E345 PolarHBondContact NH1-OE2 2.56Å; R96-E345 IonicContact NH2-OE1 2.73Å; R96-E345 PolarHBondContact NH2-OE1 3.36Å; R96-E345 IonicContact NH2-OE2 3.75Å; R96-E345 PolarHBondContact NH2-OE2 3.18Å
97	E	87.8	Confident	78.9	Confident	76 Å²	76	36.4 Å²	36.4	36%	0.355	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	151.6	173.9	-72.2	165.7	-109.2	0	0	110.3	Q100 V142 R146	E97-Q100 VanDerWaalsContact O-CG 3.26Å; E97-Q100 WeakPolarHBondContact O-CG 2.96Å; E97-Q100 PolarHBondContact O-NE2 3.2Å; E97-Q100 VanDerWaalsContact O-NE2 3.09Å; E97-V142 HydrophobicContact CG-CB 4.38Å; E97-V142 HydrophobicContact CG-CG1 3.69Å; E97-V142 HydrophobicContact CG-CG2 4.05Å; E97-R146 IonicContact OE1-CZ 2.73Å; E97-R146 IonicContact OE1-NH1 3.01Å; E97-R146 PolarHBondContact OE1-NH1 3.42Å; E97-R146 IonicContact OE1-NH2 3.78Å; E97-R146 PolarHBondContact OE1-NH2 3.15Å
98	G	84.9	Confident	78.6	Confident	11 Å²	11	38.2 Å²	38.2	11%	0.113	20%	0.201	C	C	.	.	S	Bend	trans	82.4	-170.2	176	0	0	0	0	0	113.9	Q100 E113 C116	G98-Q100 PolarHBondContact O-N 3.41Å; G98-Q100 VanDerWaalsContact O-N 3.1Å; G98-E113 VanDerWaalsContact CA-O 3.3Å; G98-E113 WeakPolarHBondContact CA-O 3.38Å; G98-C116 WeakPolarHBondContact CA-O 3.41Å; G98-C116 PolarHBondContact N-O 3.35Å
99	C	79.4	Confident	78.3	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.061	23%	0.231	C	C	.	.	S	Bend	trans	-86.5	51.9	177.5	-65.7	0	0	0	0	111.5	L104 R105 E113	C99-L104 HydrophobicContact CB-CB 4.02Å; C99-L104 WeakPolarHBondContact CB-O 3.25Å; C99-R105 WeakPolarHBondContact O-CG 3.42Å; C99-E113 HydrophobicContact CB-CG 4.41Å
100	Q	75.2	Confident	77.9	Confident	88 Å²	88	50.2 Å²	50.2	41%	0.411	26%	0.262	S	S	.	.			trans	-84.9	-18.3	-172.8	-68.8	-176.3	10	0	0	114.5	R96 E97 G98 R105	R96-Q100 HydrophobicContact CB-CB 4.33Å; E97-Q100 VanDerWaalsContact O-CG 3.26Å; E97-Q100 WeakPolarHBondContact O-CG 2.96Å; E97-Q100 PolarHBondContact O-NE2 3.2Å; E97-Q100 VanDerWaalsContact O-NE2 3.09Å; G98-Q100 PolarHBondContact O-N 3.41Å; G98-Q100 VanDerWaalsContact O-N 3.1Å; Q100-R105 PolarHBondContact O-NE 3Å
101	S	78.4	Confident	78.2	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.042	25%	0.251	C	S	.	.	S	Bend	trans	-84.2	157.2	177.5	70	0	0	0	0	112.4	A103 L104 R105 T118 D129	S101-A103 PolarHBondContact O-N 2.78Å; S101-L104 PolarHBondContact O-N 3.26Å; S101-L104 VanDerWaalsContact O-N 3.16Å; S101-L104 WeakPolarHBondContact OG-CB 3.11Å; S101-L104 WeakPolarHBondContact OG-CG 3.42Å; S101-L104 PolarHBondContact OG-N 2.74Å; S101-R105 WeakPolarHBondContact O-CB 3.36Å; S101-R105 WeakPolarHBondContact O-CG 3.47Å; S101-R105 PolarHBondContact O-N 3.47Å; S101-T118 WeakPolarHBondContact CB-OG1 3.21Å; S101-T118 PolarHBondContact OG-OG1 3.48Å; S101-D129 WeakPolarHBondContact CB-OD1 3.48Å; S101-D129 VanDerWaalsContact OG-CG 3.26Å; S101-D129 PolarHBondContact OG-OD1 3.05Å
102	D	73.4	Confident	78.7	Confident	59 Å²	59	48.1 Å²	48.1	32%	0.316	26%	0.258	S	S	.	.	H	α-helix	trans	-53.5	-38.4	176.8	-65.1	-9	0	0	0	111.8	R105 L106 S343 T344	D102-R105 IonicContact OD1-CZ 2.88Å; D102-R105 VanDerWaalsContact OD1-CZ 3.32Å; D102-R105 IonicContact OD1-NH1 3.13Å; D102-R105 IonicContact OD1-NH2 2.59Å; D102-R105 PolarHBondContact OD1-NH2 3.04Å; D102-L106 WeakPolarHBondContact O-CG 3.46Å; D102-S343 PolarHBondContact OD2-OG 3.38Å; D102-T344 PolarHBondContact OD1-OG1 2.67Å
103	A	76.9	Confident	78.9	Confident	14 Å²	14	53.8 Å²	53.8	12%	0.116	28%	0.284	C	S	.	.	H	α-helix	trans	-72.5	-38	-179.2	0	0	0	0	0	113.3	V51 S101	V51-A103 HydrophobicContact CG1-CB 4.42Å; S101-A103 PolarHBondContact O-N 2.78Å
104	L	80.6	Confident	79.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-84.4	-29.1	-179.4	-65	173.5	0	0	0	112.5	V51 C99 S101 L106 L107 S108 C116 T118 D129	V51-L104 HydrophobicContact CB-CD2 3.98Å; V51-L104 HydrophobicContact CG1-CD2 4.27Å; V51-L104 HydrophobicContact CG2-CD2 3.93Å; C99-L104 HydrophobicContact CB-CB 4.02Å; C99-L104 WeakPolarHBondContact CB-O 3.25Å; S101-L104 PolarHBondContact O-N 3.26Å; S101-L104 VanDerWaalsContact O-N 3.16Å; S101-L104 WeakPolarHBondContact OG-CB 3.11Å; S101-L104 WeakPolarHBondContact OG-CG 3.42Å; S101-L104 PolarHBondContact OG-N 2.74Å; L104-L106 PolarHBondContact O-N 2.8Å; L104-L107 HydrophobicContact CD2-CD1 4.35Å; L104-L107 CarbonylContact O-C 3.58Å; L104-L107 WeakPolarHBondContact O-CA 3.11Å; L104-L107 WeakPolarHBondContact O-CB 3.34Å; L104-L107 PolarHBondContact O-N 3.15Å; L104-S108 PolarHBondContact O-N 3.48Å; L104-C116 HydrophobicContact CD1-CB 4.23Å; L104-T118 WeakPolarHBondContact CD1-OG1 3.38Å; L104-D129 HydrophobicContact CD1-CB 3.99Å; L104-D129 HydrophobicContact CD2-CB 4.05Å; L104-D129 HydrophobicContact CG-CB 3.81Å
105	R	78.1	Confident	79.7	Confident	80 Å²	80	54.9 Å²	54.9	30%	0.302	29%	0.286	S	S	.	.	H	α-helix	trans	-54.6	-38.8	173.5	-83.5	-170.1	-100.9	153.8	-6.8	111.6	C99 Q100 S101 D102 L107 S108 T344 E386	C99-R105 WeakPolarHBondContact O-CG 3.42Å; Q100-R105 PolarHBondContact O-NE 3Å; S101-R105 WeakPolarHBondContact O-CB 3.36Å; S101-R105 WeakPolarHBondContact O-CG 3.47Å; S101-R105 PolarHBondContact O-N 3.47Å; D102-R105 IonicContact OD1-CZ 2.88Å; D102-R105 VanDerWaalsContact OD1-CZ 3.32Å; D102-R105 IonicContact OD1-NH1 3.13Å; D102-R105 IonicContact OD1-NH2 2.59Å; D102-R105 PolarHBondContact OD1-NH2 3.04Å; R105-L107 PolarHBondContact O-N 3.2Å; R105-S108 WeakPolarHBondContact O-CB 3.44Å; R105-S108 PolarHBondContact O-N 3.23Å; R105-S108 VanDerWaalsContact O-N 3.16Å; R105-S108 PolarHBondContact O-OG 3.49Å; R105-T344 PolarHBondContact NH2-OG1 3.19Å; R105-E386 IonicContact NH1-OE2 3.32Å; R105-E386 PolarHBondContact NH1-OE2 2.93Å
106	L	74.3	Confident	79.7	Confident	106 Å²	106	54.6 Å²	54.6	56%	0.555	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.3	175.2	-64.3	171	0	0	0	113.9	L54 D102 L104	L54-L106 HydrophobicContact CD1-CB 4.13Å; L54-L106 HydrophobicContact CD1-CD1 4.32Å; L54-L106 HydrophobicContact CD2-CB 4.32Å; L54-L106 HydrophobicContact CG-CB 3.98Å; L54-L106 HydrophobicContact CG-CD1 4.46Å; D102-L106 WeakPolarHBondContact O-CG 3.46Å; L104-L106 PolarHBondContact O-N 2.8Å
107	L	73.4	Confident	80	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-7.6	177.5	-67.4	173.7	0	0	0	113.4	V51 L54 L104 R105 E109 T110 V111	V51-L107 HydrophobicContact CB-CD1 4.3Å; V51-L107 HydrophobicContact CG1-CD1 3.58Å; V51-L107 HydrophobicContact CG2-CD1 3.76Å; L54-L107 HydrophobicContact CD2-CD2 3.84Å; L104-L107 HydrophobicContact CD2-CD1 4.35Å; L104-L107 CarbonylContact O-C 3.58Å; L104-L107 WeakPolarHBondContact O-CA 3.11Å; L104-L107 WeakPolarHBondContact O-CB 3.34Å; L104-L107 PolarHBondContact O-N 3.15Å; R105-L107 PolarHBondContact O-N 3.2Å; L107-E109 PolarHBondContact O-N 3.48Å; L107-E109 VanDerWaalsContact O-N 3.16Å; L107-T110 PolarHBondContact O-N 2.84Å; L107-T110 PolarHBondContact O-OG1 2.86Å; L107-V111 HydrophobicContact CB-CG2 4.3Å; L107-V111 PolarHBondContact O-N 2.61Å
108	S	71.4	Confident	80.1	Confident	44 Å²	44	50.1 Å²	50.1	31%	0.308	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.6	-174.1	60.8	0	0	0	0	114	L104 R105 T110	L104-S108 PolarHBondContact O-N 3.48Å; R105-S108 WeakPolarHBondContact O-CB 3.44Å; R105-S108 PolarHBondContact O-N 3.23Å; R105-S108 VanDerWaalsContact O-N 3.16Å; R105-S108 PolarHBondContact O-OG 3.49Å; S108-T110 VanDerWaalsContact C-N 3.3Å; S108-T110 PolarHBondContact O-N 3.49Å
109	E	70.7	Confident	80.3	Confident	190 Å²	190	49.6 Å²	49.6	89%	0.888	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.4	176.7	-63.3	-174.7	171.4	0	0	113.5	L107	L107-E109 PolarHBondContact O-N 3.48Å; L107-E109 VanDerWaalsContact O-N 3.16Å
110	T	72.2	Confident	80.4	Confident	105 Å²	105	50 Å²	50	64%	0.644	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-14.5	-170.9	59.5	0	0	0	0	114	L107 S108	L107-T110 PolarHBondContact O-N 2.84Å; L107-T110 PolarHBondContact O-OG1 2.86Å; S108-T110 VanDerWaalsContact C-N 3.3Å; S108-T110 PolarHBondContact O-N 3.49Å
111	V	76.9	Confident	80.7	Confident	9 Å²	9	46.3 Å²	46.3	6%	0.055	24%	0.243	C	C	.	.	S	Bend	trans	-133.1	133.1	-175.1	-175.9	0	0	0	0	109	L107 E113 K131	L107-V111 HydrophobicContact CB-CG2 4.3Å; L107-V111 PolarHBondContact O-N 2.61Å; V111-E113 PolarHBondContact O-N 2.86Å; V111-K131 HydrophobicContact CG1-CD 3.74Å; V111-K131 VanDerWaalsContact CG1-CE 3.5Å; V111-K131 HydrophobicContact CG1-CG 4.12Å; V111-K131 HydrophobicContact CG2-CD 4.15Å
112	P	82.8	Confident	80.2	Confident	66 Å²	66	49.6 Å²	49.6	43%	0.429	26%	0.257	S	S	.	.			trans	-54.3	129.3	172	-26.3	36.3	0	0	0	111.4	D114 Q115	P112-D114 WeakPolarHBondContact CB-OD1 3.39Å; P112-D114 PolarHBondContact O-N 2.89Å; P112-Q115 HydrophobicContact CB-CG 4.18Å; P112-Q115 PolarHBondContact O-N 2.78Å; P112-Q115 VanDerWaalsContact O-N 3.15Å
113	E	83.9	Confident	79.8	Confident	119 Å²	119	47.2 Å²	47.2	56%	0.556	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-61	-34.4	-176.1	-64.9	-170.1	165.8	0	0	112.2	G98 C99 V111 Q115 C116	G98-E113 VanDerWaalsContact CA-O 3.3Å; G98-E113 WeakPolarHBondContact CA-O 3.38Å; C99-E113 HydrophobicContact CB-CG 4.41Å; V111-E113 PolarHBondContact O-N 2.86Å; E113-Q115 PolarHBondContact O-N 3.27Å; E113-Q115 VanDerWaalsContact O-N 3.14Å; E113-C116 PolarHBondContact O-N 2.66Å
114	D	86.4	Confident	78.6	Confident	94 Å²	94	51 Å²	51	50%	0.503	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-65.7	-12.2	179.6	63.1	-10.9	0	0	0	114.3	P112 A135 A138	P112-D114 WeakPolarHBondContact CB-OD1 3.39Å; P112-D114 PolarHBondContact O-N 2.89Å; D114-A135 HydrophobicContact CB-CB 3.94Å; D114-A135 VanDerWaalsContact CG-CB 3.47Å; D114-A135 WeakPolarHBondContact O-CA 3.46Å; D114-A135 VanDerWaalsContact OD2-CB 3.3Å; D114-A135 WeakPolarHBondContact OD2-CB 3.33Å; D114-A138 WeakPolarHBondContact O-CB 3.4Å
115	Q	90.3	Very high	78.2	Confident	42 Å²	42	54.9 Å²	54.9	20%	0.196	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5	173.3	-64.2	-179.7	10.7	0	0	113.3	P112 E113 C132 A135	P112-Q115 HydrophobicContact CB-CG 4.18Å; P112-Q115 PolarHBondContact O-N 2.78Å; P112-Q115 VanDerWaalsContact O-N 3.15Å; E113-Q115 PolarHBondContact O-N 3.27Å; E113-Q115 VanDerWaalsContact O-N 3.14Å; Q115-C132 PolarHBondContact O-N 3.24Å; Q115-A135 HydrophobicContact CG-CB 4.34Å
116	C	90.6	Very high	78	Confident	3 Å²	3	59 Å²	59	2%	0.02	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.7	-170.7	-72.2	0	0	0	0	111.4	G98 L104 E113 L130	G98-C116 WeakPolarHBondContact CA-O 3.41Å; G98-C116 PolarHBondContact N-O 3.35Å; L104-C116 HydrophobicContact CD1-CB 4.23Å; E113-C116 PolarHBondContact O-N 2.66Å; C116-L130 WeakPolarHBondContact CA-O 3.41Å
117	F	92	Very high	78.5	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.6	168.3	70.6	-86	0	0	0	111.5	M48 V95 R96 V119 L130 C132 A138 W141 V142 L145	M48-F117 HydrophobicContact CE-CE1 4.22Å; M48-F117 HydrophobicContact CE-CZ 4.3Å; M48-F117 HydrophobicContact SD-CE1 4.01Å; M48-F117 HydrophobicContact SD-CZ 4.01Å; V95-F117 HydrophobicContact CG1-CD2 3.75Å; V95-F117 HydrophobicContact CG1-CE2 4.46Å; R96-F117 CarbonylContact O-C 3.47Å; R96-F117 VanDerWaalsContact O-CA 3.25Å; R96-F117 WeakPolarHBondContact O-CA 3.19Å; R96-F117 WeakPolarHBondContact O-CB 3.46Å; F117-V119 HydrophobicContact CD2-CG2 4.02Å; F117-V119 HydrophobicContact CE2-CG2 3.61Å; F117-L130 HydrophobicContact CD1-CB 4.36Å; F117-L130 HydrophobicContact CE1-CB 4Å; F117-L130 HydrophobicContact CE1-CD1 4.28Å; F117-L130 HydrophobicContact CE2-CB 4.39Å; F117-L130 HydrophobicContact CE2-CD1 3.65Å; F117-L130 HydrophobicContact CZ-CB 4.02Å; F117-L130 HydrophobicContact CZ-CD1 3.47Å; F117-L130 VanDerWaalsContact CZ-CD1 3.47Å; F117-L130 HydrophobicContact CZ-CG 4.37Å; F117-L130 PolarHBondContact N-O 3.06Å; F117-L130 PolarHBondContact O-N 2.85Å; F117-C132 VanDerWaalsContact CE1-SG 3.56Å; F117-A138 HydrophobicContact CD1-CB 4.21Å; F117-W141 HydrophobicContact CE1-CB 4.15Å; F117-W141 HydrophobicContact CZ-CB 3.93Å; F117-V142 HydrophobicContact CB-CG2 3.61Å; F117-V142 HydrophobicContact CD1-CG2 4.17Å; F117-V142 HydrophobicContact CD2-CG2 4.04Å; F117-V142 HydrophobicContact CG-CG2 3.7Å; F117-L145 HydrophobicContact CE2-CD1 4.19Å
118	T	90.1	Very high	79.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.5	177.1	-57.3	0	0	0	0	110.1	V95 R96 S101 L104 I120 L128 D129	V95-T118 WeakPolarHBondContact CA-O 3.5Å; R96-T118 PolarHBondContact N-O 3.18Å; R96-T118 PolarHBondContact O-N 3.26Å; S101-T118 WeakPolarHBondContact CB-OG1 3.21Å; S101-T118 PolarHBondContact OG-OG1 3.48Å; L104-T118 WeakPolarHBondContact CD1-OG1 3.38Å; T118-I120 HydrophobicContact CG2-CG1 3.93Å; T118-L128 WeakPolarHBondContact CA-O 3.1Å; T118-D129 WeakPolarHBondContact CB-OD1 3.4Å; T118-D129 WeakPolarHBondContact CG2-OD1 3.18Å; T118-D129 PolarHBondContact OG1-OD1 3.21Å
119	V	89.1	Confident	80.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.7	167.1	-173.4	0	0	0	0	108.6	V92 F117 F121 S127 L128 L130 L145	V92-V119 HydrophobicContact CB-CG1 4.45Å; V92-V119 HydrophobicContact CG1-CG1 3.84Å; V92-V119 HydrophobicContact CG2-CG1 3.82Å; F117-V119 HydrophobicContact CD2-CG2 4.02Å; F117-V119 HydrophobicContact CE2-CG2 3.61Å; V119-F121 HydrophobicContact CB-CZ 4.47Å; V119-F121 HydrophobicContact CG1-CE1 4.03Å; V119-F121 HydrophobicContact CG1-CE2 4.47Å; V119-F121 HydrophobicContact CG1-CZ 3.98Å; V119-S127 WeakPolarHBondContact O-CA 3.48Å; V119-L128 HydrophobicContact CB-CB 4.23Å; V119-L128 PolarHBondContact N-O 2.87Å; V119-L128 PolarHBondContact O-N 3.21Å; V119-L130 HydrophobicContact CG2-CD1 4.43Å; V119-L145 HydrophobicContact CG2-CD1 3.85Å
120	I	82.6	Confident	81.1	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.6	177.4	-57.5	-171.8	0	0	0	107.9	D93 C94 R96 T118	D93-I120 HydrophobicContact CB-CG2 4.26Å; D93-I120 PolarHBondContact N-O 3.2Å; C94-I120 PolarHBondContact N-O 3.35Å; C94-I120 WeakPolarHBondContact O-CB 3.39Å; C94-I120 PolarHBondContact O-N 2.97Å; R96-I120 HydrophobicContact CG-CD1 3.87Å; T118-I120 HydrophobicContact CG2-CG1 3.93Å
121	F	81.4	Confident	82	Confident	12 Å²	12	43.6 Å²	43.6	5%	0.053	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	150.7	179.3	-60.8	-78.5	0	0	0	110.8	F87 E91 V92 V119 R125 K126 L128	F87-F121 HydrophobicContact CB-CE1 3.89Å; F87-F121 HydrophobicContact CB-CZ 4.44Å; F87-F121 HydrophobicContact CD1-CE1 4.28Å; F87-F121 HydrophobicContact CD1-CZ 4.19Å; F87-F121 AromaticContact CD2-CE1 3.6Å; F87-F121 HydrophobicContact CD2-CE1 3.6Å; F87-F121 HydrophobicContact CD2-CZ 4.23Å; F87-F121 HydrophobicContact CE1-CZ 4.47Å; F87-F121 HydrophobicContact CE2-CE1 4.12Å; F87-F121 AromaticContact CG-CE1 3.67Å; F87-F121 HydrophobicContact CG-CE1 3.67Å; F87-F121 HydrophobicContact CG-CZ 4.05Å; E91-F121 HydrophobicContact CB-CD1 4.24Å; E91-F121 CarbonylContact O-C 3.53Å; E91-F121 VanDerWaalsContact O-CA 3.28Å; E91-F121 WeakPolarHBondContact O-CA 3.26Å; V92-F121 HydrophobicContact CG2-CD1 4.36Å; V92-F121 HydrophobicContact CG2-CE1 4.24Å; V119-F121 HydrophobicContact CB-CZ 4.47Å; V119-F121 HydrophobicContact CG1-CE1 4.03Å; V119-F121 HydrophobicContact CG1-CE2 4.47Å; V119-F121 HydrophobicContact CG1-CZ 3.98Å; F121-R125 HydrophobicContact CB-CB 3.77Å; F121-R125 HydrophobicContact CB-CG 3.91Å; F121-R125 HydrophobicContact CD2-CB 4.4Å; F121-R125 HydrophobicContact CD2-CG 3.67Å; F121-R125 HydrophobicContact CE2-CG 4.32Å; F121-R125 HydrophobicContact CG-CB 4.24Å; F121-R125 HydrophobicContact CG-CG 3.8Å; F121-K126 VanDerWaalsContact CD2-O 3.23Å; F121-K126 WeakPolarHBondContact CD2-O 3.27Å; F121-L128 HydrophobicContact CE2-CB 3.72Å; F121-L128 HydrophobicContact CZ-CB 4.12Å; F121-L128 HydrophobicContact CZ-CD2 4.48Å
122	K	67.6	Low	82.6	Confident	75 Å²	75	43.2 Å²	43.2	33%	0.326	22%	0.223	S	C	.	.	S	Bend	trans	-65.6	146.8	167.7	-63.5	175.4	-174.3	158.3	0	109	M90 E91 V92 D93	M90-K122 PolarHBondContact O-NZ 3.1Å; E91-K122 PolarHBondContact O-N 2.87Å; V92-K122 WeakPolarHBondContact O-CE 3.44Å; D93-K122 HydrophobicContact CB-CG 3.71Å
123	G	64.1	Low	82.8	Confident	9 Å²	9	43.6 Å²	43.6	9%	0.093	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-154.4	175.7	0	0	0	0	0	113.9	R125 R349 D758	G123-R125 VanDerWaalsContact C-N 3.31Å; G123-R125 PolarHBondContact O-N 2.64Å; G123-R349 PolarHBondContact O-NH1 2.79Å; G123-R349 PolarHBondContact O-NH2 3.39Å; G123-D758 VanDerWaalsContact CA-CG 3.43Å; G123-D758 WeakPolarHBondContact CA-OD2 3.36Å
124	S	53.2	Low	83.1	Confident	92 Å²	92	40.9 Å²	40.9	64%	0.643	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-1.5	-171.3	57.4	0	0	0	0	114.5	K126 D758	S124-K126 PolarHBondContact O-N 2.73Å; S124-D758 PolarHBondContact N-OD2 3.3Å; S124-D758 PolarHBondContact OG-OD2 3.46Å
125	R	70.7	Confident	83.2	Confident	82 Å²	82	37.5 Å²	37.5	31%	0.309	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-66.4	129.8	-179.9	-177.1	172.5	-178.4	141.9	8.8	110.3	T86 E91 F121 G123	T86-R125 PolarHBondContact O-NH2 3.06Å; E91-R125 IonicContact OE2-CZ 2.79Å; E91-R125 IonicContact OE2-NH1 3.02Å; E91-R125 PolarHBondContact OE2-NH1 2.84Å; F121-R125 HydrophobicContact CB-CB 3.77Å; F121-R125 HydrophobicContact CB-CG 3.91Å; F121-R125 HydrophobicContact CD2-CB 4.4Å; F121-R125 HydrophobicContact CD2-CG 3.67Å; F121-R125 HydrophobicContact CE2-CG 4.32Å; F121-R125 HydrophobicContact CG-CB 4.24Å; F121-R125 HydrophobicContact CG-CG 3.8Å; G123-R125 VanDerWaalsContact C-N 3.31Å; G123-R125 PolarHBondContact O-N 2.64Å
126	K	75	Confident	83.2	Confident	166 Å²	166	40.9 Å²	40.9	72%	0.722	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-62.1	141	177.3	-65.1	-170.6	177.7	-168.4	0	110.8	F121 S124	F121-K126 VanDerWaalsContact CD2-O 3.23Å; F121-K126 WeakPolarHBondContact CD2-O 3.27Å; S124-K126 PolarHBondContact O-N 2.73Å
127	S	84.8	Confident	83.1	Confident	56 Å²	56	43.3 Å²	43.3	39%	0.392	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-54	152	171.4	55	0	0	0	0	111.8	V119	V119-S127 WeakPolarHBondContact O-CA 3.48Å
128	L	88.3	Confident	83	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	103.5	175.4	176.4	66.4	0	0	0	108.7	K50 L62 F87 T118 V119 F121 L130	K50-L128 HydrophobicContact CD-CD1 3.56Å; K50-L128 HydrophobicContact CG-CD1 3.7Å; L62-L128 HydrophobicContact CD2-CD2 4.45Å; F87-L128 HydrophobicContact CE1-CD2 4.03Å; T118-L128 WeakPolarHBondContact CA-O 3.1Å; V119-L128 HydrophobicContact CB-CB 4.23Å; V119-L128 PolarHBondContact N-O 2.87Å; V119-L128 PolarHBondContact O-N 3.21Å; F121-L128 HydrophobicContact CE2-CB 3.72Å; F121-L128 HydrophobicContact CZ-CB 4.12Å; F121-L128 HydrophobicContact CZ-CD2 4.48Å; L128-L130 HydrophobicContact CD1-CD2 4.07Å; L128-L130 HydrophobicContact CD1-CG 4.44Å; L128-L130 HydrophobicContact CD2-CD1 3.91Å; L128-L130 HydrophobicContact CD2-CD2 4.36Å; L128-L130 HydrophobicContact CD2-CG 4.31Å; L128-L130 HydrophobicContact CG-CD1 3.99Å; L128-L130 HydrophobicContact CG-CD2 4.01Å; L128-L130 HydrophobicContact CG-CG 3.88Å
129	D	89.6	Confident	83	Confident	11 Å²	11	47 Å²	47	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.1	176.8	-62	-61.8	0	0	0	110.4	K50 V51 S101 L104 T118	K50-D129 WeakPolarHBondContact CA-O 3.35Å; V51-D129 HydrophobicContact CB-CB 4.2Å; V51-D129 PolarHBondContact N-O 3.19Å; S101-D129 WeakPolarHBondContact CB-OD1 3.48Å; S101-D129 VanDerWaalsContact OG-CG 3.26Å; S101-D129 PolarHBondContact OG-OD1 3.05Å; L104-D129 HydrophobicContact CD1-CB 3.99Å; L104-D129 HydrophobicContact CD2-CB 4.05Å; L104-D129 HydrophobicContact CG-CB 3.81Å; T118-D129 WeakPolarHBondContact CB-OD1 3.4Å; T118-D129 WeakPolarHBondContact CG2-OD1 3.18Å; T118-D129 PolarHBondContact OG1-OD1 3.21Å
130	L	90.9	Very high	83.1	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.2	-172.8	-64.4	169.3	0	0	0	110.8	M48 V49 K50 L62 C116 F117 V119 L128	M48-L130 HydrophobicContact CB-CD2 4.36Å; M48-L130 HydrophobicContact SD-CB 4.36Å; M48-L130 HydrophobicContact SD-CD1 4.08Å; V49-L130 WeakPolarHBondContact O-CA 3.41Å; K50-L130 HydrophobicContact CB-CD2 4.28Å; L62-L130 HydrophobicContact CD2-CD1 3.7Å; L62-L130 HydrophobicContact CD2-CD2 4.38Å; C116-L130 WeakPolarHBondContact CA-O 3.41Å; F117-L130 HydrophobicContact CD1-CB 4.36Å; F117-L130 HydrophobicContact CE1-CB 4Å; F117-L130 HydrophobicContact CE1-CD1 4.28Å; F117-L130 HydrophobicContact CE2-CB 4.39Å; F117-L130 HydrophobicContact CE2-CD1 3.65Å; F117-L130 HydrophobicContact CZ-CB 4.02Å; F117-L130 HydrophobicContact CZ-CD1 3.47Å; F117-L130 VanDerWaalsContact CZ-CD1 3.47Å; F117-L130 HydrophobicContact CZ-CG 4.37Å; F117-L130 PolarHBondContact N-O 3.06Å; F117-L130 PolarHBondContact O-N 2.85Å; V119-L130 HydrophobicContact CG2-CD1 4.43Å; L128-L130 HydrophobicContact CD1-CD2 4.07Å; L128-L130 HydrophobicContact CD1-CG 4.44Å; L128-L130 HydrophobicContact CD2-CD1 3.91Å; L128-L130 HydrophobicContact CD2-CD2 4.36Å; L128-L130 HydrophobicContact CD2-CG 4.31Å; L128-L130 HydrophobicContact CG-CD1 3.99Å; L128-L130 HydrophobicContact CG-CD2 4.01Å; L128-L130 HydrophobicContact CG-CG 3.88Å
131	K	91.3	Very high	83.5	Confident	52 Å²	52	48.4 Å²	48.4	23%	0.226	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.2	167	169.7	-172.7	176.8	172.4	0	108.9	V49 V111	V49-K131 HydrophobicContact CB-CB 4.22Å; V49-K131 PolarHBondContact N-O 2.75Å; V49-K131 PolarHBondContact O-N 3.16Å; V111-K131 HydrophobicContact CG1-CD 3.74Å; V111-K131 VanDerWaalsContact CG1-CE 3.5Å; V111-K131 HydrophobicContact CG1-CG 4.12Å; V111-K131 HydrophobicContact CG2-CD 4.15Å
132	C	89.3	Confident	84	Confident	2 Å²	2	48 Å²	48	1%	0.014	25%	0.251	C	S	.	.			trans	-85	160.4	175.9	-69.9	0	0	0	0	112.3	M48 Q115 F117 T134 E137 A138	M48-C132 WeakPolarHBondContact CE-SG 3.29Å; M48-C132 VanDerWaalsContact SD-SG 3.64Å; Q115-C132 PolarHBondContact O-N 3.24Å; F117-C132 VanDerWaalsContact CE1-SG 3.56Å; C132-T134 VanDerWaalsContact C-N 3.31Å; C132-T134 WeakPolarHBondContact CB-O 3.33Å; C132-E137 HydrophobicContact CB-CB 4.21Å; C132-A138 HydrophobicContact CB-CB 3.93Å; C132-A138 VanDerWaalsContact SG-CA 3.55Å
133	P	88.1	Confident	85	Confident	73 Å²	73	50.5 Å²	50.5	47%	0.474	26%	0.258	S	S	.	.	S	Bend	trans	-63.3	-36.8	169.5	-18.2	28.9	0	0	0	112.8	S47 E137	S47-P133 VanDerWaalsContact O-CD 3.23Å; S47-P133 WeakPolarHBondContact O-CD 3.28Å; S47-P133 WeakPolarHBondContact O-CG 3.46Å; P133-E137 VanDerWaalsContact CB-OE2 3.31Å; P133-E137 WeakPolarHBondContact CB-OE2 3.2Å; P133-E137 WeakPolarHBondContact CD-OE2 3.27Å; P133-E137 VanDerWaalsContact CG-OE2 3.31Å; P133-E137 WeakPolarHBondContact CG-OE2 3.45Å
134	T	89.4	Confident	86.2	Confident	63 Å²	63	50 Å²	50	39%	0.387	25%	0.254	S	S	.	.	S	Bend	trans	-133.1	155.7	-178.8	64.4	0	0	0	0	112.2	C132 E136 E137 A138	C132-T134 VanDerWaalsContact C-N 3.31Å; C132-T134 WeakPolarHBondContact CB-O 3.33Å; T134-E136 VanDerWaalsContact C-N 3.26Å; T134-E136 PolarHBondContact O-N 3.34Å; T134-E137 PolarHBondContact N-OE2 3.31Å; T134-E137 PolarHBondContact O-N 3.37Å; T134-E137 WeakPolarHBondContact OG1-CB 3.2Å; T134-E137 VanDerWaalsContact OG1-CG 3.25Å; T134-E137 WeakPolarHBondContact OG1-CG 3.37Å; T134-E137 PolarHBondContact OG1-N 2.91Å; T134-E137 PolarHBondContact OG1-OE2 3.33Å; T134-A138 PolarHBondContact O-N 2.79Å
135	A	88.8	Confident	87.8	Confident	23 Å²	23	45.8 Å²	45.8	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-33.9	175.3	0	0	0	0	0	111.8	D114 Q115 A138 L139	D114-A135 HydrophobicContact CB-CB 3.94Å; D114-A135 VanDerWaalsContact CG-CB 3.47Å; D114-A135 WeakPolarHBondContact O-CA 3.46Å; D114-A135 VanDerWaalsContact OD2-CB 3.3Å; D114-A135 WeakPolarHBondContact OD2-CB 3.33Å; Q115-A135 HydrophobicContact CG-CB 4.34Å; A135-A138 PolarHBondContact O-N 3.23Å; A135-L139 WeakPolarHBondContact O-CG 3.46Å; A135-L139 PolarHBondContact O-N 3.02Å
136	E	89.8	Confident	88.7	Confident	112 Å²	112	46 Å²	46	52%	0.523	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-44.7	177	-170	178.3	171.9	0	0	111.7	T134 A138 L139 R140	T134-E136 VanDerWaalsContact C-N 3.26Å; T134-E136 PolarHBondContact O-N 3.34Å; E136-A138 VanDerWaalsContact C-N 3.35Å; E136-A138 PolarHBondContact O-N 3.25Å; E136-L139 PolarHBondContact O-N 3.02Å; E136-R140 HydrophobicContact CG-CG 4.44Å; E136-R140 VanDerWaalsContact O-CG 3.31Å; E136-R140 WeakPolarHBondContact O-CG 3.34Å; E136-R140 PolarHBondContact O-N 3.46Å; E136-R140 IonicContact OE1-CZ 3.95Å; E136-R140 IonicContact OE1-NE 2.69Å; E136-R140 PolarHBondContact OE1-NE 2.65Å; E136-R140 VanDerWaalsContact OE1-NE 3.13Å; E136-R140 IonicContact OE1-NH2 3.32Å; E136-R140 PolarHBondContact OE1-NH2 3.12Å
137	E	89.3	Confident	89.1	Confident	54 Å²	54	41.3 Å²	41.3	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-41.4	176	-74.8	170.2	127.6	0	0	112.1	C46 C132 P133 T134 L139 R140 W141	C46-E137 PolarHBondContact SG-OE1 3.35Å; C132-E137 HydrophobicContact CB-CB 4.21Å; P133-E137 VanDerWaalsContact CB-OE2 3.31Å; P133-E137 WeakPolarHBondContact CB-OE2 3.2Å; P133-E137 WeakPolarHBondContact CD-OE2 3.27Å; P133-E137 VanDerWaalsContact CG-OE2 3.31Å; P133-E137 WeakPolarHBondContact CG-OE2 3.45Å; T134-E137 PolarHBondContact N-OE2 3.31Å; T134-E137 PolarHBondContact O-N 3.37Å; T134-E137 WeakPolarHBondContact OG1-CB 3.2Å; T134-E137 VanDerWaalsContact OG1-CG 3.25Å; T134-E137 WeakPolarHBondContact OG1-CG 3.37Å; T134-E137 PolarHBondContact OG1-N 2.91Å; T134-E137 PolarHBondContact OG1-OE2 3.33Å; E137-L139 PolarHBondContact O-N 2.91Å; E137-R140 PolarHBondContact O-N 2.63Å; E137-W141 WeakPolarHBondContact O-CB 3.49Å; E137-W141 VanDerWaalsContact O-CD1 3.26Å; E137-W141 PolarHBondContact O-N 3.12Å
138	A	89.3	Confident	88.9	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-48.6	175.2	0	0	0	0	0	111	D114 F117 C132 T134 A135 E136 W141 V142	D114-A138 WeakPolarHBondContact O-CB 3.4Å; F117-A138 HydrophobicContact CD1-CB 4.21Å; C132-A138 HydrophobicContact CB-CB 3.93Å; C132-A138 VanDerWaalsContact SG-CA 3.55Å; T134-A138 PolarHBondContact O-N 2.79Å; A135-A138 PolarHBondContact O-N 3.23Å; E136-A138 VanDerWaalsContact C-N 3.35Å; E136-A138 PolarHBondContact O-N 3.25Å; A138-W141 PolarHBondContact O-N 2.86Å; A138-V142 WeakPolarHBondContact O-CB 3.33Å; A138-V142 WeakPolarHBondContact O-CG2 3.34Å; A138-V142 PolarHBondContact O-N 3.49Å
139	L	90.7	Very high	88.6	Confident	77 Å²	77	40.8 Å²	40.8	40%	0.403	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-46.1	177.6	-74.8	168.5	0	0	0	112.4	A135 E136 E137 W141 V142 R143	A135-L139 WeakPolarHBondContact O-CG 3.46Å; A135-L139 PolarHBondContact O-N 3.02Å; E136-L139 PolarHBondContact O-N 3.02Å; E137-L139 PolarHBondContact O-N 2.91Å; L139-W141 PolarHBondContact O-N 3.48Å; L139-V142 PolarHBondContact O-N 2.93Å; L139-R143 WeakPolarHBondContact O-CB 3.33Å; L139-R143 WeakPolarHBondContact O-CG 3.38Å; L139-R143 PolarHBondContact O-N 3.35Å
140	R	90.9	Very high	87.9	Confident	45 Å²	45	44.7 Å²	44.7	17%	0.17	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-44.7	178.3	-69.4	-172.8	-176.6	-127.1	3.8	111.3	E37 D38 E136 E137 R143 G144	E37-R140 IonicContact OE1-CZ 3.64Å; E37-R140 IonicContact OE1-NH1 3.59Å; E37-R140 PolarHBondContact OE1-NH1 2.85Å; E37-R140 IonicContact OE1-NH2 3.68Å; D38-R140 WeakPolarHBondContact OD1-CG 3.34Å; E136-R140 HydrophobicContact CG-CG 4.44Å; E136-R140 VanDerWaalsContact O-CG 3.31Å; E136-R140 WeakPolarHBondContact O-CG 3.34Å; E136-R140 PolarHBondContact O-N 3.46Å; E136-R140 IonicContact OE1-CZ 3.95Å; E136-R140 IonicContact OE1-NE 2.69Å; E136-R140 PolarHBondContact OE1-NE 2.65Å; E136-R140 VanDerWaalsContact OE1-NE 3.13Å; E136-R140 IonicContact OE1-NH2 3.32Å; E136-R140 PolarHBondContact OE1-NH2 3.12Å; E137-R140 PolarHBondContact O-N 2.63Å; R140-R143 PolarHBondContact O-N 2.92Å; R140-G144 PolarHBondContact O-N 2.73Å
141	W	92.1	Very high	87.1	Confident	1 Å²	1	47 Å²	47	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-40.2	177.6	-87.2	80.4	0	0	0	113.4	M42 C46 M48 L62 V71 F117 E137 A138 L139 L145	M42-W141 HydrophobicContact CB-CH2 4.39Å; M42-W141 HydrophobicContact CB-CZ2 4.28Å; M42-W141 HydrophobicContact CE-CE3 3.83Å; M42-W141 HydrophobicContact CE-CZ3 3.81Å; M42-W141 HydrophobicContact CG-CD2 3.87Å; M42-W141 HydrophobicContact CG-CE3 4.11Å; M42-W141 HydrophobicContact CG-CG 4.27Å; M42-W141 HydrophobicContact CG-CH2 4.44Å; M42-W141 HydrophobicContact CG-CZ2 4.24Å; M42-W141 HydrophobicContact CG-CZ3 4.38Å; M42-W141 HydrophobicContact SD-CE3 4.44Å; C46-W141 HydrophobicContact CB-CZ2 4.07Å; M48-W141 HydrophobicContact CE-CB 4.12Å; M48-W141 HydrophobicContact CE-CD2 3.46Å; M48-W141 VanDerWaalsContact CE-CD2 3.46Å; M48-W141 VanDerWaalsContact CE-CE2 3.46Å; M48-W141 HydrophobicContact CE-CE3 4.28Å; M48-W141 HydrophobicContact CE-CG 3.33Å; M48-W141 HydrophobicContact CE-CZ2 4.27Å; M48-W141 VanDerWaalsContact CE-NE1 3.3Å; L62-W141 HydrophobicContact CB-CH2 3.57Å; L62-W141 HydrophobicContact CB-CZ2 4.08Å; L62-W141 HydrophobicContact CB-CZ3 4.08Å; L62-W141 HydrophobicContact CD2-CZ3 4.35Å; L62-W141 WeakPolarHBondContact O-CZ2 3.26Å; V71-W141 HydrophobicContact CG1-CH2 4.3Å; V71-W141 HydrophobicContact CG1-CZ3 4Å; F117-W141 HydrophobicContact CE1-CB 4.15Å; F117-W141 HydrophobicContact CZ-CB 3.93Å; E137-W141 WeakPolarHBondContact O-CB 3.49Å; E137-W141 VanDerWaalsContact O-CD1 3.26Å; E137-W141 PolarHBondContact O-N 3.12Å; A138-W141 PolarHBondContact O-N 2.86Å; L139-W141 PolarHBondContact O-N 3.48Å; W141-L145 HydrophobicContact CE3-CD1 4.44Å; W141-L145 WeakPolarHBondContact O-CB 3.47Å; W141-L145 WeakPolarHBondContact O-CG 3.38Å; W141-L145 PolarHBondContact O-N 2.84Å
142	V	90.4	Very high	86	Confident	3 Å²	3	45 Å²	45	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-49.1	175.7	169.4	0	0	0	0	110.8	V95 E97 F117 A138 L139 R146	V95-V142 HydrophobicContact CG1-CB 4.33Å; V95-V142 HydrophobicContact CG1-CG1 4.15Å; V95-V142 HydrophobicContact CG1-CG2 3.85Å; E97-V142 HydrophobicContact CG-CB 4.38Å; E97-V142 HydrophobicContact CG-CG1 3.69Å; E97-V142 HydrophobicContact CG-CG2 4.05Å; F117-V142 HydrophobicContact CB-CG2 3.61Å; F117-V142 HydrophobicContact CD1-CG2 4.17Å; F117-V142 HydrophobicContact CD2-CG2 4.04Å; F117-V142 HydrophobicContact CG-CG2 3.7Å; A138-V142 WeakPolarHBondContact O-CB 3.33Å; A138-V142 WeakPolarHBondContact O-CG2 3.34Å; A138-V142 PolarHBondContact O-N 3.49Å; L139-V142 PolarHBondContact O-N 2.93Å; V142-R146 WeakPolarHBondContact O-CB 3.27Å; V142-R146 VanDerWaalsContact O-CG 3.31Å; V142-R146 WeakPolarHBondContact O-CG 3.42Å; V142-R146 PolarHBondContact O-N 2.88Å
143	R	89.8	Confident	84.8	Confident	128 Å²	128	49.1 Å²	49.1	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-44.4	178.6	-70.2	-172.6	-52.3	-164.7	1.2	111.6	D38 L139 R140 R146 F147	D38-R143 IonicContact OD1-CZ 3.66Å; D38-R143 IonicContact OD1-NE 3.76Å; D38-R143 IonicContact OD1-NH2 3.54Å; D38-R143 PolarHBondContact OD1-NH2 2.78Å; D38-R143 VanDerWaalsContact OD2-CB 3.27Å; D38-R143 WeakPolarHBondContact OD2-CB 3.2Å; D38-R143 IonicContact OD2-CZ 2.74Å; D38-R143 IonicContact OD2-NE 3.8Å; D38-R143 PolarHBondContact OD2-NE 3.01Å; D38-R143 IonicContact OD2-NH2 3.73Å; L139-R143 WeakPolarHBondContact O-CB 3.33Å; L139-R143 WeakPolarHBondContact O-CG 3.38Å; L139-R143 PolarHBondContact O-N 3.35Å; R140-R143 PolarHBondContact O-N 2.92Å; R143-R146 PolarHBondContact O-N 2.97Å; R143-F147 VanDerWaalsContact O-CB 3.31Å; R143-F147 WeakPolarHBondContact O-CB 3.28Å; R143-F147 PolarHBondContact O-N 2.84Å
144	G	88.4	Confident	83.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-46.5	178.3	0	0	0	0	0	112.9	M42 R140 R146 F147 L148	M42-G144 VanDerWaalsContact SD-CA 3.56Å; R140-G144 PolarHBondContact O-N 2.73Å; G144-R146 PolarHBondContact O-N 2.9Å; G144-F147 PolarHBondContact O-N 3.09Å; G144-L148 WeakPolarHBondContact O-CG 3.43Å; G144-L148 PolarHBondContact O-N 2.97Å
145	L	88	Confident	82.4	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-39.4	175.8	-75.5	171.4	0	0	0	112.7	M42 V71 F87 V89 V95 F117 V119 W141 K149	M42-L145 HydrophobicContact CE-CD2 3.79Å; M42-L145 HydrophobicContact CE-CG 3.87Å; V71-L145 HydrophobicContact CG2-CD2 4.17Å; F87-L145 HydrophobicContact CE2-CD2 4.45Å; V89-L145 HydrophobicContact CG2-CD2 4.3Å; V95-L145 HydrophobicContact CG2-CB 3.91Å; V95-L145 HydrophobicContact CG2-CD1 4.19Å; F117-L145 HydrophobicContact CE2-CD1 4.19Å; V119-L145 HydrophobicContact CG2-CD1 3.85Å; W141-L145 HydrophobicContact CE3-CD1 4.44Å; W141-L145 WeakPolarHBondContact O-CB 3.47Å; W141-L145 WeakPolarHBondContact O-CG 3.38Å; W141-L145 PolarHBondContact O-N 2.84Å; L145-K149 VanDerWaalsContact O-CB 3.29Å; L145-K149 WeakPolarHBondContact O-CB 3.48Å; L145-K149 PolarHBondContact O-N 3.45Å
146	R	87.7	Confident	80.8	Confident	87 Å²	87	48 Å²	48	33%	0.328	24%	0.235	S	C	.	.	H	α-helix	trans	-65.3	-45.7	174.9	-74.7	177.6	-176.4	156.6	4.2	111.6	V95 E97 V142 R143 G144 L148 K149 D150	V95-R146 PolarHBondContact O-NH2 2.85Å; E97-R146 IonicContact OE1-CZ 2.73Å; E97-R146 IonicContact OE1-NH1 3.01Å; E97-R146 PolarHBondContact OE1-NH1 3.42Å; E97-R146 IonicContact OE1-NH2 3.78Å; E97-R146 PolarHBondContact OE1-NH2 3.15Å; V142-R146 WeakPolarHBondContact O-CB 3.27Å; V142-R146 VanDerWaalsContact O-CG 3.31Å; V142-R146 WeakPolarHBondContact O-CG 3.42Å; V142-R146 PolarHBondContact O-N 2.88Å; R143-R146 PolarHBondContact O-N 2.97Å; G144-R146 PolarHBondContact O-N 2.9Å; R146-L148 PolarHBondContact O-N 2.94Å; R146-K149 PolarHBondContact O-N 2.84Å; R146-D150 VanDerWaalsContact O-CG 3.31Å; R146-D150 PolarHBondContact O-N 3.34Å
147	F	84.4	Confident	78.9	Confident	68 Å²	68	44.2 Å²	44.2	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-49.9	175.8	175.2	-97.9	0	0	0	111.6	N36 I39 R143 G144 K149 D150 R151	N36-F147 HydrophobicContact CB-CE1 4.12Å; N36-F147 HydrophobicContact CB-CZ 4.33Å; N36-F147 WeakPolarHBondContact ND2-CG 3.44Å; I39-F147 HydrophobicContact CD1-CD1 4.1Å; I39-F147 HydrophobicContact CG1-CD1 4.03Å; I39-F147 HydrophobicContact CG1-CE1 4.33Å; R143-F147 VanDerWaalsContact O-CB 3.31Å; R143-F147 WeakPolarHBondContact O-CB 3.28Å; R143-F147 PolarHBondContact O-N 2.84Å; G144-F147 PolarHBondContact O-N 3.09Å; F147-K149 VanDerWaalsContact C-N 3.3Å; F147-K149 PolarHBondContact O-N 2.73Å; F147-D150 PolarHBondContact O-N 3.33Å; F147-R151 WeakPolarHBondContact O-CB 3.42Å; F147-R151 PolarHBondContact O-N 3.39Å
148	L	81.1	Confident	77.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-39.3	177.2	-67.6	176.2	0	0	0	111.5	I33 I39 M42 L64 G68 V89 G144 R146 R151 V152	I33-L148 HydrophobicContact CG2-CD2 4.29Å; I39-L148 HydrophobicContact CD1-CD1 3.86Å; I39-L148 HydrophobicContact CD1-CD2 3.77Å; I39-L148 HydrophobicContact CD1-CG 3.55Å; I39-L148 HydrophobicContact CG1-CD2 4.42Å; M42-L148 HydrophobicContact CE-CD1 4.14Å; L64-L148 HydrophobicContact CD1-CD1 3.75Å; L64-L148 HydrophobicContact CD2-CD1 3.8Å; L64-L148 HydrophobicContact CG-CD1 4.46Å; G68-L148 VanDerWaalsContact O-CD2 3.27Å; G68-L148 WeakPolarHBondContact O-CD2 3.35Å; V89-L148 HydrophobicContact CB-CB 4.34Å; V89-L148 HydrophobicContact CG1-CB 3.74Å; V89-L148 HydrophobicContact CG2-CB 3.98Å; V89-L148 HydrophobicContact CG2-CD1 3.88Å; G144-L148 WeakPolarHBondContact O-CG 3.43Å; G144-L148 PolarHBondContact O-N 2.97Å; R146-L148 PolarHBondContact O-N 2.94Å; L148-R151 PolarHBondContact O-N 2.89Å; L148-V152 WeakPolarHBondContact O-CB 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.23Å; L148-V152 PolarHBondContact O-N 3.48Å
149	K	80.8	Confident	75.7	Confident	52 Å²	52	50.4 Å²	50.4	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-51.9	177.3	172.7	174.6	165.1	-91.1	0	111.7	V89 D93 L145 R146 F147 R151 V152 T153	V89-K149 HydrophobicContact CG1-CB 4.02Å; D93-K149 WeakPolarHBondContact O-CE 3.44Å; L145-K149 VanDerWaalsContact O-CB 3.29Å; L145-K149 WeakPolarHBondContact O-CB 3.48Å; L145-K149 PolarHBondContact O-N 3.45Å; R146-K149 PolarHBondContact O-N 2.84Å; F147-K149 VanDerWaalsContact C-N 3.3Å; F147-K149 PolarHBondContact O-N 2.73Å; K149-R151 PolarHBondContact O-N 3.29Å; K149-V152 PolarHBondContact O-N 3.01Å; K149-T153 WeakPolarHBondContact O-CG2 3.49Å; K149-T153 PolarHBondContact O-N 3.38Å; K149-T153 PolarHBondContact O-OG1 2.88Å
150	D	75.3	Confident	74.1	Confident	93 Å²	93	48.6 Å²	48.6	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-37.6	-178.9	-67	-16	0	0	0	110.4	R146 F147 T153 S154	R146-D150 VanDerWaalsContact O-CG 3.31Å; R146-D150 PolarHBondContact O-N 3.34Å; F147-D150 PolarHBondContact O-N 3.33Å; D150-T153 VanDerWaalsContact C-OG1 3.24Å; D150-T153 VanDerWaalsContact CA-OG1 3.26Å; D150-T153 WeakPolarHBondContact CA-OG1 3.43Å; D150-T153 PolarHBondContact O-N 3.44Å; D150-T153 PolarHBondContact O-OG1 2.71Å; D150-S154 PolarHBondContact O-N 3.43Å
151	R	73.6	Confident	72.4	Confident	49 Å²	49	47.6 Å²	47.6	19%	0.185	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-48.9	174.5	-171.3	173.8	175.4	97.2	41	112.7	L31 F147 L148 K149 T153 S154 M155	L31-R151 PolarHBondContact O-NH1 3.49Å; L31-R151 PolarHBondContact O-NH2 3.07Å; F147-R151 WeakPolarHBondContact O-CB 3.42Å; F147-R151 PolarHBondContact O-N 3.39Å; L148-R151 PolarHBondContact O-N 2.89Å; K149-R151 PolarHBondContact O-N 3.29Å; R151-T153 PolarHBondContact O-N 2.8Å; R151-S154 WeakPolarHBondContact CA-OG 3.39Å; R151-S154 CarbonylContact O-C 3.35Å; R151-S154 WeakPolarHBondContact O-CA 3.43Å; R151-S154 PolarHBondContact O-N 3.18Å; R151-S154 PolarHBondContact O-OG 3.01Å; R151-M155 WeakPolarHBondContact O-CG 3.45Å; R151-M155 PolarHBondContact O-N 3.32Å
152	V	68	Low	70.7	Confident	10 Å²	10	50.2 Å²	50.2	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-37.3	173.3	163.2	0	0	0	0	111.6	L69 V89 M90 L148 K149 S154 M155 K160	L69-V152 HydrophobicContact CD1-CG2 4.03Å; L69-V152 HydrophobicContact CD2-CG2 3.33Å; L69-V152 HydrophobicContact CG-CG2 4.34Å; V89-V152 HydrophobicContact CG1-CG2 4.4Å; M90-V152 HydrophobicContact CB-CG1 4.44Å; M90-V152 HydrophobicContact CG-CG1 3.67Å; L148-V152 WeakPolarHBondContact O-CB 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.23Å; L148-V152 PolarHBondContact O-N 3.48Å; K149-V152 PolarHBondContact O-N 3.01Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-M155 HydrophobicContact CG2-SD 4.37Å; V152-M155 PolarHBondContact O-N 2.91Å; V152-K160 WeakPolarHBondContact O-CE 3.44Å; V152-K160 PolarHBondContact O-NZ 3.31Å; V152-K160 VanDerWaalsContact O-NZ 3.13Å
153	T	64.9	Low	69.3	Low	88 Å²	88	51.4 Å²	51.4	54%	0.54	25%	0.25	S	C	.	.	H	α-helix	trans	-68.4	-32	175.5	51.3	0	0	0	0	112.6	K149 D150 R151	K149-T153 WeakPolarHBondContact O-CG2 3.49Å; K149-T153 PolarHBondContact O-N 3.38Å; K149-T153 PolarHBondContact O-OG1 2.88Å; D150-T153 VanDerWaalsContact C-OG1 3.24Å; D150-T153 VanDerWaalsContact CA-OG1 3.26Å; D150-T153 WeakPolarHBondContact CA-OG1 3.43Å; D150-T153 PolarHBondContact O-N 3.44Å; D150-T153 PolarHBondContact O-OG1 2.71Å; R151-T153 PolarHBondContact O-N 2.8Å
154	S	63.6	Low	67.9	Low	89 Å²	89	49 Å²	49	62%	0.622	24%	0.241	S	C	*	.	H	α-helix	trans	-80.7	-19.8	174.8	70.4	0	0	0	0	114.5	D150 R151 V152 T156	D150-S154 PolarHBondContact O-N 3.43Å; R151-S154 WeakPolarHBondContact CA-OG 3.39Å; R151-S154 CarbonylContact O-C 3.35Å; R151-S154 WeakPolarHBondContact O-CA 3.43Å; R151-S154 PolarHBondContact O-N 3.18Å; R151-S154 PolarHBondContact O-OG 3.01Å; V152-S154 VanDerWaalsContact C-N 3.31Å; S154-T156 PolarHBondContact O-N 3.19Å
155	M	63.3	Low	66.5	Low	10 Å²	10	50 Å²	50	5%	0.049	25%	0.245	C	C	.	.	S	Bend	trans	-64.2	133.3	-179.6	-76.3	173.2	83.2	0	0	111.1	L31 L69 R151 V152 E159 K160 H163	L31-M155 HydrophobicContact CD1-CE 4.4Å; L31-M155 HydrophobicContact CD2-CE 4.47Å; L69-M155 HydrophobicContact CD1-SD 4.34Å; R151-M155 WeakPolarHBondContact O-CG 3.45Å; R151-M155 PolarHBondContact O-N 3.32Å; V152-M155 HydrophobicContact CG2-SD 4.37Å; V152-M155 PolarHBondContact O-N 2.91Å; M155-E159 HydrophobicContact CB-CB 4.38Å; M155-E159 HydrophobicContact CE-CB 3.8Å; M155-K160 HydrophobicContact CB-CG 3.96Å; M155-K160 VanDerWaalsContact O-CE 3.27Å; M155-K160 WeakPolarHBondContact O-CE 3.26Å; M155-K160 PolarHBondContact O-NZ 3.26Å; M155-H163 HydrophobicContact CE-CB 4.33Å
156	T	55.1	Low	65.3	Low	38 Å²	38	53.7 Å²	53.7	23%	0.233	26%	0.263	C	S	.	.			trans	-63.2	157	171.1	65.2	0	0	0	0	110.7	S154 K158 E159 K160 F278 M295	S154-T156 PolarHBondContact O-N 3.19Å; T156-K158 PolarHBondContact O-N 3.42Å; T156-E159 WeakPolarHBondContact CB-OE2 3.49Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.42Å; T156-E159 PolarHBondContact N-OE2 3.43Å; T156-E159 PolarHBondContact O-N 2.94Å; T156-E159 WeakPolarHBondContact OG1-CB 3.25Å; T156-E159 VanDerWaalsContact OG1-CD 3.26Å; T156-E159 WeakPolarHBondContact OG1-CG 3.48Å; T156-E159 PolarHBondContact OG1-N 3.42Å; T156-E159 VanDerWaalsContact OG1-N 3.15Å; T156-E159 PolarHBondContact OG1-OE2 2.95Å; T156-K160 WeakPolarHBondContact O-CG 3.43Å; T156-K160 PolarHBondContact O-N 2.94Å; T156-F278 HydrophobicContact CG2-CZ 4.11Å; T156-M295 HydrophobicContact CG2-CE 4Å
157	Q	51.1	Low	64.1	Low	32 Å²	32	50.7 Å²	50.7	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-31.4	177.7	-167.3	168.5	-6.1	0	0	112	L161 P764	Q157-L161 VanDerWaalsContact O-CB 3.29Å; Q157-L161 WeakPolarHBondContact O-CB 3.12Å; Q157-L161 PolarHBondContact O-N 3.07Å; Q157-P764 HydrophobicContact CG-CB 4.1Å; Q157-P764 PolarHBondContact NE2-O 2.9Å
158	K	52.8	Low	62.9	Low	114 Å²	114	50.9 Å²	50.9	50%	0.496	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-46.6	172.9	-174.9	-176.5	173.7	-173.9	0	112.1	T156 K160 L161 D162 M295	T156-K158 PolarHBondContact O-N 3.42Å; K158-K160 VanDerWaalsContact C-N 3.33Å; K158-K160 PolarHBondContact O-N 3.28Å; K158-L161 CarbonylContact O-C 3.51Å; K158-L161 WeakPolarHBondContact O-CA 3.38Å; K158-L161 WeakPolarHBondContact O-CB 3.26Å; K158-L161 PolarHBondContact O-N 3.21Å; K158-L161 VanDerWaalsContact O-N 3.09Å; K158-D162 PolarHBondContact O-N 2.99Å; K158-M295 HydrophobicContact CB-SD 4.11Å
159	E	58	Low	62.1	Low	73 Å²	73	52.1 Å²	52.1	34%	0.341	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-37.4	178.5	-71.1	162.7	136.2	0	0	112.2	M155 T156 L161 H163	M155-E159 HydrophobicContact CB-CB 4.38Å; M155-E159 HydrophobicContact CE-CB 3.8Å; T156-E159 WeakPolarHBondContact CB-OE2 3.49Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.42Å; T156-E159 PolarHBondContact N-OE2 3.43Å; T156-E159 PolarHBondContact O-N 2.94Å; T156-E159 WeakPolarHBondContact OG1-CB 3.25Å; T156-E159 VanDerWaalsContact OG1-CD 3.26Å; T156-E159 WeakPolarHBondContact OG1-CG 3.48Å; T156-E159 PolarHBondContact OG1-N 3.42Å; T156-E159 VanDerWaalsContact OG1-N 3.15Å; T156-E159 PolarHBondContact OG1-OE2 2.95Å; E159-L161 PolarHBondContact O-N 3.41Å; E159-H163 WeakPolarHBondContact O-CB 3.12Å; E159-H163 PolarHBondContact O-N 3.34Å
160	K	57.3	Low	61.1	Low	39 Å²	39	56.1 Å²	56.1	17%	0.17	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-40.1	171.9	-72.3	170.4	179.1	156.7	0	110.9	M90 V152 M155 T156 K158 W164	M90-K160 HydrophobicContact CE-CD 4.4Å; V152-K160 WeakPolarHBondContact O-CE 3.44Å; V152-K160 PolarHBondContact O-NZ 3.31Å; V152-K160 VanDerWaalsContact O-NZ 3.13Å; M155-K160 HydrophobicContact CB-CG 3.96Å; M155-K160 VanDerWaalsContact O-CE 3.27Å; M155-K160 WeakPolarHBondContact O-CE 3.26Å; M155-K160 PolarHBondContact O-NZ 3.26Å; T156-K160 WeakPolarHBondContact O-CG 3.43Å; T156-K160 PolarHBondContact O-N 2.94Å; K158-K160 VanDerWaalsContact C-N 3.33Å; K158-K160 PolarHBondContact O-N 3.28Å; K160-W164 WeakPolarHBondContact O-CB 3.41Å; K160-W164 PolarHBondContact O-N 3.07Å
161	L	53.9	Low	60.4	Low	23 Å²	23	58.2 Å²	58.2	12%	0.12	29%	0.288	C	S	.	.	H	α-helix	trans	-72.4	-47.6	179.2	-179.6	51.8	0	0	0	112.8	Q157 K158 E159 H163 W164 I165 M229	Q157-L161 VanDerWaalsContact O-CB 3.29Å; Q157-L161 WeakPolarHBondContact O-CB 3.12Å; Q157-L161 PolarHBondContact O-N 3.07Å; K158-L161 CarbonylContact O-C 3.51Å; K158-L161 WeakPolarHBondContact O-CA 3.38Å; K158-L161 WeakPolarHBondContact O-CB 3.26Å; K158-L161 PolarHBondContact O-N 3.21Å; K158-L161 VanDerWaalsContact O-N 3.09Å; E159-L161 PolarHBondContact O-N 3.41Å; L161-H163 VanDerWaalsContact C-N 3.26Å; L161-H163 PolarHBondContact O-N 2.78Å; L161-W164 HydrophobicContact CD1-CE3 3.78Å; L161-W164 HydrophobicContact CD1-CZ3 4.26Å; L161-W164 CarbonylContact O-C 3.53Å; L161-W164 WeakPolarHBondContact O-CB 3.43Å; L161-W164 PolarHBondContact O-N 2.75Å; L161-W164 VanDerWaalsContact O-N 3.11Å; L161-I165 HydrophobicContact CD1-CD1 3.84Å; L161-I165 HydrophobicContact CD1-CG1 3.95Å; L161-I165 HydrophobicContact CG-CD1 3.91Å; L161-I165 HydrophobicContact CG-CG1 4.44Å; L161-I165 WeakPolarHBondContact O-CG1 3.31Å; L161-I165 PolarHBondContact O-N 2.83Å; L161-M229 HydrophobicContact CD1-SD 4.39Å; L161-M229 HydrophobicContact CD2-CG 4.22Å; L161-M229 HydrophobicContact CD2-SD 3.35Å; L161-M229 WeakPolarHBondContact CD2-SD 3.37Å; L161-M229 HydrophobicContact CG-SD 3.72Å
162	D	57.1	Low	59.7	Low	57 Å²	57	56 Å²	56	31%	0.305	28%	0.281	S	S	.	.	H	α-helix	trans	-58.4	-44.7	176.9	-71.6	-16.1	0	0	0	109.7	K158 W164 I165 H166	K158-D162 PolarHBondContact O-N 2.99Å; D162-W164 PolarHBondContact O-N 3.35Å; D162-I165 PolarHBondContact O-N 3.5Å; D162-H166 PolarHBondContact O-CD2 3.38Å; D162-H166 PolarHBondContact O-N 3.27Å
163	H	60.2	Low	59.5	Low	28 Å²	28	56.8 Å²	56.8	13%	0.13	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-44.9	174.7	-172.7	65.3	0	0	0	112.7	D67 L69 M155 E159 L161 G167	D67-H163 PolarHBondContact O-CE1 2.89Å; D67-H163 PolarHBondContact O-NE2 3.38Å; L69-H163 VanDerWaalsContact CD1-CD2 3.41Å; L69-H163 WeakPolarHBondContact CD1-CD2 3.36Å; M155-H163 HydrophobicContact CE-CB 4.33Å; E159-H163 WeakPolarHBondContact O-CB 3.12Å; E159-H163 PolarHBondContact O-N 3.34Å; L161-H163 VanDerWaalsContact C-N 3.26Å; L161-H163 PolarHBondContact O-N 2.78Å; H163-G167 PolarHBondContact O-N 3.37Å
164	W	61.7	Low	59.3	Low	78 Å²	78	58.5 Å²	58.5	30%	0.295	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-44	177.1	-179	85.8	0	0	0	112.4	K160 L161 D162 G167 Y168 I192 F699	K160-W164 WeakPolarHBondContact O-CB 3.41Å; K160-W164 PolarHBondContact O-N 3.07Å; L161-W164 HydrophobicContact CD1-CE3 3.78Å; L161-W164 HydrophobicContact CD1-CZ3 4.26Å; L161-W164 CarbonylContact O-C 3.53Å; L161-W164 WeakPolarHBondContact O-CB 3.43Å; L161-W164 PolarHBondContact O-N 2.75Å; L161-W164 VanDerWaalsContact O-N 3.11Å; D162-W164 PolarHBondContact O-N 3.35Å; W164-G167 PolarHBondContact O-N 3.17Å; W164-Y168 AromaticContact CD1-CE2 3.86Å; W164-Y168 HydrophobicContact CD2-CD2 4.08Å; W164-Y168 HydrophobicContact CD2-CE2 4.12Å; W164-Y168 AromaticContact CE2-CD2 3.82Å; W164-Y168 AromaticContact CE2-CE2 3.42Å; W164-Y168 VanDerWaalsContact CE2-CE2 3.42Å; W164-Y168 HydrophobicContact CG-CD2 4.4Å; W164-Y168 HydrophobicContact CG-CE2 4.37Å; W164-Y168 HydrophobicContact CZ2-CD2 4.2Å; W164-Y168 AromaticContact CZ2-CE2 3.78Å; W164-Y168 HydrophobicContact CZ2-CE2 3.78Å; W164-Y168 AromaticContact NE1-CD2 3.93Å; W164-Y168 AromaticContact NE1-CE2 3.23Å; W164-Y168 WeakPolarHBondContact O-CD2 3.35Å; W164-Y168 PolarHBondContact O-N 3.4Å; W164-Y168 VanDerWaalsContact O-N 3.15Å; W164-I192 HydrophobicContact CH2-CB 3.57Å; W164-I192 HydrophobicContact CH2-CG2 3.46Å; W164-I192 VanDerWaalsContact CH2-CG2 3.46Å; W164-I192 HydrophobicContact CZ2-CB 4.45Å; W164-I192 HydrophobicContact CZ2-CG2 4.22Å; W164-I192 HydrophobicContact CZ3-CB 4.17Å; W164-I192 HydrophobicContact CZ3-CG2 3.78Å; W164-F699 HydrophobicContact CH2-CD2 4.27Å; W164-F699 AromaticContact CH2-CE2 3.93Å; W164-F699 HydrophobicContact CH2-CE2 3.93Å; W164-F699 AromaticContact CZ3-CE2 3.74Å; W164-F699 HydrophobicContact CZ3-CE2 3.74Å
165	I	59.4	Low	59.4	Low	19 Å²	19	57.7 Å²	57.7	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-48	178.2	-71	171.8	0	0	0	110.5	L161 D162 G167 Y168 L169 C225 M229	L161-I165 HydrophobicContact CD1-CD1 3.84Å; L161-I165 HydrophobicContact CD1-CG1 3.95Å; L161-I165 HydrophobicContact CG-CD1 3.91Å; L161-I165 HydrophobicContact CG-CG1 4.44Å; L161-I165 WeakPolarHBondContact O-CG1 3.31Å; L161-I165 PolarHBondContact O-N 2.83Å; D162-I165 PolarHBondContact O-N 3.5Å; I165-G167 PolarHBondContact O-N 2.81Å; I165-Y168 PolarHBondContact O-N 2.62Å; I165-Y168 VanDerWaalsContact O-N 3.08Å; I165-L169 HydrophobicContact CG2-CD1 3.7Å; I165-L169 HydrophobicContact CG2-CG 3.97Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.5Å; I165-C225 HydrophobicContact CG2-CB 4.39Å; I165-M229 HydrophobicContact CD1-CE 3.63Å; I165-M229 HydrophobicContact CD1-CG 4.27Å; I165-M229 HydrophobicContact CD1-SD 3.3Å; I165-M229 WeakPolarHBondContact CD1-SD 3.21Å
166	H	61.9	Low	59.3	Low	80 Å²	80	65.4 Å²	65.4	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-36	177.6	-75.1	-61.9	0	0	0	112.6	D162 K170	D162-H166 PolarHBondContact O-CD2 3.38Å; D162-H166 PolarHBondContact O-N 3.27Å; H166-K170 PolarHBondContact O-N 3.34Å
167	G	61.7	Low	60.1	Low	24 Å²	24	67.1 Å²	67.1	25%	0.247	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-46.8	172.7	0	0	0	0	0	112.8	H163 W164 I165 H171	H163-G167 PolarHBondContact O-N 3.37Å; W164-G167 PolarHBondContact O-N 3.17Å; I165-G167 PolarHBondContact O-N 2.81Å; G167-H171 PolarHBondContact O-ND1 2.74Å
168	Y	60.9	Low	60.7	Low	72 Å²	72	67.6 Å²	67.6	28%	0.282	33%	0.332	S	S	.	.	H	α-helix	trans	-73.4	-35.6	179.7	-84.7	-100.1	0	0	0	113.4	W164 I165 K170 H171 A172 M191 I192	W164-Y168 AromaticContact CD1-CE2 3.86Å; W164-Y168 HydrophobicContact CD2-CD2 4.08Å; W164-Y168 HydrophobicContact CD2-CE2 4.12Å; W164-Y168 AromaticContact CE2-CD2 3.82Å; W164-Y168 AromaticContact CE2-CE2 3.42Å; W164-Y168 VanDerWaalsContact CE2-CE2 3.42Å; W164-Y168 HydrophobicContact CG-CD2 4.4Å; W164-Y168 HydrophobicContact CG-CE2 4.37Å; W164-Y168 HydrophobicContact CZ2-CD2 4.2Å; W164-Y168 AromaticContact CZ2-CE2 3.78Å; W164-Y168 HydrophobicContact CZ2-CE2 3.78Å; W164-Y168 AromaticContact NE1-CD2 3.93Å; W164-Y168 AromaticContact NE1-CE2 3.23Å; W164-Y168 WeakPolarHBondContact O-CD2 3.35Å; W164-Y168 PolarHBondContact O-N 3.4Å; W164-Y168 VanDerWaalsContact O-N 3.15Å; I165-Y168 PolarHBondContact O-N 2.62Å; I165-Y168 VanDerWaalsContact O-N 3.08Å; Y168-K170 VanDerWaalsContact C-N 3.28Å; Y168-K170 PolarHBondContact O-N 3.43Å; Y168-H171 PolarHBondContact O-N 3.29Å; Y168-H171 VanDerWaalsContact O-N 3.08Å; Y168-A172 WeakPolarHBondContact O-CB 3.43Å; Y168-A172 PolarHBondContact O-N 3.35Å; Y168-M191 HydrophobicContact CD1-CB 3.66Å; Y168-M191 HydrophobicContact CD1-CE 3.75Å; Y168-M191 HydrophobicContact CE1-CB 3.76Å; Y168-M191 HydrophobicContact CE1-CE 4.02Å; Y168-M191 WeakPolarHBondContact CE1-O 3.47Å; Y168-I192 HydrophobicContact CD1-CG2 3.91Å; Y168-I192 HydrophobicContact CE1-CG2 4.42Å; Y168-I192 HydrophobicContact CG-CG2 4.09Å
169	L	63.2	Low	61.9	Low	27 Å²	27	65.5 Å²	65.5	14%	0.141	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-41.8	175.9	-72.5	176.9	0	0	0	111.7	I165 H171 A172 D173 M180 L188 I221	I165-L169 HydrophobicContact CG2-CD1 3.7Å; I165-L169 HydrophobicContact CG2-CG 3.97Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.5Å; L169-H171 VanDerWaalsContact C-N 3.3Å; L169-H171 PolarHBondContact O-N 2.55Å; L169-A172 PolarHBondContact O-N 3.39Å; L169-D173 PolarHBondContact O-N 2.98Å; L169-M180 HydrophobicContact CD2-CE 3.85Å; L169-M180 HydrophobicContact CD2-SD 4.21Å; L169-L188 HydrophobicContact CD2-CD1 4.27Å; L169-L188 HydrophobicContact CD2-CD2 3.57Å; L169-I221 HydrophobicContact CD1-CG2 3.71Å; L169-I221 HydrophobicContact CD2-CG2 3.38Å; L169-I221 HydrophobicContact CG-CG2 4.18Å
170	K	60.7	Low	62.8	Low	135 Å²	135	62.2 Å²	62.2	59%	0.587	31%	0.308	S	S	*	.	H	α-helix	trans	-66.9	-29.2	176.7	-168.3	177.4	-178.1	-177.4	0	113.4	E66 H166 Y168	E66-K170 IonicContact OE2-NZ 3.89Å; E66-K170 PolarHBondContact OE2-NZ 3.36Å; H166-K170 PolarHBondContact O-N 3.34Å; Y168-K170 VanDerWaalsContact C-N 3.28Å; Y168-K170 PolarHBondContact O-N 3.43Å
171	H	60.7	Low	64.1	Low	137 Å²	137	62 Å²	62	63%	0.634	31%	0.31	S	S	*	.	H	α-helix	trans	-84.2	-26.9	178.4	-73.5	83.4	0	0	0	112.9	G167 Y168 L169 M191	G167-H171 PolarHBondContact O-ND1 2.74Å; Y168-H171 PolarHBondContact O-N 3.29Å; Y168-H171 VanDerWaalsContact O-N 3.08Å; L169-H171 VanDerWaalsContact C-N 3.3Å; L169-H171 PolarHBondContact O-N 2.55Å; H171-M191 HydrophobicContact CB-CE 3.75Å
172	A	58.4	Low	65.5	Low	4 Å²	4	62.5 Å²	62.5	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-80.9	-24.5	178	0	0	0	0	0	113.1	Y168 L169 E174 M180 L188	Y168-A172 WeakPolarHBondContact O-CB 3.43Å; Y168-A172 PolarHBondContact O-N 3.35Å; L169-A172 PolarHBondContact O-N 3.39Å; A172-E174 PolarHBondContact O-N 2.94Å; A172-E174 VanDerWaalsContact O-N 3.11Å; A172-M180 HydrophobicContact CB-SD 4.24Å; A172-L188 HydrophobicContact CB-CB 3.79Å; A172-L188 HydrophobicContact CB-CD1 3.92Å; A172-L188 HydrophobicContact CB-CG 4.4Å
173	D	63.8	Low	66.6	Low	26 Å²	26	64.8 Å²	64.8	14%	0.139	32%	0.323	C	S	.	.			trans	-77.1	83.1	172	-176.2	2.3	0	0	0	110.8	L169 N175 Q176 D177 G178	L169-D173 PolarHBondContact O-N 2.98Å; D173-N175 VanDerWaalsContact C-N 3.31Å; D173-N175 PolarHBondContact O-N 3.3Å; D173-N175 PolarHBondContact OD1-OD1 3.36Å; D173-Q176 WeakPolarHBondContact OD1-CA 3.47Å; D173-Q176 PolarHBondContact OD1-N 3.37Å; D173-Q176 WeakPolarHBondContact OD2-CA 3.44Å; D173-D177 PolarHBondContact OD1-N 3.3Å; D173-G178 WeakPolarHBondContact OD2-CA 3.38Å; D173-G178 PolarHBondContact OD2-N 3.36Å; D173-G178 VanDerWaalsContact OD2-N 3.1Å
174	E	60.7	Low	67.5	Low	123 Å²	123	63.8 Å²	63.8	58%	0.575	32%	0.319	S	S	*	.	S	Bend	trans	-67.9	-30.1	-176.6	-76.4	-173.5	167.3	0	0	113.4	A172 R187	A172-E174 PolarHBondContact O-N 2.94Å; A172-E174 VanDerWaalsContact O-N 3.11Å; E174-R187 IonicContact OE1-CZ 2.74Å; E174-R187 IonicContact OE1-NE 3.86Å; E174-R187 IonicContact OE1-NH1 3.9Å; E174-R187 PolarHBondContact OE1-NH1 3.08Å; E174-R187 IonicContact OE1-NH2 2.8Å; E174-R187 IonicContact OE2-CZ 3.66Å; E174-R187 IonicContact OE2-NH1 3.64Å; E174-R187 PolarHBondContact OE2-NH1 3.12Å; E174-R187 IonicContact OE2-NH2 2.78Å; E174-R187 PolarHBondContact OE2-NH2 2.74Å
175	N	64.7	Low	68.2	Low	73 Å²	73	60.1 Å²	60.1	39%	0.39	31%	0.305	S	S	.	.	S	Bend	trans	-94.1	-9.5	-174.8	67.8	40.2	0	0	0	112.4	D173 D177 E184	D173-N175 VanDerWaalsContact C-N 3.31Å; D173-N175 PolarHBondContact O-N 3.3Å; D173-N175 PolarHBondContact OD1-OD1 3.36Å; N175-D177 PolarHBondContact ND2-OD2 3.46Å; N175-D177 PolarHBondContact O-N 3.24Å; N175-D177 WeakPolarHBondContact OD1-CA 3.25Å; N175-D177 WeakPolarHBondContact OD1-CB 3.42Å; N175-D177 PolarHBondContact OD1-N 2.91Å; N175-D177 PolarHBondContact OD1-OD1 3.34Å; N175-D177 VanDerWaalsContact OD1-OD1 3.09Å; N175-D177 PolarHBondContact OD1-OD2 2.84Å; N175-E184 PolarHBondContact ND2-OE1 2.73Å
176	Q	62.8	Low	69	Low	171 Å²	171	62.6 Å²	62.6	80%	0.799	32%	0.315	S	S	*	.			trans	56.7	27.2	-179.5	-58	-177.3	1.2	0	0	113.4	D173 G178	D173-Q176 WeakPolarHBondContact OD1-CA 3.47Å; D173-Q176 PolarHBondContact OD1-N 3.37Å; D173-Q176 WeakPolarHBondContact OD2-CA 3.44Å; Q176-G178 VanDerWaalsContact C-N 3.3Å
177	D	70.3	Confident	69.6	Low	74 Å²	74	62.8 Å²	62.8	40%	0.396	31%	0.313	S	S	.	.	S	Bend	trans	-85.7	-4.4	-179.3	80.3	12.9	0	0	0	112.8	D173 N175 K179 R215	D173-D177 PolarHBondContact OD1-N 3.3Å; N175-D177 PolarHBondContact ND2-OD2 3.46Å; N175-D177 PolarHBondContact O-N 3.24Å; N175-D177 WeakPolarHBondContact OD1-CA 3.25Å; N175-D177 WeakPolarHBondContact OD1-CB 3.42Å; N175-D177 PolarHBondContact OD1-N 2.91Å; N175-D177 PolarHBondContact OD1-OD1 3.34Å; N175-D177 VanDerWaalsContact OD1-OD1 3.09Å; N175-D177 PolarHBondContact OD1-OD2 2.84Å; D177-K179 VanDerWaalsContact C-N 3.26Å; D177-K179 PolarHBondContact O-N 3.48Å; D177-K179 WeakPolarHBondContact OD1-CA 3.31Å; D177-K179 WeakPolarHBondContact OD1-CB 3.45Å; D177-K179 PolarHBondContact OD1-N 3.03Å; D177-R215 IonicContact OD2-CZ 3.12Å; D177-R215 IonicContact OD2-NH1 2.73Å; D177-R215 PolarHBondContact OD2-NH1 2.95Å
178	G	63.8	Low	70.2	Confident	42 Å²	42	62 Å²	62	43%	0.433	30%	0.302	S	S	.	.	S	Bend	trans	76.6	9.5	178.3	0	0	0	0	0	114.2	D173 Q176	D173-G178 WeakPolarHBondContact OD2-CA 3.38Å; D173-G178 PolarHBondContact OD2-N 3.36Å; D173-G178 VanDerWaalsContact OD2-N 3.1Å; Q176-G178 VanDerWaalsContact C-N 3.3Å
179	K	77.9	Confident	70.8	Confident	71 Å²	71	58.7 Å²	58.7	31%	0.309	29%	0.29	S	S	.	.			trans	-127.3	149.9	172.4	-62.3	-171.6	168.7	-166.5	0	110.2	D177 D213 R215 L216 D217	D177-K179 VanDerWaalsContact C-N 3.26Å; D177-K179 PolarHBondContact O-N 3.48Å; D177-K179 WeakPolarHBondContact OD1-CA 3.31Å; D177-K179 WeakPolarHBondContact OD1-CB 3.45Å; D177-K179 PolarHBondContact OD1-N 3.03Å; K179-D213 IonicContact NZ-OD2 2.69Å; K179-D213 PolarHBondContact NZ-OD2 2.93Å; K179-R215 HydrophobicContact CB-CB 4.19Å; K179-R215 HydrophobicContact CD-CB 4.44Å; K179-L216 CarbonylContact C-O 3.55Å; K179-L216 VanDerWaalsContact CA-O 3.3Å; K179-L216 WeakPolarHBondContact CA-O 2.85Å; K179-D217 HydrophobicContact CG-CB 4.43Å
180	M	77.6	Confident	71.3	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.1	178.2	-70.1	-163.1	-53.8	0	0	112.7	L169 A172 E184 V185 L188 R215 L216 I221	L169-M180 HydrophobicContact CD2-CE 3.85Å; L169-M180 HydrophobicContact CD2-SD 4.21Å; A172-M180 HydrophobicContact CB-SD 4.24Å; M180-E184 HydrophobicContact CB-CB 4.22Å; M180-E184 HydrophobicContact CG-CB 4.4Å; M180-V185 HydrophobicContact CB-CG2 4.01Å; M180-V185 HydrophobicContact CE-CG2 3.72Å; M180-L188 HydrophobicContact CE-CD2 3.77Å; M180-L188 HydrophobicContact SD-CD2 4.24Å; M180-R215 CarbonylContact O-C 3.58Å; M180-R215 VanDerWaalsContact O-CA 3.31Å; M180-R215 WeakPolarHBondContact O-CA 3.5Å; M180-L216 PolarHBondContact N-O 3.1Å; M180-L216 PolarHBondContact O-N 3.47Å; M180-I221 HydrophobicContact CB-CD1 4.11Å; M180-I221 HydrophobicContact CE-CB 4.34Å; M180-I221 HydrophobicContact CE-CD1 3.68Å; M180-I221 HydrophobicContact CE-CG1 3.58Å; M180-I221 HydrophobicContact CE-CG2 3.86Å; M180-I221 HydrophobicContact CG-CD1 3.74Å; M180-I221 HydrophobicContact SD-CD1 4.3Å
181	T	84.3	Confident	71.4	Confident	34 Å²	34	55.3 Å²	55.3	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	166.4	166.3	61.5	0	0	0	0	111.9	D183 E184 V185 R215	T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 2.82Å; T181-E184 WeakPolarHBondContact CB-OE2 3.49Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.27Å; T181-E184 PolarHBondContact N-OE2 2.81Å; T181-E184 PolarHBondContact O-N 3.06Å; T181-E184 VanDerWaalsContact OG1-CD 3.31Å; T181-E184 WeakPolarHBondContact OG1-CG 3.45Å; T181-E184 PolarHBondContact OG1-N 3.18Å; T181-E184 PolarHBondContact OG1-OE2 2.95Å; T181-V185 WeakPolarHBondContact O-CG2 3.22Å; T181-V185 PolarHBondContact O-N 3.26Å; T181-R215 HydrophobicContact CG2-CG 4.21Å
182	F	82.9	Confident	71.7	Confident	35 Å²	35	49.3 Å²	49.3	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-37.3	175.8	-177.5	-98.8	0	0	0	113	V185 K186 E198 T201 R202 F205	F182-V185 PolarHBondContact O-N 3Å; F182-K186 WeakPolarHBondContact O-CB 3.34Å; F182-K186 PolarHBondContact O-N 3.46Å; F182-E198 HydrophobicContact CE1-CG 4.48Å; F182-E198 HydrophobicContact CZ-CG 4.28Å; F182-T201 HydrophobicContact CE2-CG2 3.72Å; F182-T201 HydrophobicContact CZ-CG2 3.97Å; F182-R202 HydrophobicContact CD2-CG 4.31Å; F182-R202 HydrophobicContact CE1-CG 4.15Å; F182-R202 HydrophobicContact CE2-CB 4.19Å; F182-R202 HydrophobicContact CE2-CG 3.46Å; F182-R202 VanDerWaalsContact CE2-CG 3.46Å; F182-R202 HydrophobicContact CZ-CB 4.44Å; F182-R202 HydrophobicContact CZ-CG 3.37Å; F182-F205 HydrophobicContact CB-CD2 4.44Å; F182-F205 HydrophobicContact CB-CE2 4.15Å; F182-F205 HydrophobicContact CB-CZ 4.22Å; F182-F205 HydrophobicContact CD2-CB 4.01Å; F182-F205 HydrophobicContact CD2-CD1 4.27Å; F182-F205 AromaticContact CD2-CD2 3.88Å; F182-F205 HydrophobicContact CD2-CD2 3.88Å; F182-F205 HydrophobicContact CD2-CE2 4.43Å; F182-F205 AromaticContact CD2-CG 3.79Å; F182-F205 HydrophobicContact CD2-CG 3.79Å; F182-F205 HydrophobicContact CE2-CB 4.27Å
183	D	80.2	Confident	72.2	Confident	104 Å²	104	49.4 Å²	49.4	56%	0.556	25%	0.248	S	C	*	.	H	α-helix	trans	-71.8	-34.9	179.1	-67.2	-36.6	0	0	0	112.1	T181 K186 R187	T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 2.82Å; D183-K186 PolarHBondContact O-N 2.79Å; D183-R187 WeakPolarHBondContact O-CG 3.48Å; D183-R187 PolarHBondContact O-N 3.09Å; D183-R187 PolarHBondContact O-NE 3.4Å
184	E	79.3	Confident	72.7	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-38.9	171.2	-72.3	161.3	156.9	0	0	111.3	N175 M180 T181 R187 L188	N175-E184 PolarHBondContact ND2-OE1 2.73Å; M180-E184 HydrophobicContact CB-CB 4.22Å; M180-E184 HydrophobicContact CG-CB 4.4Å; T181-E184 WeakPolarHBondContact CB-OE2 3.49Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.27Å; T181-E184 PolarHBondContact N-OE2 2.81Å; T181-E184 PolarHBondContact O-N 3.06Å; T181-E184 VanDerWaalsContact OG1-CD 3.31Å; T181-E184 WeakPolarHBondContact OG1-CG 3.45Å; T181-E184 PolarHBondContact OG1-N 3.18Å; T181-E184 PolarHBondContact OG1-OE2 2.95Å; E184-R187 PolarHBondContact O-N 2.71Å; E184-L188 WeakPolarHBondContact O-CB 3.31Å; E184-L188 PolarHBondContact O-N 3.1Å
185	V	77.4	Confident	73.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-41.9	171.4	171.9	0	0	0	0	111.5	M180 T181 F182 R187 L188 L189 F205 L216 F224	M180-V185 HydrophobicContact CB-CG2 4.01Å; M180-V185 HydrophobicContact CE-CG2 3.72Å; T181-V185 WeakPolarHBondContact O-CG2 3.22Å; T181-V185 PolarHBondContact O-N 3.26Å; F182-V185 PolarHBondContact O-N 3Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 3Å; V185-L188 WeakPolarHBondContact O-CB 3.38Å; V185-L188 PolarHBondContact O-N 2.75Å; V185-L189 HydrophobicContact CG1-CD1 4.37Å; V185-L189 HydrophobicContact CG1-CG 4.45Å; V185-L189 WeakPolarHBondContact O-CG 3.48Å; V185-L189 PolarHBondContact O-N 2.69Å; V185-F205 HydrophobicContact CB-CD2 4.19Å; V185-F205 HydrophobicContact CB-CE2 4.34Å; V185-F205 HydrophobicContact CG1-CD2 4.32Å; V185-F205 HydrophobicContact CG2-CD2 3.88Å; V185-F205 HydrophobicContact CG2-CE2 3.75Å; V185-L216 HydrophobicContact CG2-CD1 3.96Å; V185-F224 HydrophobicContact CG1-CE1 3.86Å; V185-F224 HydrophobicContact CG1-CE2 3.98Å; V185-F224 HydrophobicContact CG1-CZ 3.46Å; V185-F224 VanDerWaalsContact CG1-CZ 3.46Å
186	K	76.4	Confident	73.2	Confident	71 Å²	71	43.5 Å²	43.5	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-62.4	-41.1	176.4	-171.4	174.5	-178.3	176.1	0	111.2	F182 D183 L189 Q190	F182-K186 WeakPolarHBondContact O-CB 3.34Å; F182-K186 PolarHBondContact O-N 3.46Å; D183-K186 PolarHBondContact O-N 2.79Å; K186-L189 PolarHBondContact O-N 3.28Å; K186-Q190 WeakPolarHBondContact O-CG 3.11Å; K186-Q190 PolarHBondContact O-N 3.44Å
187	R	74.1	Confident	73.4	Confident	85 Å²	85	40.6 Å²	40.6	32%	0.321	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-43.1	173.3	-76.1	-177	-76.4	-165.5	6.9	112.1	E174 D183 E184 V185 L189 Q190 M191	E174-R187 IonicContact OE1-CZ 2.74Å; E174-R187 IonicContact OE1-NE 3.86Å; E174-R187 IonicContact OE1-NH1 3.9Å; E174-R187 PolarHBondContact OE1-NH1 3.08Å; E174-R187 IonicContact OE1-NH2 2.8Å; E174-R187 IonicContact OE2-CZ 3.66Å; E174-R187 IonicContact OE2-NH1 3.64Å; E174-R187 PolarHBondContact OE2-NH1 3.12Å; E174-R187 IonicContact OE2-NH2 2.78Å; E174-R187 PolarHBondContact OE2-NH2 2.74Å; D183-R187 WeakPolarHBondContact O-CG 3.48Å; D183-R187 PolarHBondContact O-N 3.09Å; D183-R187 PolarHBondContact O-NE 3.4Å; E184-R187 PolarHBondContact O-N 2.71Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 3Å; R187-L189 PolarHBondContact O-N 2.94Å; R187-Q190 PolarHBondContact O-N 3.18Å; R187-M191 WeakPolarHBondContact O-CB 3.35Å; R187-M191 VanDerWaalsContact O-CG 3.27Å; R187-M191 WeakPolarHBondContact O-CG 3.3Å; R187-M191 PolarHBondContact O-N 3.19Å
188	L	74.6	Confident	73.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-55.5	-50.5	173.6	177.1	68	0	0	0	111	L169 A172 M180 E184 V185 Q190 M191 I192	L169-L188 HydrophobicContact CD2-CD1 4.27Å; L169-L188 HydrophobicContact CD2-CD2 3.57Å; A172-L188 HydrophobicContact CB-CB 3.79Å; A172-L188 HydrophobicContact CB-CD1 3.92Å; A172-L188 HydrophobicContact CB-CG 4.4Å; M180-L188 HydrophobicContact CE-CD2 3.77Å; M180-L188 HydrophobicContact SD-CD2 4.24Å; E184-L188 WeakPolarHBondContact O-CB 3.31Å; E184-L188 PolarHBondContact O-N 3.1Å; V185-L188 WeakPolarHBondContact O-CB 3.38Å; V185-L188 PolarHBondContact O-N 2.75Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.76Å; L188-M191 WeakPolarHBondContact O-CB 3.29Å; L188-M191 PolarHBondContact O-N 3.16Å; L188-M191 VanDerWaalsContact O-N 3.1Å; L188-I192 HydrophobicContact CD1-CG2 4.35Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 2.57Å
189	L	73.1	Confident	73.9	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-45.7	178.1	-70.3	177.6	0	0	0	111.8	V185 K186 R187 M191 I192 N193 I194 L196 T201 F224 L228	V185-L189 HydrophobicContact CG1-CD1 4.37Å; V185-L189 HydrophobicContact CG1-CG 4.45Å; V185-L189 WeakPolarHBondContact O-CG 3.48Å; V185-L189 PolarHBondContact O-N 2.69Å; K186-L189 PolarHBondContact O-N 3.28Å; R187-L189 PolarHBondContact O-N 2.94Å; L189-M191 VanDerWaalsContact C-N 3.34Å; L189-M191 PolarHBondContact O-N 3.24Å; L189-I192 HydrophobicContact CD2-CD1 4.02Å; L189-I192 WeakPolarHBondContact O-CG1 3.41Å; L189-I192 PolarHBondContact O-N 3.03Å; L189-N193 PolarHBondContact O-N 3.07Å; L189-I194 CarbonylContact C-O 3.45Å; L189-I194 HydrophobicContact CD2-CD1 4.4Å; L189-I194 PolarHBondContact O-N 3.2Å; L189-L196 HydrophobicContact CD1-CB 4.46Å; L189-L196 HydrophobicContact CD1-CD1 4.03Å; L189-L196 HydrophobicContact CD1-CG 4.44Å; L189-L196 HydrophobicContact CD2-CD1 4.24Å; L189-T201 HydrophobicContact CD1-CG2 3.46Å; L189-T201 VanDerWaalsContact CD1-CG2 3.46Å; L189-F224 HydrophobicContact CD1-CZ 4.37Å; L189-F224 HydrophobicContact CD2-CE1 4.09Å; L189-F224 HydrophobicContact CD2-CZ 4.22Å; L189-L228 HydrophobicContact CD2-CD1 4.2Å; L189-L228 HydrophobicContact CD2-CD2 3.88Å
190	Q	72.7	Confident	73.6	Confident	36 Å²	36	47.8 Å²	47.8	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-44	175.4	-72.2	175	-14	0	0	111.1	K186 R187 L188 I192 N193 I194 K661 I670	K186-Q190 WeakPolarHBondContact O-CG 3.11Å; K186-Q190 PolarHBondContact O-N 3.44Å; R187-Q190 PolarHBondContact O-N 3.18Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.76Å; Q190-I192 VanDerWaalsContact C-N 3.32Å; Q190-I192 PolarHBondContact O-N 2.77Å; Q190-N193 PolarHBondContact O-N 2.8Å; Q190-N193 VanDerWaalsContact O-N 3.16Å; Q190-I194 PolarHBondContact N-O 3.28Å; Q190-K661 WeakPolarHBondContact O-CE 3.48Å; Q190-K661 PolarHBondContact O-NZ 3.45Å; Q190-I670 HydrophobicContact CG-CD1 4.28Å
191	M	64.6	Low	73.5	Confident	55 Å²	55	47.8 Å²	47.8	27%	0.271	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-36.2	178.1	-72.9	178.3	74.6	0	0	113	Y168 H171 R187 L188 L189 N193 K661	Y168-M191 HydrophobicContact CD1-CB 3.66Å; Y168-M191 HydrophobicContact CD1-CE 3.75Å; Y168-M191 HydrophobicContact CE1-CB 3.76Å; Y168-M191 HydrophobicContact CE1-CE 4.02Å; Y168-M191 WeakPolarHBondContact CE1-O 3.47Å; H171-M191 HydrophobicContact CB-CE 3.75Å; R187-M191 WeakPolarHBondContact O-CB 3.35Å; R187-M191 VanDerWaalsContact O-CG 3.27Å; R187-M191 WeakPolarHBondContact O-CG 3.3Å; R187-M191 PolarHBondContact O-N 3.19Å; L188-M191 WeakPolarHBondContact O-CB 3.29Å; L188-M191 PolarHBondContact O-N 3.16Å; L188-M191 VanDerWaalsContact O-N 3.1Å; L189-M191 VanDerWaalsContact C-N 3.34Å; L189-M191 PolarHBondContact O-N 3.24Å; M191-N193 VanDerWaalsContact C-N 3.25Å; M191-N193 PolarHBondContact O-N 3.39Å; M191-K661 WeakPolarHBondContact O-CE 3.21Å
192	I	65.4	Low	73.3	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.062	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	13.7	177.5	66.7	177.2	0	0	0	114	W164 Y168 L188 L189 Q190 I194 L228 F699	W164-I192 HydrophobicContact CH2-CB 3.57Å; W164-I192 HydrophobicContact CH2-CG2 3.46Å; W164-I192 VanDerWaalsContact CH2-CG2 3.46Å; W164-I192 HydrophobicContact CZ2-CB 4.45Å; W164-I192 HydrophobicContact CZ2-CG2 4.22Å; W164-I192 HydrophobicContact CZ3-CB 4.17Å; W164-I192 HydrophobicContact CZ3-CG2 3.78Å; Y168-I192 HydrophobicContact CD1-CG2 3.91Å; Y168-I192 HydrophobicContact CE1-CG2 4.42Å; Y168-I192 HydrophobicContact CG-CG2 4.09Å; L188-I192 HydrophobicContact CD1-CG2 4.35Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 2.57Å; L189-I192 HydrophobicContact CD2-CD1 4.02Å; L189-I192 WeakPolarHBondContact O-CG1 3.41Å; L189-I192 PolarHBondContact O-N 3.03Å; Q190-I192 VanDerWaalsContact C-N 3.32Å; Q190-I192 PolarHBondContact O-N 2.77Å; I192-I194 HydrophobicContact CD1-CD1 3.92Å; I192-I194 HydrophobicContact CG1-CD1 4.05Å; I192-I194 HydrophobicContact CG1-CG1 4.14Å; I192-L228 HydrophobicContact CD1-CD2 3.4Å; I192-L228 VanDerWaalsContact CD1-CD2 3.4Å; I192-F699 HydrophobicContact CB-CD2 4.39Å; I192-F699 WeakPolarHBondContact O-CD2 3.22Å
193	N	68.9	Low	73.2	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.027	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	42.9	174.3	-152.7	17.9	0	0	0	114.9	L189 Q190 M191 L659 P660 K661 I670 V671 G698 F699	L189-N193 PolarHBondContact O-N 3.07Å; Q190-N193 PolarHBondContact O-N 2.8Å; Q190-N193 VanDerWaalsContact O-N 3.16Å; M191-N193 VanDerWaalsContact C-N 3.25Å; M191-N193 PolarHBondContact O-N 3.39Å; N193-L659 PolarHBondContact ND2-O 3.38Å; N193-P660 PolarHBondContact ND2-O 3.04Å; N193-K661 HydrophobicContact CB-CD 4.49Å; N193-K661 HydrophobicContact CB-CG 3.8Å; N193-K661 VanDerWaalsContact CG-CG 3.43Å; N193-K661 WeakPolarHBondContact OD1-CG 3.48Å; N193-I670 WeakPolarHBondContact OD1-CA 3.44Å; N193-V671 VanDerWaalsContact ND2-CG2 3.28Å; N193-V671 WeakPolarHBondContact ND2-CG2 3.49Å; N193-V671 PolarHBondContact OD1-N 2.85Å; N193-G698 WeakPolarHBondContact O-CA 3.48Å; N193-G698 PolarHBondContact O-N 3.29Å; N193-F699 PolarHBondContact O-N 2.93Å
194	I	74.5	Confident	73.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-138.7	134.1	176.3	-40.6	174.9	0	0	0	111.1	L189 Q190 I192 L196 L228 F699	L189-I194 CarbonylContact C-O 3.45Å; L189-I194 HydrophobicContact CD2-CD1 4.4Å; L189-I194 PolarHBondContact O-N 3.2Å; Q190-I194 PolarHBondContact N-O 3.28Å; I192-I194 HydrophobicContact CD1-CD1 3.92Å; I192-I194 HydrophobicContact CG1-CD1 4.05Å; I192-I194 HydrophobicContact CG1-CG1 4.14Å; I194-L196 HydrophobicContact CG2-CD2 3.56Å; I194-L196 HydrophobicContact CG2-CG 3.54Å; I194-L228 HydrophobicContact CD1-CD1 3.9Å; I194-L228 HydrophobicContact CD1-CD2 4.02Å; I194-L228 HydrophobicContact CD1-CG 4.29Å; I194-F699 HydrophobicContact CD1-CB 3.23Å; I194-F699 HydrophobicContact CD1-CD1 3.36Å; I194-F699 HydrophobicContact CD1-CD2 4.25Å; I194-F699 HydrophobicContact CD1-CE1 4.25Å; I194-F699 HydrophobicContact CD1-CG 3.37Å; I194-F699 HydrophobicContact CG1-CB 3.11Å; I194-F699 HydrophobicContact CG1-CD1 4.28Å; I194-F699 HydrophobicContact CG1-CG 3.82Å
195	D	69.6	Low	73.4	Confident	72 Å²	72	50 Å²	50	39%	0.385	24%	0.239	S	C	.	.			trans	-114.8	89.4	159.3	-156.7	11.9	0	0	0	108.3	I670 N696	D195-I670 HydrophobicContact CB-CD1 3.57Å; D195-N696 HydrophobicContact CB-CB 3.73Å; D195-N696 PolarHBondContact N-O 2.84Å
196	L	66.8	Low	73.7	Confident	27 Å²	27	57.4 Å²	57.4	14%	0.141	27%	0.272	C	S	.	.			trans	-71.4	138.5	173.8	-68.1	178.4	0	0	0	108.5	L189 I194 E198 T201 L228	L189-L196 HydrophobicContact CD1-CB 4.46Å; L189-L196 HydrophobicContact CD1-CD1 4.03Å; L189-L196 HydrophobicContact CD1-CG 4.44Å; L189-L196 HydrophobicContact CD2-CD1 4.24Å; I194-L196 HydrophobicContact CG2-CD2 3.56Å; I194-L196 HydrophobicContact CG2-CG 3.54Å; L196-E198 PolarHBondContact O-N 3.41Å; L196-E198 VanDerWaalsContact O-N 3.15Å; L196-T201 WeakPolarHBondContact CB-OG1 3.43Å; L196-T201 PolarHBondContact O-OG1 3.41Å; L196-L228 HydrophobicContact CD1-CD1 3.99Å
197	N	66.9	Low	74.1	Confident	110 Å²	110	61.1 Å²	61.1	59%	0.588	28%	0.283	S	S	*	.			trans	-44.2	126.6	169.9	173.8	-1.4	0	0	0	109.4	Q199 H200 T201	N197-Q199 PolarHBondContact O-N 3.13Å; N197-Q199 PolarHBondContact OD1-N 2.68Å; N197-H200 HydrophobicContact CB-CB 4.34Å; N197-H200 WeakPolarHBondContact O-CA 3.33Å; N197-H200 WeakPolarHBondContact O-CB 3.04Å; N197-H200 PolarHBondContact O-N 3.06Å; N197-T201 PolarHBondContact O-N 2.86Å; N197-T201 PolarHBondContact O-OG1 3.4Å
198	E	73.1	Confident	74.5	Confident	84 Å²	84	57.1 Å²	57.1	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-50.4	-36.4	-176.6	-174.9	172.1	174.2	0	0	112.4	F182 L196 T201 R202	F182-E198 HydrophobicContact CE1-CG 4.48Å; F182-E198 HydrophobicContact CZ-CG 4.28Å; L196-E198 PolarHBondContact O-N 3.41Å; L196-E198 VanDerWaalsContact O-N 3.15Å; E198-T201 PolarHBondContact O-N 3.11Å; E198-R202 HydrophobicContact CG-CG 4.33Å; E198-R202 VanDerWaalsContact O-CB 3.27Å; E198-R202 WeakPolarHBondContact O-CB 3.42Å; E198-R202 WeakPolarHBondContact O-CG 3.28Å; E198-R202 PolarHBondContact O-N 3.18Å; E198-R202 IonicContact OE1-CZ 3.79Å; E198-R202 IonicContact OE1-NE 3.94Å; E198-R202 PolarHBondContact OE1-NE 3.12Å; E198-R202 IonicContact OE1-NH2 2.8Å; E198-R202 PolarHBondContact OE1-NH2 3.2Å
199	Q	71.3	Confident	75	Confident	142 Å²	142	57.7 Å²	57.7	66%	0.664	27%	0.272	S	S	*	.	H	α-helix	trans	-66.3	-40.2	176.4	-166.3	173.9	6	0	0	112.4	N197 C203	N197-Q199 PolarHBondContact O-N 3.13Å; N197-Q199 PolarHBondContact OD1-N 2.68Å; Q199-C203 WeakPolarHBondContact O-CB 3.49Å; Q199-C203 PolarHBondContact O-N 3.32Å; Q199-C203 PolarHBondContact O-SG 2.99Å
200	H	72.7	Confident	75.5	Confident	111 Å²	111	63.8 Å²	63.8	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-43.6	176.2	-171.3	65.5	0	0	0	111.3	N197 R202 C203 L204	N197-H200 HydrophobicContact CB-CB 4.34Å; N197-H200 WeakPolarHBondContact O-CA 3.33Å; N197-H200 WeakPolarHBondContact O-CB 3.04Å; N197-H200 PolarHBondContact O-N 3.06Å; H200-R202 PolarHBondContact O-N 3.32Å; H200-C203 PolarHBondContact O-N 2.89Å; H200-L204 WeakPolarHBondContact O-CB 3.5Å; H200-L204 PolarHBondContact O-N 2.8Å
201	T	75.3	Confident	76	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-45	175.6	-49.5	0	0	0	0	111.4	F182 L189 L196 N197 E198 C203 L204 F205	F182-T201 HydrophobicContact CE2-CG2 3.72Å; F182-T201 HydrophobicContact CZ-CG2 3.97Å; L189-T201 HydrophobicContact CD1-CG2 3.46Å; L189-T201 VanDerWaalsContact CD1-CG2 3.46Å; L196-T201 WeakPolarHBondContact CB-OG1 3.43Å; L196-T201 PolarHBondContact O-OG1 3.41Å; N197-T201 PolarHBondContact O-N 2.86Å; N197-T201 PolarHBondContact O-OG1 3.4Å; E198-T201 PolarHBondContact O-N 3.11Å; T201-C203 PolarHBondContact O-N 2.86Å; T201-L204 PolarHBondContact O-N 3.29Å; T201-F205 WeakPolarHBondContact O-CB 3.33Å; T201-F205 PolarHBondContact O-N 2.69Å
202	R	80.4	Confident	76.8	Confident	127 Å²	127	72.6 Å²	72.6	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-40.7	175.8	-75.9	179.5	-179.3	-144.3	1.8	111.9	F182 E198 H200 K206	F182-R202 HydrophobicContact CD2-CG 4.31Å; F182-R202 HydrophobicContact CE1-CG 4.15Å; F182-R202 HydrophobicContact CE2-CB 4.19Å; F182-R202 HydrophobicContact CE2-CG 3.46Å; F182-R202 VanDerWaalsContact CE2-CG 3.46Å; F182-R202 HydrophobicContact CZ-CB 4.44Å; F182-R202 HydrophobicContact CZ-CG 3.37Å; E198-R202 HydrophobicContact CG-CG 4.33Å; E198-R202 VanDerWaalsContact O-CB 3.27Å; E198-R202 WeakPolarHBondContact O-CB 3.42Å; E198-R202 WeakPolarHBondContact O-CG 3.28Å; E198-R202 PolarHBondContact O-N 3.18Å; E198-R202 IonicContact OE1-CZ 3.79Å; E198-R202 IonicContact OE1-NE 3.94Å; E198-R202 PolarHBondContact OE1-NE 3.12Å; E198-R202 IonicContact OE1-NH2 2.8Å; E198-R202 PolarHBondContact OE1-NH2 3.2Å; H200-R202 PolarHBondContact O-N 3.32Å; R202-K206 VanDerWaalsContact O-CB 3.31Å; R202-K206 WeakPolarHBondContact O-CB 3.44Å; R202-K206 VanDerWaalsContact O-CG 3.25Å; R202-K206 WeakPolarHBondContact O-CG 3.36Å; R202-K206 PolarHBondContact O-N 3.46Å
203	C	80.8	Confident	77.7	Confident	78 Å²	78	75.6 Å²	75.6	53%	0.527	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-44.1	175.4	-75.9	0	0	0	0	111.9	Q199 H200 T201 R207	Q199-C203 WeakPolarHBondContact O-CB 3.49Å; Q199-C203 PolarHBondContact O-N 3.32Å; Q199-C203 PolarHBondContact O-SG 2.99Å; H200-C203 PolarHBondContact O-N 2.89Å; T201-C203 PolarHBondContact O-N 2.86Å; C203-R207 VanDerWaalsContact O-CB 3.31Å; C203-R207 WeakPolarHBondContact O-CB 3.36Å; C203-R207 PolarHBondContact O-N 2.79Å; C203-R207 VanDerWaalsContact O-N 3.07Å
204	L	79.6	Confident	78.3	Confident	10 Å²	10	77.3 Å²	77.3	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-46.7	178.3	-176.1	60.9	0	0	0	111.2	H200 T201 K206 R207 C208 F224 E227	H200-L204 WeakPolarHBondContact O-CB 3.5Å; H200-L204 PolarHBondContact O-N 2.8Å; T201-L204 PolarHBondContact O-N 3.29Å; L204-K206 PolarHBondContact O-N 3.38Å; L204-R207 WeakPolarHBondContact O-CB 3.46Å; L204-R207 PolarHBondContact O-N 2.86Å; L204-R207 VanDerWaalsContact O-N 3.16Å; L204-C208 PolarHBondContact O-N 2.76Å; L204-C208 PolarHBondContact O-SG 2.69Å; L204-C208 VanDerWaalsContact O-SG 3.37Å; L204-F224 HydrophobicContact CB-CE2 4.1Å; L204-F224 HydrophobicContact CD2-CD2 4Å; L204-F224 HydrophobicContact CD2-CE2 3.53Å; L204-F224 HydrophobicContact CD2-CZ 3.85Å; L204-F224 HydrophobicContact CG-CD2 3.74Å; L204-F224 HydrophobicContact CG-CE2 3.53Å; L204-F224 HydrophobicContact CG-CZ 4.35Å; L204-E227 HydrophobicContact CD1-CB 3.78Å; L204-E227 HydrophobicContact CD1-CG 4.3Å
205	F	83.3	Confident	78.8	Confident	12 Å²	12	81.8 Å²	81.8	5%	0.053	39%	0.388	C	S	.	.	H	α-helix	trans	-55.8	-52.6	175.8	-175.6	-83.3	0	0	0	111.3	F182 V185 T201 R207 C208 D209 G214 L216	F182-F205 HydrophobicContact CB-CD2 4.44Å; F182-F205 HydrophobicContact CB-CE2 4.15Å; F182-F205 HydrophobicContact CB-CZ 4.22Å; F182-F205 HydrophobicContact CD2-CB 4.01Å; F182-F205 HydrophobicContact CD2-CD1 4.27Å; F182-F205 AromaticContact CD2-CD2 3.88Å; F182-F205 HydrophobicContact CD2-CD2 3.88Å; F182-F205 HydrophobicContact CD2-CE2 4.43Å; F182-F205 AromaticContact CD2-CG 3.79Å; F182-F205 HydrophobicContact CD2-CG 3.79Å; F182-F205 HydrophobicContact CE2-CB 4.27Å; V185-F205 HydrophobicContact CB-CD2 4.19Å; V185-F205 HydrophobicContact CB-CE2 4.34Å; V185-F205 HydrophobicContact CG1-CD2 4.32Å; V185-F205 HydrophobicContact CG2-CD2 3.88Å; V185-F205 HydrophobicContact CG2-CE2 3.75Å; T201-F205 WeakPolarHBondContact O-CB 3.33Å; T201-F205 PolarHBondContact O-N 2.69Å; F205-R207 PolarHBondContact O-N 3.44Å; F205-C208 PolarHBondContact O-N 3.03Å; F205-C208 VanDerWaalsContact O-N 3.13Å; F205-D209 HydrophobicContact CE1-CB 4.45Å; F205-D209 WeakPolarHBondContact O-CB 3.22Å; F205-D209 PolarHBondContact O-N 3.11Å; F205-G214 WeakPolarHBondContact CZ-O 3.47Å; F205-L216 HydrophobicContact CD2-CD1 3.82Å; F205-L216 HydrophobicContact CD2-CD2 4.37Å; F205-L216 HydrophobicContact CD2-CG 3.95Å; F205-L216 HydrophobicContact CE2-CD1 3.9Å; F205-L216 HydrophobicContact CE2-CD2 4.24Å; F205-L216 HydrophobicContact CE2-CG 3.6Å; F205-L216 HydrophobicContact CZ-CD2 4.33Å; F205-L216 HydrophobicContact CZ-CG 4.01Å
206	K	84.1	Confident	79.4	Confident	156 Å²	156	78.4 Å²	78.4	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-62.4	-28	178.6	-76.2	-179.2	177.5	-172.3	0	113.8	R202 L204	R202-K206 VanDerWaalsContact O-CB 3.31Å; R202-K206 WeakPolarHBondContact O-CB 3.44Å; R202-K206 VanDerWaalsContact O-CG 3.25Å; R202-K206 WeakPolarHBondContact O-CG 3.36Å; R202-K206 PolarHBondContact O-N 3.46Å; L204-K206 PolarHBondContact O-N 3.38Å
207	R	83.4	Confident	79.9	Confident	148 Å²	148	79.2 Å²	79.2	56%	0.558	37%	0.374	S	S	*	.	H	α-helix	trans	-76.4	-32.3	178.2	-174.2	172.4	63.1	159.2	9.4	111.7	C203 L204 F205 E227	C203-R207 VanDerWaalsContact O-CB 3.31Å; C203-R207 WeakPolarHBondContact O-CB 3.36Å; C203-R207 PolarHBondContact O-N 2.79Å; C203-R207 VanDerWaalsContact O-N 3.07Å; L204-R207 WeakPolarHBondContact O-CB 3.46Å; L204-R207 PolarHBondContact O-N 2.86Å; L204-R207 VanDerWaalsContact O-N 3.16Å; F205-R207 PolarHBondContact O-N 3.44Å; R207-E227 IonicContact CZ-OE2 3.46Å; R207-E227 IonicContact NH1-OE2 2.8Å; R207-E227 IonicContact NH2-OE2 2.82Å; R207-E227 PolarHBondContact NH2-OE2 3.04Å
208	C	83.8	Confident	79.9	Confident	2 Å²	2	79.4 Å²	79.4	1%	0.014	37%	0.371	C	S	.	.	H	α-helix	trans	-85.7	-28.1	177.8	-63.3	0	0	0	0	112.6	L204 F205 K210 L216 E220 F224	L204-C208 PolarHBondContact O-N 2.76Å; L204-C208 PolarHBondContact O-SG 2.69Å; L204-C208 VanDerWaalsContact O-SG 3.37Å; F205-C208 PolarHBondContact O-N 3.03Å; F205-C208 VanDerWaalsContact O-N 3.13Å; C208-K210 VanDerWaalsContact C-N 3.29Å; C208-K210 PolarHBondContact O-N 3.35Å; C208-L216 HydrophobicContact CB-CD2 4.09Å; C208-E220 WeakPolarHBondContact O-CB 3.37Å; C208-E220 VanDerWaalsContact O-CG 3.31Å; C208-E220 WeakPolarHBondContact O-CG 3.46Å; C208-F224 HydrophobicContact CB-CB 4.11Å; C208-F224 HydrophobicContact CB-CD2 4.4Å; C208-F224 VanDerWaalsContact SG-CA 3.54Å
209	D	85.4	Confident	79.7	Confident	18 Å²	18	80.8 Å²	80.8	10%	0.096	38%	0.381	C	S	.	.			trans	-69.3	80.4	172.5	-178.2	9.9	0	0	0	110.7	F205 S211 R212 D213 G214 L216	F205-D209 HydrophobicContact CE1-CB 4.45Å; F205-D209 WeakPolarHBondContact O-CB 3.22Å; F205-D209 PolarHBondContact O-N 3.11Å; D209-S211 PolarHBondContact OD1-OG 3.41Å; D209-S211 VanDerWaalsContact OD1-OG 3.07Å; D209-R212 WeakPolarHBondContact OD1-CA 3.39Å; D209-R212 PolarHBondContact OD1-N 2.94Å; D209-D213 PolarHBondContact OD1-N 3.25Å; D209-G214 WeakPolarHBondContact OD2-CA 3.49Å; D209-G214 PolarHBondContact OD2-N 3.44Å; D209-G214 VanDerWaalsContact OD2-N 3.1Å; D209-L216 HydrophobicContact CB-CD2 3.78Å
210	K	83.8	Confident	80.2	Confident	130 Å²	130	74.4 Å²	74.4	57%	0.565	35%	0.351	S	S	*	.	S	Bend	trans	-76	-31.4	177.7	-73.5	177.9	174.7	162.8	0	111.3	C208 R212 E220 E223	C208-K210 VanDerWaalsContact C-N 3.29Å; C208-K210 PolarHBondContact O-N 3.35Å; K210-R212 PolarHBondContact O-N 3.23Å; K210-E220 WeakPolarHBondContact CA-OE1 3.27Å; K210-E220 WeakPolarHBondContact CB-OE1 3.35Å; K210-E220 PolarHBondContact N-OE1 2.68Å; K210-E223 WeakPolarHBondContact CE-OE1 3.27Å; K210-E223 WeakPolarHBondContact CE-OE2 3.45Å; K210-E223 IonicContact NZ-OE1 3.65Å; K210-E223 PolarHBondContact NZ-OE1 3.27Å; K210-E223 IonicContact NZ-OE2 2.77Å; K210-E223 PolarHBondContact NZ-OE2 2.93Å
211	S	82.6	Confident	80.1	Confident	58 Å²	58	69.8 Å²	69.8	41%	0.406	33%	0.33	S	S	.	.	S	Bend	trans	-69.1	-24.3	176.9	73.7	0	0	0	0	112.2	D209 D213 E220	D209-S211 PolarHBondContact OD1-OG 3.41Å; D209-S211 VanDerWaalsContact OD1-OG 3.07Å; S211-D213 PolarHBondContact O-N 3.03Å; S211-D213 VanDerWaalsContact OG-CG 3.27Å; S211-D213 PolarHBondContact OG-N 3.47Å; S211-D213 PolarHBondContact OG-OD1 3.31Å; S211-E220 WeakPolarHBondContact CB-OE1 3.39Å; S211-E220 PolarHBondContact N-OE1 2.85Å; S211-E220 PolarHBondContact OG-OE1 3.36Å
212	R	81.4	Confident	79.6	Confident	219 Å²	219	73.7 Å²	73.7	83%	0.826	35%	0.348	S	S	*	.			trans	58.4	27.1	-177	-55.3	-179.9	-180	-179.3	0.3	112.6	D209 K210 G214	D209-R212 WeakPolarHBondContact OD1-CA 3.39Å; D209-R212 PolarHBondContact OD1-N 2.94Å; K210-R212 PolarHBondContact O-N 3.23Å; R212-G214 VanDerWaalsContact C-N 3.3Å
213	D	84.3	Confident	79.2	Confident	74 Å²	74	70.6 Å²	70.6	40%	0.396	34%	0.339	S	S	.	.	S	Bend	trans	-89.9	1	179.7	78.3	7	0	0	0	112.6	K179 D209 S211 R215	K179-D213 IonicContact NZ-OD2 2.69Å; K179-D213 PolarHBondContact NZ-OD2 2.93Å; D209-D213 PolarHBondContact OD1-N 3.25Å; S211-D213 PolarHBondContact O-N 3.03Å; S211-D213 VanDerWaalsContact OG-CG 3.27Å; S211-D213 PolarHBondContact OG-N 3.47Å; S211-D213 PolarHBondContact OG-OD1 3.31Å; D213-R215 PolarHBondContact O-N 3.08Å; D213-R215 WeakPolarHBondContact OD1-CA 3.29Å; D213-R215 WeakPolarHBondContact OD1-CB 3.48Å; D213-R215 PolarHBondContact OD1-N 2.94Å
214	G	82	Confident	79.1	Confident	41 Å²	41	67 Å²	67	42%	0.423	31%	0.314	S	S	.	.	S	Bend	trans	77.2	9.9	-179.7	0	0	0	0	0	113.4	F205 D209 R212	F205-G214 WeakPolarHBondContact CZ-O 3.47Å; D209-G214 WeakPolarHBondContact OD2-CA 3.49Å; D209-G214 PolarHBondContact OD2-N 3.44Å; D209-G214 VanDerWaalsContact OD2-N 3.1Å; R212-G214 VanDerWaalsContact C-N 3.3Å
215	R	84.3	Confident	78.5	Confident	95 Å²	95	67 Å²	67	36%	0.358	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.4	173.6	-55.9	-176.7	174.7	-161.3	-6.3	108.8	D177 K179 M180 T181 D213	D177-R215 IonicContact OD2-CZ 3.12Å; D177-R215 IonicContact OD2-NH1 2.73Å; D177-R215 PolarHBondContact OD2-NH1 2.95Å; K179-R215 HydrophobicContact CB-CB 4.19Å; K179-R215 HydrophobicContact CD-CB 4.44Å; M180-R215 CarbonylContact O-C 3.58Å; M180-R215 VanDerWaalsContact O-CA 3.31Å; M180-R215 WeakPolarHBondContact O-CA 3.5Å; T181-R215 HydrophobicContact CG2-CG 4.21Å; D213-R215 PolarHBondContact O-N 3.08Å; D213-R215 WeakPolarHBondContact OD1-CA 3.29Å; D213-R215 WeakPolarHBondContact OD1-CB 3.48Å; D213-R215 PolarHBondContact OD1-N 2.94Å
216	L	81.2	Confident	77.9	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.6	171.3	-57.5	-179	0	0	0	108.6	K179 M180 V185 F205 C208 D209 E220 I221 F224	K179-L216 CarbonylContact C-O 3.55Å; K179-L216 VanDerWaalsContact CA-O 3.3Å; K179-L216 WeakPolarHBondContact CA-O 2.85Å; M180-L216 PolarHBondContact N-O 3.1Å; M180-L216 PolarHBondContact O-N 3.47Å; V185-L216 HydrophobicContact CG2-CD1 3.96Å; F205-L216 HydrophobicContact CD2-CD1 3.82Å; F205-L216 HydrophobicContact CD2-CD2 4.37Å; F205-L216 HydrophobicContact CD2-CG 3.95Å; F205-L216 HydrophobicContact CE2-CD1 3.9Å; F205-L216 HydrophobicContact CE2-CD2 4.24Å; F205-L216 HydrophobicContact CE2-CG 3.6Å; F205-L216 HydrophobicContact CZ-CD2 4.33Å; F205-L216 HydrophobicContact CZ-CG 4.01Å; C208-L216 HydrophobicContact CB-CD2 4.09Å; D209-L216 HydrophobicContact CB-CD2 3.78Å; L216-E220 WeakPolarHBondContact CA-OE2 3.44Å; L216-E220 HydrophobicContact CB-CB 4.06Å; L216-E220 HydrophobicContact CD2-CB 4.02Å; L216-I221 HydrophobicContact CB-CD1 4.45Å; L216-I221 HydrophobicContact CB-CG1 3.56Å; L216-I221 WeakPolarHBondContact O-CD1 3.32Å; L216-F224 HydrophobicContact CD1-CB 4.02Å; L216-F224 HydrophobicContact CD1-CD2 4.01Å; L216-F224 HydrophobicContact CD1-CG 4.07Å
217	D	79	Confident	77.6	Confident	45 Å²	45	67.8 Å²	67.8	24%	0.241	32%	0.32	C	S	.	.			trans	-74	174.1	167.5	77.8	28.8	0	0	0	111.9	K179 N219 E220 I221	K179-D217 HydrophobicContact CG-CB 4.43Å; D217-N219 VanDerWaalsContact C-N 3.27Å; D217-N219 PolarHBondContact O-N 3.15Å; D217-N219 VanDerWaalsContact O-N 3.16Å; D217-N219 WeakPolarHBondContact OD1-CA 3.34Å; D217-N219 WeakPolarHBondContact OD1-CB 3.11Å; D217-N219 PolarHBondContact OD1-N 2.76Å; D217-E220 PolarHBondContact N-OE2 2.87Å; D217-E220 PolarHBondContact O-N 2.96Å; D217-E220 VanDerWaalsContact O-N 3.12Å; D217-E220 WeakPolarHBondContact OD1-CG 3.44Å; D217-E220 PolarHBondContact OD1-N 3.39Å; D217-I221 WeakPolarHBondContact O-CB 3.45Å; D217-I221 WeakPolarHBondContact O-CG1 2.87Å; D217-I221 PolarHBondContact O-N 2.94Å
218	H	67.1	Low	77.2	Confident	113 Å²	113	61.4 Å²	61.4	52%	0.523	30%	0.297	S	S	.	.	H	α-helix	trans	-51.9	-40.9	-178.8	-173.7	-36.6	0	0	0	113.8	E222	H218-E222 PolarHBondContact O-N 3.02Å; H218-E222 VanDerWaalsContact O-N 3.07Å
219	N	68.8	Low	76.6	Confident	113 Å²	113	63.6 Å²	63.6	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-72.9	-38.3	-178	-63.4	-43.2	0	0	0	111	D217 E222 E223	D217-N219 VanDerWaalsContact C-N 3.27Å; D217-N219 PolarHBondContact O-N 3.15Å; D217-N219 VanDerWaalsContact O-N 3.16Å; D217-N219 WeakPolarHBondContact OD1-CA 3.34Å; D217-N219 WeakPolarHBondContact OD1-CB 3.11Å; D217-N219 PolarHBondContact OD1-N 2.76Å; N219-E222 WeakPolarHBondContact O-CB 3.39Å; N219-E222 PolarHBondContact O-N 3.36Å; N219-E223 PolarHBondContact O-N 2.89Å
220	E	80.3	Confident	76.3	Confident	9 Å²	9	67.4 Å²	67.4	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-70.2	-35	178	-63.2	174.6	143.9	0	0	111.8	C208 K210 S211 L216 D217 E223 F224	C208-E220 WeakPolarHBondContact O-CB 3.37Å; C208-E220 VanDerWaalsContact O-CG 3.31Å; C208-E220 WeakPolarHBondContact O-CG 3.46Å; K210-E220 WeakPolarHBondContact CA-OE1 3.27Å; K210-E220 WeakPolarHBondContact CB-OE1 3.35Å; K210-E220 PolarHBondContact N-OE1 2.68Å; S211-E220 WeakPolarHBondContact CB-OE1 3.39Å; S211-E220 PolarHBondContact N-OE1 2.85Å; S211-E220 PolarHBondContact OG-OE1 3.36Å; L216-E220 WeakPolarHBondContact CA-OE2 3.44Å; L216-E220 HydrophobicContact CB-CB 4.06Å; L216-E220 HydrophobicContact CD2-CB 4.02Å; D217-E220 PolarHBondContact N-OE2 2.87Å; D217-E220 PolarHBondContact O-N 2.96Å; D217-E220 VanDerWaalsContact O-N 3.12Å; D217-E220 WeakPolarHBondContact OD1-CG 3.44Å; D217-E220 PolarHBondContact OD1-N 3.39Å; E220-E223 PolarHBondContact O-N 3.23Å; E220-F224 WeakPolarHBondContact O-CB 3.46Å; E220-F224 PolarHBondContact O-N 3Å
221	I	71.6	Confident	76.3	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.072	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-44.4	170.3	-68.7	169.3	0	0	0	110.3	L169 M180 L216 D217 E223 F224 C225	L169-I221 HydrophobicContact CD1-CG2 3.71Å; L169-I221 HydrophobicContact CD2-CG2 3.38Å; L169-I221 HydrophobicContact CG-CG2 4.18Å; M180-I221 HydrophobicContact CB-CD1 4.11Å; M180-I221 HydrophobicContact CE-CB 4.34Å; M180-I221 HydrophobicContact CE-CD1 3.68Å; M180-I221 HydrophobicContact CE-CG1 3.58Å; M180-I221 HydrophobicContact CE-CG2 3.86Å; M180-I221 HydrophobicContact CG-CD1 3.74Å; M180-I221 HydrophobicContact SD-CD1 4.3Å; L216-I221 HydrophobicContact CB-CD1 4.45Å; L216-I221 HydrophobicContact CB-CG1 3.56Å; L216-I221 WeakPolarHBondContact O-CD1 3.32Å; D217-I221 WeakPolarHBondContact O-CB 3.45Å; D217-I221 WeakPolarHBondContact O-CG1 2.87Å; D217-I221 PolarHBondContact O-N 2.94Å; I221-E223 VanDerWaalsContact C-N 3.29Å; I221-E223 PolarHBondContact O-N 3.08Å; I221-F224 WeakPolarHBondContact O-CB 3.49Å; I221-F224 PolarHBondContact O-N 3.09Å; I221-C225 WeakPolarHBondContact O-CB 3.33Å; I221-C225 PolarHBondContact O-N 3.36Å; I221-C225 PolarHBondContact O-SG 3.15Å; I221-C225 VanDerWaalsContact O-SG 3.34Å
222	E	64.9	Low	76.7	Confident	85 Å²	85	60.7 Å²	60.7	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-40.4	177.3	-165.7	-170.5	149.7	0	0	111.2	H218 N219 C225 K226	H218-E222 PolarHBondContact O-N 3.02Å; H218-E222 VanDerWaalsContact O-N 3.07Å; N219-E222 WeakPolarHBondContact O-CB 3.39Å; N219-E222 PolarHBondContact O-N 3.36Å; E222-C225 PolarHBondContact O-N 3.37Å; E222-K226 WeakPolarHBondContact O-CB 3.34Å; E222-K226 VanDerWaalsContact O-CG 3.27Å; E222-K226 WeakPolarHBondContact O-CG 3.39Å; E222-K226 PolarHBondContact O-N 3.45Å; E222-K226 WeakPolarHBondContact OE1-CE 3.48Å; E222-K226 IonicContact OE1-NZ 2.71Å; E222-K226 PolarHBondContact OE1-NZ 3.41Å
223	E	71.8	Confident	77.2	Confident	63 Å²	63	50.9 Å²	50.9	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-66.9	-41.1	174.7	-170.4	166.8	-167.3	0	0	112.5	K210 N219 E220 I221 K226 E227	K210-E223 WeakPolarHBondContact CE-OE1 3.27Å; K210-E223 WeakPolarHBondContact CE-OE2 3.45Å; K210-E223 IonicContact NZ-OE1 3.65Å; K210-E223 PolarHBondContact NZ-OE1 3.27Å; K210-E223 IonicContact NZ-OE2 2.77Å; K210-E223 PolarHBondContact NZ-OE2 2.93Å; N219-E223 PolarHBondContact O-N 2.89Å; E220-E223 PolarHBondContact O-N 3.23Å; I221-E223 VanDerWaalsContact C-N 3.29Å; I221-E223 PolarHBondContact O-N 3.08Å; E223-K226 PolarHBondContact O-N 2.9Å; E223-E227 PolarHBondContact O-N 3Å
224	F	77.4	Confident	77.5	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-46.9	173.1	-178.1	-87.1	0	0	0	111.5	V185 L189 L204 C208 L216 E220 I221 E227 L228	V185-F224 HydrophobicContact CG1-CE1 3.86Å; V185-F224 HydrophobicContact CG1-CE2 3.98Å; V185-F224 HydrophobicContact CG1-CZ 3.46Å; V185-F224 VanDerWaalsContact CG1-CZ 3.46Å; L189-F224 HydrophobicContact CD1-CZ 4.37Å; L189-F224 HydrophobicContact CD2-CE1 4.09Å; L189-F224 HydrophobicContact CD2-CZ 4.22Å; L204-F224 HydrophobicContact CB-CE2 4.1Å; L204-F224 HydrophobicContact CD2-CD2 4Å; L204-F224 HydrophobicContact CD2-CE2 3.53Å; L204-F224 HydrophobicContact CD2-CZ 3.85Å; L204-F224 HydrophobicContact CG-CD2 3.74Å; L204-F224 HydrophobicContact CG-CE2 3.53Å; L204-F224 HydrophobicContact CG-CZ 4.35Å; C208-F224 HydrophobicContact CB-CB 4.11Å; C208-F224 HydrophobicContact CB-CD2 4.4Å; C208-F224 VanDerWaalsContact SG-CA 3.54Å; L216-F224 HydrophobicContact CD1-CB 4.02Å; L216-F224 HydrophobicContact CD1-CD2 4.01Å; L216-F224 HydrophobicContact CD1-CG 4.07Å; E220-F224 WeakPolarHBondContact O-CB 3.46Å; E220-F224 PolarHBondContact O-N 3Å; I221-F224 WeakPolarHBondContact O-CB 3.49Å; I221-F224 PolarHBondContact O-N 3.09Å; F224-E227 PolarHBondContact O-N 3.19Å; F224-L228 WeakPolarHBondContact O-CB 3.28Å; F224-L228 PolarHBondContact O-N 3.24Å
225	C	68.9	Low	78	Confident	11 Å²	11	45.9 Å²	45.9	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-41.6	176.3	-71	0	0	0	0	111.9	I165 I221 E222 E227 L228 M229	I165-C225 HydrophobicContact CG2-CB 4.39Å; I221-C225 WeakPolarHBondContact O-CB 3.33Å; I221-C225 PolarHBondContact O-N 3.36Å; I221-C225 PolarHBondContact O-SG 3.15Å; I221-C225 VanDerWaalsContact O-SG 3.34Å; E222-C225 PolarHBondContact O-N 3.37Å; C225-E227 VanDerWaalsContact C-N 3.34Å; C225-E227 PolarHBondContact O-N 2.91Å; C225-L228 PolarHBondContact O-N 3.27Å; C225-M229 HydrophobicContact CB-CE 4.19Å; C225-M229 WeakPolarHBondContact O-CB 3.28Å; C225-M229 WeakPolarHBondContact O-CE 3.17Å; C225-M229 VanDerWaalsContact O-CG 3.26Å; C225-M229 WeakPolarHBondContact O-CG 3.4Å; C225-M229 PolarHBondContact O-N 3.21Å
226	K	70.6	Confident	78.4	Confident	115 Å²	115	48.3 Å²	48.3	50%	0.5	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-44.2	175.3	-77.8	168.3	-175.7	162.4	0	112.1	E222 E223 M229 R230	E222-K226 WeakPolarHBondContact O-CB 3.34Å; E222-K226 VanDerWaalsContact O-CG 3.27Å; E222-K226 WeakPolarHBondContact O-CG 3.39Å; E222-K226 PolarHBondContact O-N 3.45Å; E222-K226 WeakPolarHBondContact OE1-CE 3.48Å; E222-K226 IonicContact OE1-NZ 2.71Å; E222-K226 PolarHBondContact OE1-NZ 3.41Å; E223-K226 PolarHBondContact O-N 2.9Å; K226-M229 PolarHBondContact O-N 2.98Å; K226-R230 PolarHBondContact O-N 3.01Å
227	E	76.5	Confident	79.1	Confident	69 Å²	69	48.7 Å²	48.7	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-37.7	176.7	-76.2	-64.6	126.6	0	0	112.3	L204 R207 E223 F224 C225 M229 R230	L204-E227 HydrophobicContact CD1-CB 3.78Å; L204-E227 HydrophobicContact CD1-CG 4.3Å; R207-E227 IonicContact CZ-OE2 3.46Å; R207-E227 IonicContact NH1-OE2 2.8Å; R207-E227 IonicContact NH2-OE2 2.82Å; R207-E227 PolarHBondContact NH2-OE2 3.04Å; E223-E227 PolarHBondContact O-N 3Å; F224-E227 PolarHBondContact O-N 3.19Å; C225-E227 VanDerWaalsContact C-N 3.34Å; C225-E227 PolarHBondContact O-N 2.91Å; E227-M229 VanDerWaalsContact C-N 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.11Å; E227-R230 PolarHBondContact O-N 3.08Å
228	L	75.1	Confident	79.8	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-37.4	176.6	-172.8	69.1	0	0	0	112.4	L189 I192 I194 L196 F224 C225 R230 F699 N700	L189-L228 HydrophobicContact CD2-CD1 4.2Å; L189-L228 HydrophobicContact CD2-CD2 3.88Å; I192-L228 HydrophobicContact CD1-CD2 3.4Å; I192-L228 VanDerWaalsContact CD1-CD2 3.4Å; I194-L228 HydrophobicContact CD1-CD1 3.9Å; I194-L228 HydrophobicContact CD1-CD2 4.02Å; I194-L228 HydrophobicContact CD1-CG 4.29Å; L196-L228 HydrophobicContact CD1-CD1 3.99Å; F224-L228 WeakPolarHBondContact O-CB 3.28Å; F224-L228 PolarHBondContact O-N 3.24Å; C225-L228 PolarHBondContact O-N 3.27Å; L228-R230 PolarHBondContact O-N 2.7Å; L228-F699 HydrophobicContact CD2-CD1 4.48Å; L228-F699 HydrophobicContact CD2-CE1 4Å; L228-F699 HydrophobicContact CD2-CZ 4.39Å; L228-F699 HydrophobicContact CG-CD1 4.32Å; L228-F699 HydrophobicContact CG-CE1 3.85Å; L228-N700 PolarHBondContact O-ND2 3.3Å
229	M	72.2	Confident	81.1	Confident	49 Å²	49	47.4 Å²	47.4	24%	0.241	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1	178.4	-70	-173.3	-73.7	0	0	113.7	L161 I165 C225 K226 E227 R231 F699	L161-M229 HydrophobicContact CD1-SD 4.39Å; L161-M229 HydrophobicContact CD2-CG 4.22Å; L161-M229 HydrophobicContact CD2-SD 3.35Å; L161-M229 WeakPolarHBondContact CD2-SD 3.37Å; L161-M229 HydrophobicContact CG-SD 3.72Å; I165-M229 HydrophobicContact CD1-CE 3.63Å; I165-M229 HydrophobicContact CD1-CG 4.27Å; I165-M229 HydrophobicContact CD1-SD 3.3Å; I165-M229 WeakPolarHBondContact CD1-SD 3.21Å; C225-M229 HydrophobicContact CB-CE 4.19Å; C225-M229 WeakPolarHBondContact O-CB 3.28Å; C225-M229 WeakPolarHBondContact O-CE 3.17Å; C225-M229 VanDerWaalsContact O-CG 3.26Å; C225-M229 WeakPolarHBondContact O-CG 3.4Å; C225-M229 PolarHBondContact O-N 3.21Å; K226-M229 PolarHBondContact O-N 2.98Å; E227-M229 VanDerWaalsContact C-N 3.34Å; M229-R231 PolarHBondContact O-N 3.41Å; M229-F699 HydrophobicContact CG-CZ 4.38Å
230	R	78.4	Confident	82.3	Confident	97 Å²	97	48.9 Å²	48.9	37%	0.366	22%	0.218	S	C	.	.			trans	-62.8	134.7	-176.8	-156.6	-178.1	92.8	95.5	-0.1	111.2	K226 E227 L228 P232 E235 R702	K226-R230 PolarHBondContact O-N 3.01Å; E227-R230 WeakPolarHBondContact O-CB 3.11Å; E227-R230 PolarHBondContact O-N 3.08Å; L228-R230 PolarHBondContact O-N 2.7Å; R230-P232 WeakPolarHBondContact O-CD 3.41Å; R230-E235 VanDerWaalsContact CG-OE1 3.28Å; R230-E235 WeakPolarHBondContact CG-OE1 3.31Å; R230-E235 IonicContact CZ-OE1 3.54Å; R230-E235 IonicContact CZ-OE2 2.79Å; R230-E235 IonicContact NE-OE1 3.78Å; R230-E235 IonicContact NH1-OE1 2.59Å; R230-E235 PolarHBondContact NH1-OE1 3.25Å; R230-E235 IonicContact NH1-OE2 2.75Å; R230-E235 PolarHBondContact NH1-OE2 2.89Å; R230-E235 IonicContact NH2-OE2 2.74Å; R230-R702 PolarHBondContact O-NH2 2.95Å
231	R	84.9	Confident	83	Confident	29 Å²	29	50 Å²	50	11%	0.109	22%	0.222	C	C	.	.			trans	-110.1	67.7	-177.8	-63.2	-91	-48.2	-105.1	7.3	111.2	M229 E233 L234 E235 H751	M229-R231 PolarHBondContact O-N 3.41Å; R231-E233 VanDerWaalsContact CD-OE1 3.31Å; R231-E233 WeakPolarHBondContact CD-OE1 3.04Å; R231-E233 IonicContact CZ-OE1 3.26Å; R231-E233 IonicContact NE-OE1 3.04Å; R231-E233 PolarHBondContact NE-OE1 3.17Å; R231-E233 IonicContact NH2-OE1 2.75Å; R231-E233 PolarHBondContact O-N 3.48Å; R231-E233 VanDerWaalsContact O-N 3.14Å; R231-L234 HydrophobicContact CB-CB 4Å; R231-L234 HydrophobicContact CB-CD1 4.13Å; R231-L234 HydrophobicContact CB-CG 4.25Å; R231-L234 HydrophobicContact CG-CD1 4.29Å; R231-L234 PolarHBondContact O-N 2.94Å; R231-E235 WeakPolarHBondContact O-CG 3.35Å; R231-E235 PolarHBondContact O-N 3.27Å; R231-H751 PolarHBondContact NH1-CE1 3.33Å; R231-H751 PolarHBondContact NH1-NE2 2.84Å; R231-H751 PolarHBondContact NH2-CE1 3.4Å; R231-H751 VanDerWaalsContact NH2-CE1 3.26Å; R231-H751 PolarHBondContact NH2-NE2 3.41Å
232	P	89.8	Confident	84.1	Confident	19 Å²	19	49.8 Å²	49.8	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-54.6	-29.8	179.3	22.5	-35.8	0	0	0	114.2	R230 E235 K236	R230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-E235 PolarHBondContact O-N 2.78Å; P232-K236 VanDerWaalsContact O-CG 3.25Å; P232-K236 WeakPolarHBondContact O-CG 3.26Å; P232-K236 PolarHBondContact O-N 3.38Å
233	E	92.6	Very high	85.2	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-39.2	174.6	70.8	-66.3	156	0	0	112.3	R231 V237 I654 R702 F768	R231-E233 VanDerWaalsContact CD-OE1 3.31Å; R231-E233 WeakPolarHBondContact CD-OE1 3.04Å; R231-E233 IonicContact CZ-OE1 3.26Å; R231-E233 IonicContact NE-OE1 3.04Å; R231-E233 PolarHBondContact NE-OE1 3.17Å; R231-E233 IonicContact NH2-OE1 2.75Å; R231-E233 PolarHBondContact O-N 3.48Å; R231-E233 VanDerWaalsContact O-N 3.14Å; E233-V237 WeakPolarHBondContact O-CG2 3.49Å; E233-V237 PolarHBondContact O-N 2.86Å; E233-I654 HydrophobicContact CB-CG2 3.76Å; E233-I654 HydrophobicContact CG-CG2 3.84Å; E233-R702 IonicContact OE2-CZ 3.93Å; E233-R702 VanDerWaalsContact OE2-CZ 3.29Å; E233-R702 IonicContact OE2-NE 3.59Å; E233-R702 PolarHBondContact OE2-NE 2.71Å; E233-R702 IonicContact OE2-NH2 3.55Å; E233-R702 PolarHBondContact OE2-NH2 2.84Å; E233-F768 HydrophobicContact CG-CD1 3.72Å; E233-F768 HydrophobicContact CG-CE1 3.98Å
234	L	91.1	Very high	86	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-70.7	-38.2	170.6	-76.7	-176.2	0	0	0	112.1	R231 K236 V237 F238 T294 M297 F768	R231-L234 HydrophobicContact CB-CB 4Å; R231-L234 HydrophobicContact CB-CD1 4.13Å; R231-L234 HydrophobicContact CB-CG 4.25Å; R231-L234 HydrophobicContact CG-CD1 4.29Å; R231-L234 PolarHBondContact O-N 2.94Å; L234-K236 VanDerWaalsContact C-N 3.25Å; L234-K236 PolarHBondContact O-N 3.29Å; L234-V237 PolarHBondContact O-N 3.18Å; L234-V237 VanDerWaalsContact O-N 3.12Å; L234-F238 WeakPolarHBondContact O-CB 3.27Å; L234-F238 PolarHBondContact O-N 2.92Å; L234-T294 HydrophobicContact CD1-CG2 3.78Å; L234-M297 HydrophobicContact CD2-CB 4.24Å; L234-M297 HydrophobicContact CD2-CE 4.42Å; L234-M297 HydrophobicContact CD2-CG 4.13Å; L234-F768 HydrophobicContact CD2-CD1 4.46Å; L234-F768 HydrophobicContact CD2-CD2 4.46Å; L234-F768 HydrophobicContact CD2-CE1 3.77Å; L234-F768 HydrophobicContact CD2-CE2 3.78Å; L234-F768 HydrophobicContact CD2-CZ 3.39Å; L234-F768 HydrophobicContact CG-CE1 4.43Å; L234-F768 HydrophobicContact CG-CZ 4.47Å
235	E	91.8	Very high	86.4	Confident	9 Å²	9	53.6 Å²	53.6	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-39.6	176.2	-72.7	-177	-160.9	0	0	112.3	R230 R231 P232 V237 F238 R239 Q290	R230-E235 VanDerWaalsContact CG-OE1 3.28Å; R230-E235 WeakPolarHBondContact CG-OE1 3.31Å; R230-E235 IonicContact CZ-OE1 3.54Å; R230-E235 IonicContact CZ-OE2 2.79Å; R230-E235 IonicContact NE-OE1 3.78Å; R230-E235 IonicContact NH1-OE1 2.59Å; R230-E235 PolarHBondContact NH1-OE1 3.25Å; R230-E235 IonicContact NH1-OE2 2.75Å; R230-E235 PolarHBondContact NH1-OE2 2.89Å; R230-E235 IonicContact NH2-OE2 2.74Å; R231-E235 WeakPolarHBondContact O-CG 3.35Å; R231-E235 PolarHBondContact O-N 3.27Å; P232-E235 PolarHBondContact O-N 2.78Å; E235-V237 VanDerWaalsContact C-N 3.33Å; E235-F238 PolarHBondContact O-N 2.73Å; E235-R239 WeakPolarHBondContact O-CB 3.39Å; E235-R239 VanDerWaalsContact O-CG 3.3Å; E235-R239 WeakPolarHBondContact O-CG 3.48Å; E235-R239 PolarHBondContact O-N 3.08Å; E235-R239 IonicContact OE2-CZ 3.58Å; E235-R239 IonicContact OE2-NH1 3.6Å; E235-R239 IonicContact OE2-NH2 3.86Å; E235-R239 PolarHBondContact OE2-NH2 3.2Å; E235-Q290 PolarHBondContact OE1-NE2 2.84Å
236	K	93.3	Very high	87.3	Confident	146 Å²	146	56.4 Å²	56.4	64%	0.635	28%	0.282	S	S	*	.	H	α-helix	trans	-61.4	-43.6	175.1	-76.2	171.5	-175.7	-178.4	0	111	P232 L234 H240	P232-K236 VanDerWaalsContact O-CG 3.25Å; P232-K236 WeakPolarHBondContact O-CG 3.26Å; P232-K236 PolarHBondContact O-N 3.38Å; L234-K236 VanDerWaalsContact C-N 3.25Å; L234-K236 PolarHBondContact O-N 3.29Å; K236-H240 WeakPolarHBondContact O-CB 3.3Å; K236-H240 PolarHBondContact O-N 3.26Å
237	V	94.9	Very high	88.4	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-49.2	175.5	178.8	0	0	0	0	110.3	E233 L234 E235 R239 H240 Y241 F256 F293 Y749	E233-V237 WeakPolarHBondContact O-CG2 3.49Å; E233-V237 PolarHBondContact O-N 2.86Å; L234-V237 PolarHBondContact O-N 3.18Å; L234-V237 VanDerWaalsContact O-N 3.12Å; E235-V237 VanDerWaalsContact C-N 3.33Å; V237-R239 PolarHBondContact O-N 3.15Å; V237-H240 WeakPolarHBondContact O-CB 3.28Å; V237-H240 PolarHBondContact O-N 3.39Å; V237-H240 VanDerWaalsContact O-N 3.15Å; V237-Y241 HydrophobicContact CG1-CE2 4.4Å; V237-Y241 WeakPolarHBondContact O-CD2 3.48Å; V237-F256 HydrophobicContact CG1-CD2 4.32Å; V237-F256 HydrophobicContact CG1-CE2 3.87Å; V237-F293 HydrophobicContact CG1-CE1 4.23Å; V237-F293 HydrophobicContact CG1-CZ 4.01Å; V237-Y749 HydrophobicContact CG1-CD2 3.99Å; V237-Y749 HydrophobicContact CG1-CE2 3.95Å; V237-Y749 HydrophobicContact CG2-CD1 4.13Å; V237-Y749 HydrophobicContact CG2-CD2 4.32Å; V237-Y749 HydrophobicContact CG2-CE1 3.71Å; V237-Y749 HydrophobicContact CG2-CE2 3.95Å; V237-Y749 HydrophobicContact CG2-CG 4.42Å
238	F	94.4	Very high	89.3	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-49	178.5	177.5	-92.7	0	0	0	112.5	L234 E235 H240 Y241 S242 S246 L248 Q290 F293	L234-F238 WeakPolarHBondContact O-CB 3.27Å; L234-F238 PolarHBondContact O-N 2.92Å; E235-F238 PolarHBondContact O-N 2.73Å; F238-H240 PolarHBondContact O-N 2.87Å; F238-Y241 PolarHBondContact O-N 2.93Å; F238-S242 WeakPolarHBondContact O-CB 3.43Å; F238-S242 PolarHBondContact O-N 2.96Å; F238-S246 WeakPolarHBondContact CZ-O 3.42Å; F238-L248 HydrophobicContact CD2-CD1 3.67Å; F238-L248 HydrophobicContact CD2-CG 3.92Å; F238-L248 HydrophobicContact CE2-CD1 3.69Å; F238-L248 HydrophobicContact CE2-CG 3.57Å; F238-L248 HydrophobicContact CZ-CG 4.2Å; F238-Q290 HydrophobicContact CD1-CB 4.3Å; F238-Q290 HydrophobicContact CD1-CG 4.4Å; F238-Q290 HydrophobicContact CD2-CB 4.43Å; F238-Q290 HydrophobicContact CE1-CB 4.15Å; F238-Q290 HydrophobicContact CE2-CB 4.26Å; F238-Q290 HydrophobicContact CG-CB 4.43Å; F238-Q290 HydrophobicContact CG-CG 4.35Å; F238-Q290 HydrophobicContact CZ-CB 4.11Å; F238-F293 HydrophobicContact CB-CD1 4.02Å; F238-F293 HydrophobicContact CB-CE1 4.23Å; F238-F293 HydrophobicContact CD2-CB 3.74Å; F238-F293 AromaticContact CD2-CD1 3.92Å; F238-F293 HydrophobicContact CD2-CD1 3.92Å; F238-F293 AromaticContact CD2-CG 3.82Å; F238-F293 HydrophobicContact CD2-CG 3.82Å; F238-F293 HydrophobicContact CE2-CB 4.1Å; F238-F293 HydrophobicContact CG-CD1 4.47Å
239	R	94.2	Very high	90.3	Very high	130 Å²	130	50.5 Å²	50.5	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-67.5	-23.2	179.2	-71.9	-177.3	-168.2	140.4	16.4	113.3	E235 V237 Y241	E235-R239 WeakPolarHBondContact O-CB 3.39Å; E235-R239 VanDerWaalsContact O-CG 3.3Å; E235-R239 WeakPolarHBondContact O-CG 3.48Å; E235-R239 PolarHBondContact O-N 3.08Å; E235-R239 IonicContact OE2-CZ 3.58Å; E235-R239 IonicContact OE2-NH1 3.6Å; E235-R239 IonicContact OE2-NH2 3.86Å; E235-R239 PolarHBondContact OE2-NH2 3.2Å; V237-R239 PolarHBondContact O-N 3.15Å; R239-Y241 VanDerWaalsContact C-N 3.28Å; R239-Y241 PolarHBondContact O-N 3.27Å
240	H	94.4	Very high	91.4	Very high	143 Å²	143	49.7 Å²	49.7	66%	0.662	26%	0.259	S	S	*	.	H	α-helix	trans	-64.4	-36.4	175.5	-176.5	62.9	0	0	0	111.8	K236 V237 F238	K236-H240 WeakPolarHBondContact O-CB 3.3Å; K236-H240 PolarHBondContact O-N 3.26Å; V237-H240 WeakPolarHBondContact O-CB 3.28Å; V237-H240 PolarHBondContact O-N 3.39Å; V237-H240 VanDerWaalsContact O-N 3.15Å; F238-H240 PolarHBondContact O-N 2.87Å
241	Y	93.6	Very high	92.2	Very high	34 Å²	34	47 Å²	47	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-97.1	-20.5	-179.3	-66.2	-83.2	0	0	0	113.5	V237 F238 R239 S243 E252 F256 D259	V237-Y241 HydrophobicContact CG1-CE2 4.4Å; V237-Y241 WeakPolarHBondContact O-CD2 3.48Å; F238-Y241 PolarHBondContact O-N 2.93Å; R239-Y241 VanDerWaalsContact C-N 3.28Å; R239-Y241 PolarHBondContact O-N 3.27Å; Y241-S243 PolarHBondContact O-N 3.16Å; Y241-E252 WeakPolarHBondContact O-CB 3.32Å; Y241-E252 WeakPolarHBondContact O-CG 3.21Å; Y241-F256 HydrophobicContact CD1-CB 3.91Å; Y241-F256 HydrophobicContact CD2-CB 4.07Å; Y241-F256 AromaticContact CD2-CD2 3.78Å; Y241-F256 HydrophobicContact CD2-CD2 3.78Å; Y241-F256 HydrophobicContact CD2-CG 4.39Å; Y241-F256 HydrophobicContact CE1-CB 4.07Å; Y241-F256 HydrophobicContact CE2-CB 4.24Å; Y241-F256 AromaticContact CE2-CD2 3.52Å; Y241-F256 HydrophobicContact CE2-CD2 3.52Å; Y241-F256 HydrophobicContact CE2-CE2 4.4Å; Y241-F256 HydrophobicContact CE2-CG 4.37Å; Y241-F256 HydrophobicContact CG-CB 3.92Å; Y241-F256 HydrophobicContact CG-CD2 4.48Å; Y241-D259 VanDerWaalsContact CE1-OD2 3.29Å; Y241-D259 WeakPolarHBondContact CE1-OD2 3.36Å; Y241-D259 WeakPolarHBondContact OH-CB 3.09Å; Y241-D259 PolarHBondContact OH-OD2 2.82Å
242	S	94.4	Very high	92.7	Very high	8 Å²	8	46.9 Å²	46.9	6%	0.056	26%	0.258	C	S	.	.			trans	-84.6	111.7	179.2	-179.7	0	0	0	0	111.7	F238 N244 G245 S246 V247	F238-S242 WeakPolarHBondContact O-CB 3.43Å; F238-S242 PolarHBondContact O-N 2.96Å; S242-N244 VanDerWaalsContact C-N 3.27Å; S242-N244 PolarHBondContact O-N 3.26Å; S242-N244 PolarHBondContact OG-OD1 3.21Å; S242-G245 PolarHBondContact O-N 3.47Å; S242-G245 WeakPolarHBondContact OG-CA 3.49Å; S242-G245 PolarHBondContact OG-N 3.35Å; S242-S246 PolarHBondContact OG-N 2.77Å; S242-V247 WeakPolarHBondContact CB-O 3.47Å; S242-V247 PolarHBondContact OG-N 3.21Å; S242-V247 PolarHBondContact OG-O 2.92Å
243	S	88.9	Confident	93	Very high	104 Å²	104	46 Å²	46	73%	0.727	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.8	177	54.9	0	0	0	0	113.9	Y241 E252	Y241-S243 PolarHBondContact O-N 3.16Å; S243-E252 WeakPolarHBondContact CB-OE1 3.42Å; S243-E252 PolarHBondContact N-OE1 2.99Å; S243-E252 PolarHBondContact OG-OE1 2.8Å
244	N	88.2	Confident	93.1	Very high	93 Å²	93	49.3 Å²	49.3	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-1.1	178.4	66.8	32.8	0	0	0	113.7	S242 S246 V247	S242-N244 VanDerWaalsContact C-N 3.27Å; S242-N244 PolarHBondContact O-N 3.26Å; S242-N244 PolarHBondContact OG-OD1 3.21Å; N244-S246 VanDerWaalsContact CG-OG 3.32Å; N244-S246 PolarHBondContact O-N 2.76Å; N244-S246 WeakPolarHBondContact OD1-CA 3.29Å; N244-S246 PolarHBondContact OD1-N 3.21Å; N244-S246 PolarHBondContact OD1-OG 3.37Å; N244-V247 VanDerWaalsContact ND2-CG2 3.35Å; N244-V247 WeakPolarHBondContact ND2-CG2 3.41Å; N244-V247 PolarHBondContact OD1-N 3.3Å; N244-V247 PolarHBondContact OD1-O 2.95Å
245	G	86.2	Confident	93.3	Very high	32 Å²	32	52.7 Å²	52.7	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	69	5.4	-179.5	0	0	0	0	0	116.2	S242	S242-G245 PolarHBondContact O-N 3.47Å; S242-G245 WeakPolarHBondContact OG-CA 3.49Å; S242-G245 PolarHBondContact OG-N 3.35Å
246	S	87.6	Confident	93.5	Very high	71 Å²	71	52.3 Å²	52.3	50%	0.497	28%	0.28	S	S	.	.	S	Bend	trans	-123	-34.3	-171.8	69.8	0	0	0	0	114.4	F238 S242 N244	F238-S246 WeakPolarHBondContact CZ-O 3.42Å; S242-S246 PolarHBondContact OG-N 2.77Å; N244-S246 VanDerWaalsContact CG-OG 3.32Å; N244-S246 PolarHBondContact O-N 2.76Å; N244-S246 WeakPolarHBondContact OD1-CA 3.29Å; N244-S246 PolarHBondContact OD1-N 3.21Å; N244-S246 PolarHBondContact OD1-OG 3.37Å
247	V	94.1	Very high	93.6	Very high	32 Å²	32	45.3 Å²	45.3	19%	0.194	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.9	179.2	-64.1	0	0	0	0	111	S242 N244 V287 M288	S242-V247 WeakPolarHBondContact CB-O 3.47Å; S242-V247 PolarHBondContact OG-N 3.21Å; S242-V247 PolarHBondContact OG-O 2.92Å; N244-V247 VanDerWaalsContact ND2-CG2 3.35Å; N244-V247 WeakPolarHBondContact ND2-CG2 3.41Å; N244-V247 PolarHBondContact OD1-N 3.3Å; N244-V247 PolarHBondContact OD1-O 2.95Å; V247-V287 HydrophobicContact CB-CB 4.15Å; V247-V287 HydrophobicContact CB-CG2 4.29Å; V247-V287 HydrophobicContact CG1-CG2 4.2Å; V247-V287 HydrophobicContact CG2-CB 4.38Å; V247-M288 CarbonylContact C-O 3.56Å; V247-M288 VanDerWaalsContact CA-O 3.31Å; V247-M288 WeakPolarHBondContact CA-O 3.46Å
248	L	94.6	Very high	93.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.5	167.1	-62.6	167.6	0	0	0	109.1	F238 E252 L253 V287 M288 F293	F238-L248 HydrophobicContact CD2-CD1 3.67Å; F238-L248 HydrophobicContact CD2-CG 3.92Å; F238-L248 HydrophobicContact CE2-CD1 3.69Å; F238-L248 HydrophobicContact CE2-CG 3.57Å; F238-L248 HydrophobicContact CZ-CG 4.2Å; L248-E252 HydrophobicContact CB-CB 4.46Å; L248-E252 HydrophobicContact CD2-CB 3.98Å; L248-L253 HydrophobicContact CD1-CD1 4.49Å; L248-V287 CarbonylContact O-C 3.59Å; L248-V287 WeakPolarHBondContact O-CA 3.42Å; L248-M288 HydrophobicContact CB-CB 4.24Å; L248-M288 PolarHBondContact N-O 3.29Å; L248-M288 PolarHBondContact O-N 3.21Å; L248-F293 HydrophobicContact CD1-CD2 3.76Å; L248-F293 HydrophobicContact CD1-CE2 4.23Å; L248-F293 HydrophobicContact CD1-CG 4.26Å
249	S	95.8	Very high	93.5	Very high	40 Å²	40	51.5 Å²	51.5	28%	0.28	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	166.3	164.2	65.2	0	0	0	0	111.1	A251 E252 L253	S249-A251 PolarHBondContact O-N 3.38Å; S249-E252 VanDerWaalsContact CB-OE2 3.31Å; S249-E252 WeakPolarHBondContact CB-OE2 3.39Å; S249-E252 PolarHBondContact N-OE2 2.93Å; S249-E252 PolarHBondContact O-N 3.36Å; S249-E252 WeakPolarHBondContact OG-CG 3.43Å; S249-E252 PolarHBondContact OG-N 3.34Å; S249-E252 PolarHBondContact OG-OE2 3.42Å; S249-L253 PolarHBondContact O-N 2.84Å
250	I	95.8	Very high	93.4	Very high	32 Å²	32	45.5 Å²	45.5	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-54.5	-41.2	174.8	-59.5	159.1	0	0	0	111.1	R254 L266 A269 Q270 I273 M286	I250-R254 VanDerWaalsContact O-CB 3.29Å; I250-R254 WeakPolarHBondContact O-CB 3.26Å; I250-R254 PolarHBondContact O-N 3.04Å; I250-L266 HydrophobicContact CG2-CB 4.26Å; I250-L266 HydrophobicContact CG2-CD2 3.76Å; I250-A269 HydrophobicContact CG2-CB 3.92Å; I250-Q270 HydrophobicContact CD1-CG 3.6Å; I250-Q270 HydrophobicContact CG1-CG 3.88Å; I250-Q270 HydrophobicContact CG2-CG 3.84Å; I250-I273 HydrophobicContact CG1-CD1 3.83Å; I250-M286 HydrophobicContact CD1-CB 3.89Å; I250-M286 HydrophobicContact CG1-CB 4.32Å
251	A	95.6	Very high	93.2	Very high	41 Å²	41	46.9 Å²	46.9	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-42.6	-179.1	0	0	0	0	0	112	S249 R254 D255	S249-A251 PolarHBondContact O-N 3.38Å; A251-R254 WeakPolarHBondContact O-CB 3.37Å; A251-R254 PolarHBondContact O-N 2.96Å; A251-D255 PolarHBondContact O-N 2.86Å
252	E	96.1	Very high	93	Very high	27 Å²	27	47.7 Å²	47.7	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-38.9	177.4	-69.6	161.9	139.1	0	0	111.7	Y241 S243 L248 S249 D255 F256	Y241-E252 WeakPolarHBondContact O-CB 3.32Å; Y241-E252 WeakPolarHBondContact O-CG 3.21Å; S243-E252 WeakPolarHBondContact CB-OE1 3.42Å; S243-E252 PolarHBondContact N-OE1 2.99Å; S243-E252 PolarHBondContact OG-OE1 2.8Å; L248-E252 HydrophobicContact CB-CB 4.46Å; L248-E252 HydrophobicContact CD2-CB 3.98Å; S249-E252 VanDerWaalsContact CB-OE2 3.31Å; S249-E252 WeakPolarHBondContact CB-OE2 3.39Å; S249-E252 PolarHBondContact N-OE2 2.93Å; S249-E252 PolarHBondContact O-N 3.36Å; S249-E252 WeakPolarHBondContact OG-CG 3.43Å; S249-E252 PolarHBondContact OG-N 3.34Å; S249-E252 PolarHBondContact OG-OE2 3.42Å; E252-D255 PolarHBondContact O-N 3.45Å; E252-F256 PolarHBondContact O-N 3.46Å
253	L	95.4	Very high	92.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-40.1	174.2	-179.2	59.9	0	0	0	111.6	L248 S249 D255 F256 L257 A269 L272 I273 M288	L248-L253 HydrophobicContact CD1-CD1 4.49Å; S249-L253 PolarHBondContact O-N 2.84Å; L253-D255 VanDerWaalsContact C-N 3.29Å; L253-D255 PolarHBondContact O-N 2.95Å; L253-F256 HydrophobicContact CD1-CD1 4.18Å; L253-F256 WeakPolarHBondContact O-CB 3.27Å; L253-F256 PolarHBondContact O-N 3.34Å; L253-L257 HydrophobicContact CG-CD1 4.36Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.48Å; L253-L257 PolarHBondContact O-N 3.24Å; L253-A269 HydrophobicContact CB-CB 4.35Å; L253-A269 HydrophobicContact CD2-CB 4.14Å; L253-A269 WeakPolarHBondContact CD2-O 3.4Å; L253-A269 HydrophobicContact CG-CB 4.17Å; L253-L272 HydrophobicContact CD2-CB 4.22Å; L253-I273 HydrophobicContact CD2-CD1 4.26Å; L253-I273 HydrophobicContact CD2-CG1 3.84Å; L253-M288 HydrophobicContact CD1-SD 4.21Å; L253-M288 HydrophobicContact CD2-CE 3.65Å; L253-M288 HydrophobicContact CD2-SD 4.09Å
254	R	95.8	Very high	92.8	Very high	83 Å²	83	48.6 Å²	48.6	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-57.7	-43.3	172.5	-179.2	-149.8	60	-160.1	-5.2	111.4	I250 A251 L257 G258 A264 L266 A269	I250-R254 VanDerWaalsContact O-CB 3.29Å; I250-R254 WeakPolarHBondContact O-CB 3.26Å; I250-R254 PolarHBondContact O-N 3.04Å; A251-R254 WeakPolarHBondContact O-CB 3.37Å; A251-R254 PolarHBondContact O-N 2.96Å; R254-L257 WeakPolarHBondContact O-CB 3.39Å; R254-L257 PolarHBondContact O-N 3.45Å; R254-G258 PolarHBondContact O-N 3.39Å; R254-A264 WeakPolarHBondContact CD-O 2.85Å; R254-A264 HydrophobicContact CG-CB 4.09Å; R254-A264 WeakPolarHBondContact CG-O 3.34Å; R254-L266 HydrophobicContact CB-CD2 4.3Å; R254-L266 HydrophobicContact CG-CD2 4.39Å; R254-A269 HydrophobicContact CB-CB 4.37Å
255	D	95.1	Very high	93.1	Very high	72 Å²	72	45.6 Å²	45.6	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-42	179.9	-65.2	-14	0	0	0	111.2	A251 E252 L253 L257 G258 D259	A251-D255 PolarHBondContact O-N 2.86Å; E252-D255 PolarHBondContact O-N 3.45Å; L253-D255 VanDerWaalsContact C-N 3.29Å; L253-D255 PolarHBondContact O-N 2.95Å; D255-L257 PolarHBondContact O-N 2.67Å; D255-G258 PolarHBondContact O-N 3.1Å; D255-D259 PolarHBondContact O-N 3.26Å; D255-D259 VanDerWaalsContact O-N 3.08Å
256	F	95.8	Very high	93.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.2	-49.8	170.2	166.3	-94.2	0	0	0	111.9	V237 Y241 E252 L253 G258 D259 Q260 F293 Y296 M297 Y749	V237-F256 HydrophobicContact CG1-CD2 4.32Å; V237-F256 HydrophobicContact CG1-CE2 3.87Å; Y241-F256 HydrophobicContact CD1-CB 3.91Å; Y241-F256 HydrophobicContact CD2-CB 4.07Å; Y241-F256 AromaticContact CD2-CD2 3.78Å; Y241-F256 HydrophobicContact CD2-CD2 3.78Å; Y241-F256 HydrophobicContact CD2-CG 4.39Å; Y241-F256 HydrophobicContact CE1-CB 4.07Å; Y241-F256 HydrophobicContact CE2-CB 4.24Å; Y241-F256 AromaticContact CE2-CD2 3.52Å; Y241-F256 HydrophobicContact CE2-CD2 3.52Å; Y241-F256 HydrophobicContact CE2-CE2 4.4Å; Y241-F256 HydrophobicContact CE2-CG 4.37Å; Y241-F256 HydrophobicContact CG-CB 3.92Å; Y241-F256 HydrophobicContact CG-CD2 4.48Å; E252-F256 PolarHBondContact O-N 3.46Å; L253-F256 HydrophobicContact CD1-CD1 4.18Å; L253-F256 WeakPolarHBondContact O-CB 3.27Å; L253-F256 PolarHBondContact O-N 3.34Å; F256-G258 VanDerWaalsContact C-N 3.34Å; F256-G258 PolarHBondContact O-N 3.45Å; F256-D259 PolarHBondContact O-N 3.38Å; F256-Q260 HydrophobicContact CD1-CG 4.3Å; F256-Q260 HydrophobicContact CD2-CG 4.35Å; F256-Q260 HydrophobicContact CE1-CG 3.78Å; F256-Q260 HydrophobicContact CE2-CG 3.87Å; F256-Q260 HydrophobicContact CZ-CG 3.55Å; F256-Q260 VanDerWaalsContact O-CG 3.24Å; F256-Q260 WeakPolarHBondContact O-CG 3.33Å; F256-Q260 PolarHBondContact O-N 3.16Å; F256-Q260 VanDerWaalsContact O-N 3.13Å; F256-Q260 PolarHBondContact O-NE2 3.39Å; F256-F293 HydrophobicContact CD1-CE2 4.06Å; F256-F293 HydrophobicContact CD2-CE2 4.27Å; F256-F293 HydrophobicContact CD2-CZ 4.19Å; F256-F293 AromaticContact CE1-CE2 3.94Å; F256-F293 HydrophobicContact CE1-CE2 3.94Å; F256-F293 HydrophobicContact CE1-CZ 4.32Å; F256-F293 HydrophobicContact CE2-CE2 4.13Å; F256-F293 AromaticContact CE2-CZ 3.79Å; F256-F293 HydrophobicContact CE2-CZ 3.79Å; F256-F293 HydrophobicContact CG-CE2 4.25Å; F256-F293 AromaticContact CZ-CE2 3.96Å; F256-F293 HydrophobicContact CZ-CE2 3.96Å; F256-F293 AromaticContact CZ-CZ 3.86Å; F256-F293 HydrophobicContact CZ-CZ 3.86Å; F256-Y296 AromaticContact CE1-CE1 3.94Å; F256-Y296 HydrophobicContact CE1-CE1 3.94Å; F256-M297 HydrophobicContact CE1-SD 4.19Å; F256-M297 HydrophobicContact CZ-CE 4.25Å; F256-M297 HydrophobicContact CZ-SD 3.63Å; F256-Y749 HydrophobicContact CE2-CD2 4.19Å
257	L	94.8	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-41	179.7	-68.1	165	0	0	0	112.1	L253 R254 D255 D259 Q260 R261 E262 A269 L272 Y296	L253-L257 HydrophobicContact CG-CD1 4.36Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.48Å; L253-L257 PolarHBondContact O-N 3.24Å; R254-L257 WeakPolarHBondContact O-CB 3.39Å; R254-L257 PolarHBondContact O-N 3.45Å; D255-L257 PolarHBondContact O-N 2.67Å; L257-D259 PolarHBondContact O-N 2.6Å; L257-Q260 PolarHBondContact O-N 3.02Å; L257-Q260 VanDerWaalsContact O-N 3.13Å; L257-R261 PolarHBondContact O-N 3.49Å; L257-E262 HydrophobicContact CB-CB 4.38Å; L257-E262 HydrophobicContact CD2-CB 4.27Å; L257-E262 PolarHBondContact O-N 2.85Å; L257-A269 HydrophobicContact CD1-CB 4.16Å; L257-L272 HydrophobicContact CD1-CD1 3.96Å; L257-L272 HydrophobicContact CD2-CD1 3.94Å; L257-L272 HydrophobicContact CG-CD1 4.49Å; L257-Y296 VanDerWaalsContact CD2-OH 3.31Å; L257-Y296 WeakPolarHBondContact CD2-OH 2.99Å
258	G	93.3	Very high	93.8	Very high	34 Å²	34	48 Å²	48	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-45.4	176	0	0	0	0	0	112.5	R254 D255 F256 Q260 R261	R254-G258 PolarHBondContact O-N 3.39Å; D255-G258 PolarHBondContact O-N 3.1Å; F256-G258 VanDerWaalsContact C-N 3.34Å; F256-G258 PolarHBondContact O-N 3.45Å; G258-Q260 VanDerWaalsContact C-N 3.26Å; G258-Q260 PolarHBondContact O-N 3.03Å; G258-R261 PolarHBondContact O-N 3.37Å
259	D	93.2	Very high	93.8	Very high	105 Å²	105	48 Å²	48	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-65.4	-29.4	176.1	-76.8	-11.9	0	0	0	112.9	Y241 D255 F256 L257 R261	Y241-D259 VanDerWaalsContact CE1-OD2 3.29Å; Y241-D259 WeakPolarHBondContact CE1-OD2 3.36Å; Y241-D259 WeakPolarHBondContact OH-CB 3.09Å; Y241-D259 PolarHBondContact OH-OD2 2.82Å; D255-D259 PolarHBondContact O-N 3.26Å; D255-D259 VanDerWaalsContact O-N 3.08Å; F256-D259 PolarHBondContact O-N 3.38Å; L257-D259 PolarHBondContact O-N 2.6Å; D259-R261 PolarHBondContact O-N 2.83Å
260	Q	92.3	Very high	93.7	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.1	175.2	-55.5	-28.6	-78.3	0	0	112.8	F256 L257 G258 E262 T747 Y749	F256-Q260 HydrophobicContact CD1-CG 4.3Å; F256-Q260 HydrophobicContact CD2-CG 4.35Å; F256-Q260 HydrophobicContact CE1-CG 3.78Å; F256-Q260 HydrophobicContact CE2-CG 3.87Å; F256-Q260 HydrophobicContact CZ-CG 3.55Å; F256-Q260 VanDerWaalsContact O-CG 3.24Å; F256-Q260 WeakPolarHBondContact O-CG 3.33Å; F256-Q260 PolarHBondContact O-N 3.16Å; F256-Q260 VanDerWaalsContact O-N 3.13Å; F256-Q260 PolarHBondContact O-NE2 3.39Å; L257-Q260 PolarHBondContact O-N 3.02Å; L257-Q260 VanDerWaalsContact O-N 3.13Å; G258-Q260 VanDerWaalsContact C-N 3.26Å; G258-Q260 PolarHBondContact O-N 3.03Å; Q260-E262 HydrophobicContact CB-CG 3.96Å; Q260-T747 PolarHBondContact O-OG1 2.74Å; Q260-Y749 VanDerWaalsContact OE1-CD2 3.28Å
261	R	89.9	Confident	93.6	Very high	173 Å²	173	52.4 Å²	52.4	65%	0.653	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	38.6	-171	-52.6	-175.6	175.1	-177.3	0.6	113.8	L257 G258 D259	L257-R261 PolarHBondContact O-N 3.49Å; G258-R261 PolarHBondContact O-N 3.37Å; D259-R261 PolarHBondContact O-N 2.83Å
262	E	89.4	Confident	93.5	Very high	51 Å²	51	50.5 Å²	50.5	24%	0.238	27%	0.266	C	S	.	.	S	Bend	trans	-104	-179.3	176.6	-62.9	-62.5	153.8	0	0	111.6	L257 Q260 A264 R746 R750	L257-E262 HydrophobicContact CB-CB 4.38Å; L257-E262 HydrophobicContact CD2-CB 4.27Å; L257-E262 PolarHBondContact O-N 2.85Å; Q260-E262 HydrophobicContact CB-CG 3.96Å; E262-A264 PolarHBondContact O-N 3.24Å; E262-R746 IonicContact OE1-CZ 3.2Å; E262-R746 VanDerWaalsContact OE1-CZ 3.26Å; E262-R746 IonicContact OE1-NE 2.79Å; E262-R746 PolarHBondContact OE1-NE 3.48Å; E262-R746 IonicContact OE1-NH2 3.04Å; E262-R746 PolarHBondContact OE1-NH2 3.23Å; E262-R746 IonicContact OE2-CZ 3.04Å; E262-R746 IonicContact OE2-NE 2.81Å; E262-R746 IonicContact OE2-NH2 2.68Å; E262-R746 PolarHBondContact OE2-NH2 2.73Å; E262-R750 IonicContact OE1-CZ 3.74Å; E262-R750 IonicContact OE1-NH2 2.64Å; E262-R750 PolarHBondContact OE1-NH2 3.43Å
263	D	89	Confident	93.3	Very high	88 Å²	88	49.2 Å²	49.2	47%	0.471	26%	0.26	S	S	.	.			trans	-63.1	101.1	173.2	178.9	19.2	0	0	0	110.7	S265 H268	D263-S265 PolarHBondContact O-N 3.24Å; D263-S265 WeakPolarHBondContact OD1-CB 3.27Å; D263-S265 PolarHBondContact OD1-N 3.34Å; D263-S265 PolarHBondContact OD1-OG 3.45Å; D263-S265 PolarHBondContact OD2-OG 2.79Å; D263-H268 HydrophobicContact CB-CB 4.48Å; D263-H268 PolarHBondContact O-CD2 3.46Å; D263-H268 VanDerWaalsContact O-CD2 3.25Å; D263-H268 WeakPolarHBondContact OD2-CB 3.38Å; D263-H268 IonicContact OD2-CG 2.81Å
264	A	91.5	Very high	93	Very high	43 Å²	43	53.1 Å²	53.1	36%	0.355	28%	0.28	S	S	.	.			trans	-86.4	35.2	177.1	0	0	0	0	0	112.3	R254 E262	R254-A264 WeakPolarHBondContact CD-O 2.85Å; R254-A264 HydrophobicContact CG-CB 4.09Å; R254-A264 WeakPolarHBondContact CG-O 3.34Å; E262-A264 PolarHBondContact O-N 3.24Å
265	S	94.2	Very high	92.5	Very high	30 Å²	30	53.1 Å²	53.1	21%	0.21	29%	0.29	C	S	.	.			trans	-79.3	142.1	171.2	73.4	0	0	0	0	111.3	D263 S267 H268 A269	D263-S265 PolarHBondContact O-N 3.24Å; D263-S265 WeakPolarHBondContact OD1-CB 3.27Å; D263-S265 PolarHBondContact OD1-N 3.34Å; D263-S265 PolarHBondContact OD1-OG 3.45Å; D263-S265 PolarHBondContact OD2-OG 2.79Å; S265-S267 PolarHBondContact O-N 3.11Å; S265-S267 PolarHBondContact OG-OG 2.81Å; S265-S267 VanDerWaalsContact OG-OG 3.07Å; S265-H268 PolarHBondContact O-N 2.91Å; S265-H268 WeakPolarHBondContact OG-CB 3.16Å; S265-H268 PolarHBondContact OG-N 3.07Å; S265-H268 VanDerWaalsContact OG-N 3.1Å; S265-A269 PolarHBondContact O-N 3.16Å; S265-A269 VanDerWaalsContact O-N 3.12Å
266	L	93.4	Very high	91.9	Very high	85 Å²	85	51.4 Å²	51.4	45%	0.445	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-34.4	175.4	-68.1	173.5	0	0	0	111.4	I250 R254 A269 Q270	I250-L266 HydrophobicContact CG2-CB 4.26Å; I250-L266 HydrophobicContact CG2-CD2 3.76Å; R254-L266 HydrophobicContact CB-CD2 4.3Å; R254-L266 HydrophobicContact CG-CD2 4.39Å; L266-A269 PolarHBondContact O-N 3.29Å; L266-Q270 WeakPolarHBondContact O-CB 3.43Å; L266-Q270 VanDerWaalsContact O-CG 3.23Å; L266-Q270 WeakPolarHBondContact O-CG 3.33Å; L266-Q270 PolarHBondContact O-N 3.18Å
267	S	95.5	Very high	91.4	Very high	67 Å²	67	51.7 Å²	51.7	47%	0.469	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-42.8	175.1	42.5	0	0	0	0	112.3	S265 Q270 N271	S265-S267 PolarHBondContact O-N 3.11Å; S265-S267 PolarHBondContact OG-OG 2.81Å; S265-S267 VanDerWaalsContact OG-OG 3.07Å; S267-Q270 PolarHBondContact O-N 3.06Å; S267-N271 VanDerWaalsContact O-CG 3.26Å; S267-N271 PolarHBondContact O-N 2.85Å; S267-N271 PolarHBondContact O-ND2 3.1Å
268	H	93.1	Very high	90.4	Very high	34 Å²	34	57.8 Å²	57.8	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-46.7	177.5	-178	58.9	0	0	0	111	D263 S265 Q270 N271 L272 E301	D263-H268 HydrophobicContact CB-CB 4.48Å; D263-H268 PolarHBondContact O-CD2 3.46Å; D263-H268 VanDerWaalsContact O-CD2 3.25Å; D263-H268 WeakPolarHBondContact OD2-CB 3.38Å; D263-H268 IonicContact OD2-CG 2.81Å; S265-H268 PolarHBondContact O-N 2.91Å; S265-H268 WeakPolarHBondContact OG-CB 3.16Å; S265-H268 PolarHBondContact OG-N 3.07Å; S265-H268 VanDerWaalsContact OG-N 3.1Å; H268-Q270 VanDerWaalsContact C-N 3.3Å; H268-Q270 PolarHBondContact O-N 2.85Å; H268-N271 WeakPolarHBondContact O-CB 3.28Å; H268-N271 PolarHBondContact O-N 3.08Å; H268-N271 VanDerWaalsContact O-N 3.08Å; H268-L272 WeakPolarHBondContact O-CG 3.47Å; H268-L272 PolarHBondContact O-N 3.34Å; H268-E301 IonicContact CE1-OE1 3.63Å; H268-E301 PolarHBondContact CE1-OE1 3Å
269	A	94.5	Very high	89.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-41.8	175.1	0	0	0	0	0	112.5	I250 L253 R254 L257 S265 L266 L272 I273	I250-A269 HydrophobicContact CG2-CB 3.92Å; L253-A269 HydrophobicContact CB-CB 4.35Å; L253-A269 HydrophobicContact CD2-CB 4.14Å; L253-A269 WeakPolarHBondContact CD2-O 3.4Å; L253-A269 HydrophobicContact CG-CB 4.17Å; R254-A269 HydrophobicContact CB-CB 4.37Å; L257-A269 HydrophobicContact CD1-CB 4.16Å; S265-A269 PolarHBondContact O-N 3.16Å; S265-A269 VanDerWaalsContact O-N 3.12Å; L266-A269 PolarHBondContact O-N 3.29Å; A269-L272 PolarHBondContact O-N 2.83Å; A269-I273 WeakPolarHBondContact O-CG1 3.29Å; A269-I273 PolarHBondContact O-N 3.38Å; A269-I273 VanDerWaalsContact O-N 3.15Å
270	Q	94.9	Very high	88.9	Confident	75 Å²	75	60 Å²	60	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-45.8	173.9	-75.1	171.5	-5.8	0	0	112.3	I250 L266 S267 H268 L272 I273 L274 M286	I250-Q270 HydrophobicContact CD1-CG 3.6Å; I250-Q270 HydrophobicContact CG1-CG 3.88Å; I250-Q270 HydrophobicContact CG2-CG 3.84Å; L266-Q270 WeakPolarHBondContact O-CB 3.43Å; L266-Q270 VanDerWaalsContact O-CG 3.23Å; L266-Q270 WeakPolarHBondContact O-CG 3.33Å; L266-Q270 PolarHBondContact O-N 3.18Å; S267-Q270 PolarHBondContact O-N 3.06Å; H268-Q270 VanDerWaalsContact C-N 3.3Å; H268-Q270 PolarHBondContact O-N 2.85Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 2.8Å; Q270-I273 WeakPolarHBondContact O-CB 3.39Å; Q270-I273 PolarHBondContact O-N 3.03Å; Q270-L274 WeakPolarHBondContact O-CG 3.38Å; Q270-L274 PolarHBondContact O-N 2.64Å; Q270-M286 HydrophobicContact CB-CE 3.74Å; Q270-M286 HydrophobicContact CG-CE 3.68Å
271	N	93.8	Very high	88.5	Confident	90 Å²	90	65.7 Å²	65.7	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-38.9	178.7	-71.8	-23	0	0	0	112	S267 H268 I273 L274 T275	S267-N271 VanDerWaalsContact O-CG 3.26Å; S267-N271 PolarHBondContact O-N 2.85Å; S267-N271 PolarHBondContact O-ND2 3.1Å; H268-N271 WeakPolarHBondContact O-CB 3.28Å; H268-N271 PolarHBondContact O-N 3.08Å; H268-N271 VanDerWaalsContact O-N 3.08Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 2.87Å; N271-L274 PolarHBondContact O-N 3.21Å; N271-T275 VanDerWaalsContact O-CB 3.32Å; N271-T275 WeakPolarHBondContact O-CB 3.43Å; N271-T275 PolarHBondContact O-N 3.07Å; N271-T275 PolarHBondContact O-OG1 2.69Å
272	L	92.4	Very high	88.2	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-41	175.2	-67.3	-179.1	0	0	0	111.8	L253 L257 H268 A269 Q270 T275 Y276 M288 Y296	L253-L272 HydrophobicContact CD2-CB 4.22Å; L257-L272 HydrophobicContact CD1-CD1 3.96Å; L257-L272 HydrophobicContact CD2-CD1 3.94Å; L257-L272 HydrophobicContact CG-CD1 4.49Å; H268-L272 WeakPolarHBondContact O-CG 3.47Å; H268-L272 PolarHBondContact O-N 3.34Å; A269-L272 PolarHBondContact O-N 2.83Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 2.8Å; L272-T275 PolarHBondContact O-N 2.92Å; L272-Y276 HydrophobicContact CB-CD2 4.44Å; L272-Y276 HydrophobicContact CD2-CD2 4.06Å; L272-Y276 HydrophobicContact CD2-CE2 3.71Å; L272-Y276 WeakPolarHBondContact O-CD2 3.44Å; L272-Y276 PolarHBondContact O-N 2.96Å; L272-M288 HydrophobicContact CB-CE 4.13Å; L272-Y296 HydrophobicContact CD1-CD2 4.13Å; L272-Y296 HydrophobicContact CD1-CE1 4.47Å; L272-Y296 HydrophobicContact CD1-CE2 3.63Å; L272-Y296 HydrophobicContact CD2-CD2 3.73Å; L272-Y296 HydrophobicContact CD2-CE2 3.52Å; L272-Y296 HydrophobicContact CG-CD2 4.42Å; L272-Y296 HydrophobicContact CG-CE2 4.19Å
273	I	92	Very high	87.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-50.1	174.8	-65	170	0	0	0	110	I250 L253 A269 Q270 N271 T275 E277 M288	I250-I273 HydrophobicContact CG1-CD1 3.83Å; L253-I273 HydrophobicContact CD2-CD1 4.26Å; L253-I273 HydrophobicContact CD2-CG1 3.84Å; A269-I273 WeakPolarHBondContact O-CG1 3.29Å; A269-I273 PolarHBondContact O-N 3.38Å; A269-I273 VanDerWaalsContact O-N 3.15Å; Q270-I273 WeakPolarHBondContact O-CB 3.39Å; Q270-I273 PolarHBondContact O-N 3.03Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 2.87Å; I273-T275 PolarHBondContact O-N 2.76Å; I273-E277 HydrophobicContact CG2-CB 4.2Å; I273-E277 WeakPolarHBondContact O-CB 3.43Å; I273-E277 PolarHBondContact O-N 3.28Å; I273-M288 HydrophobicContact CB-CE 4.47Å; I273-M288 HydrophobicContact CG1-CB 4.09Å; I273-M288 HydrophobicContact CG1-CE 3.91Å
274	L	89.3	Confident	87.9	Confident	82 Å²	82	61.9 Å²	61.9	43%	0.429	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-31.8	179.4	-66.8	174.5	0	0	0	112.6	Q270 N271 Q283 M286	Q270-L274 WeakPolarHBondContact O-CG 3.38Å; Q270-L274 PolarHBondContact O-N 2.64Å; N271-L274 PolarHBondContact O-N 3.21Å; L274-Q283 HydrophobicContact CD2-CG 3.88Å; L274-Q283 PolarHBondContact O-NE2 2.88Å; L274-M286 HydrophobicContact CD1-CE 4.45Å; L274-M286 HydrophobicContact CD2-CE 4.4Å; L274-M286 HydrophobicContact CD2-SD 3.95Å; L274-M286 HydrophobicContact CG-CE 4.28Å; L274-M286 HydrophobicContact CG-SD 4.46Å
275	T	85.4	Confident	88	Confident	83 Å²	83	67.6 Å²	67.6	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-83.2	-43.5	-176.3	-55.6	0	0	0	0	112.9	N271 L272 I273	N271-T275 VanDerWaalsContact O-CB 3.32Å; N271-T275 WeakPolarHBondContact O-CB 3.43Å; N271-T275 PolarHBondContact O-N 3.07Å; N271-T275 PolarHBondContact O-OG1 2.69Å; L272-T275 PolarHBondContact O-N 2.92Å; I273-T275 PolarHBondContact O-N 2.76Å
276	Y	82.9	Confident	88	Confident	35 Å²	35	68.6 Å²	68.6	14%	0.137	34%	0.344	C	S	.	.	H	α-helix	trans	-108.6	-11.7	-168.4	-62.5	-73.1	0	0	0	114.2	L272 F278 G292 Y296 S299 E301	L272-Y276 HydrophobicContact CB-CD2 4.44Å; L272-Y276 HydrophobicContact CD2-CD2 4.06Å; L272-Y276 HydrophobicContact CD2-CE2 3.71Å; L272-Y276 WeakPolarHBondContact O-CD2 3.44Å; L272-Y276 PolarHBondContact O-N 2.96Å; Y276-F278 WeakPolarHBondContact O-CD2 3.29Å; Y276-G292 WeakPolarHBondContact O-CA 3.46Å; Y276-Y296 AromaticContact CD2-CD2 3.8Å; Y276-Y296 HydrophobicContact CD2-CD2 3.8Å; Y276-Y296 HydrophobicContact CD2-CG 4.32Å; Y276-Y296 AromaticContact CE2-CD2 3.71Å; Y276-Y296 HydrophobicContact CE2-CD2 3.71Å; Y276-S299 VanDerWaalsContact CE1-CB 3.44Å; Y276-S299 WeakPolarHBondContact OH-CB 3.45Å; Y276-S299 PolarHBondContact OH-OG 3.32Å; Y276-E301 VanDerWaalsContact CE2-OE2 3.29Å; Y276-E301 WeakPolarHBondContact CE2-OE2 3.49Å; Y276-E301 WeakPolarHBondContact OH-CB 3.43Å; Y276-E301 PolarHBondContact OH-OE2 2.78Å
277	E	84.4	Confident	88.1	Confident	6 Å²	6	66 Å²	66	3%	0.028	33%	0.332	C	S	.	.			trans	-85.2	116.3	174.3	-173.5	51.4	-112.1	0	0	111.4	I273 N279 A282 Q283 T289	I273-E277 HydrophobicContact CG2-CB 4.2Å; I273-E277 WeakPolarHBondContact O-CB 3.43Å; I273-E277 PolarHBondContact O-N 3.28Å; E277-N279 HydrophobicContact CG-CB 4.5Å; E277-N279 WeakPolarHBondContact OE1-CB 3.44Å; E277-N279 PolarHBondContact OE1-N 3.14Å; E277-A282 HydrophobicContact CG-CB 3.85Å; E277-Q283 HydrophobicContact CB-CB 4.5Å; E277-Q283 HydrophobicContact CG-CB 4.25Å; E277-Q283 PolarHBondContact O-NE2 3.41Å; E277-T289 VanDerWaalsContact CD-OG1 3.3Å; E277-T289 PolarHBondContact OE1-OG1 3.04Å; E277-T289 WeakPolarHBondContact OE2-CA 3.45Å; E277-T289 WeakPolarHBondContact OE2-CB 3.38Å; E277-T289 WeakPolarHBondContact OE2-CG2 3.44Å; E277-T289 PolarHBondContact OE2-N 3.29Å; E277-T289 PolarHBondContact OE2-OG1 2.65Å
278	F	73.1	Confident	88	Confident	129 Å²	129	62.8 Å²	62.8	57%	0.566	31%	0.309	S	S	*	.			trans	-95.3	-9.2	179.8	-64.3	-73.2	0	0	0	113.4	T156 Y276 D280 M295	T156-F278 HydrophobicContact CG2-CZ 4.11Å; Y276-F278 WeakPolarHBondContact O-CD2 3.29Å; F278-D280 PolarHBondContact O-N 2.99Å; F278-M295 HydrophobicContact CD2-CG 4.28Å; F278-M295 HydrophobicContact CE2-CB 4.25Å; F278-M295 HydrophobicContact CE2-CE 4.04Å; F278-M295 HydrophobicContact CE2-CG 3.87Å
279	N	76.8	Confident	87.9	Confident	77 Å²	77	62.5 Å²	62.5	41%	0.412	31%	0.31	S	S	.	.			trans	-83.2	109.2	173.7	-175.2	-67.8	0	0	0	110.4	E277 L281 A282 Q283 T289	E277-N279 HydrophobicContact CG-CB 4.5Å; E277-N279 WeakPolarHBondContact OE1-CB 3.44Å; E277-N279 PolarHBondContact OE1-N 3.14Å; N279-L281 PolarHBondContact O-N 2.98Å; N279-L281 VanDerWaalsContact O-N 3.11Å; N279-L281 WeakPolarHBondContact OD1-CB 3.38Å; N279-L281 PolarHBondContact OD1-N 3.09Å; N279-A282 HydrophobicContact CB-CB 3.9Å; N279-A282 PolarHBondContact O-N 3.47Å; N279-A282 PolarHBondContact OD1-N 3.23Å; N279-Q283 WeakPolarHBondContact O-CB 3.22Å; N279-Q283 PolarHBondContact O-N 3.45Å; N279-T289 HydrophobicContact CB-CG2 4.47Å
280	D	78.1	Confident	87.5	Confident	109 Å²	109	65.2 Å²	65.2	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-53.1	-36.1	-178.3	-63.1	-26.3	0	0	0	114	F278 K284	F278-D280 PolarHBondContact O-N 2.99Å; D280-K284 VanDerWaalsContact O-CB 3.3Å; D280-K284 WeakPolarHBondContact O-CB 3.3Å; D280-K284 WeakPolarHBondContact O-CG 3.37Å; D280-K284 PolarHBondContact O-N 2.67Å
281	L	84.6	Confident	86.7	Confident	121 Å²	121	66.7 Å²	66.7	63%	0.634	33%	0.333	S	S	*	.	H	α-helix	trans	-73.6	-40.5	-179.9	-64	174	0	0	0	111.4	N279 K285	N279-L281 PolarHBondContact O-N 2.98Å; N279-L281 VanDerWaalsContact O-N 3.11Å; N279-L281 WeakPolarHBondContact OD1-CB 3.38Å; N279-L281 PolarHBondContact OD1-N 3.09Å; L281-K285 WeakPolarHBondContact O-CB 3.48Å; L281-K285 VanDerWaalsContact O-CG 3.31Å; L281-K285 WeakPolarHBondContact O-CG 3.49Å; L281-K285 PolarHBondContact O-N 3.12Å; L281-K285 VanDerWaalsContact O-N 3.11Å
282	A	83.1	Confident	86.1	Confident	8 Å²	8	62.5 Å²	62.5	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-44.3	176	0	0	0	0	0	110.9	E277 N279 K285 M286 V287 T289	E277-A282 HydrophobicContact CG-CB 3.85Å; N279-A282 HydrophobicContact CB-CB 3.9Å; N279-A282 PolarHBondContact O-N 3.47Å; N279-A282 PolarHBondContact OD1-N 3.23Å; A282-K285 CarbonylContact O-C 3.51Å; A282-K285 PolarHBondContact O-N 2.98Å; A282-K285 VanDerWaalsContact O-N 3.14Å; A282-M286 PolarHBondContact O-N 2.9Å; A282-V287 CarbonylContact C-O 3.55Å; A282-V287 HydrophobicContact CB-CG2 3.98Å; A282-V287 WeakPolarHBondContact O-CG2 3.32Å; A282-V287 PolarHBondContact O-N 3.48Å; A282-T289 HydrophobicContact CB-CG2 3.66Å
283	Q	84.2	Confident	86	Confident	58 Å²	58	62.5 Å²	62.5	27%	0.271	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-46.5	176.4	-165.2	-172.2	61.1	0	0	111.5	L274 E277 N279 K285 M286	L274-Q283 HydrophobicContact CD2-CG 3.88Å; L274-Q283 PolarHBondContact O-NE2 2.88Å; E277-Q283 HydrophobicContact CB-CB 4.5Å; E277-Q283 HydrophobicContact CG-CB 4.25Å; E277-Q283 PolarHBondContact O-NE2 3.41Å; N279-Q283 WeakPolarHBondContact O-CB 3.22Å; N279-Q283 PolarHBondContact O-N 3.45Å; Q283-K285 VanDerWaalsContact C-N 3.25Å; Q283-K285 PolarHBondContact O-N 2.9Å; Q283-M286 WeakPolarHBondContact O-CA 3.36Å; Q283-M286 PolarHBondContact O-N 2.57Å
284	K	89.4	Confident	85.7	Confident	167 Å²	167	63.7 Å²	63.7	73%	0.726	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-32.9	174.2	-78	172.5	-176.2	175.5	0	113.4	D280 M286	D280-K284 VanDerWaalsContact O-CB 3.3Å; D280-K284 WeakPolarHBondContact O-CB 3.3Å; D280-K284 WeakPolarHBondContact O-CG 3.37Å; D280-K284 PolarHBondContact O-N 2.67Å; K284-M286 VanDerWaalsContact C-N 3.27Å
285	K	92.9	Very high	85.3	Confident	162 Å²	162	61 Å²	61	70%	0.704	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.6	175.4	-71.7	179.5	-179.8	-175.9	0	113.1	L281 A282 Q283 V287	L281-K285 WeakPolarHBondContact O-CB 3.48Å; L281-K285 VanDerWaalsContact O-CG 3.31Å; L281-K285 WeakPolarHBondContact O-CG 3.49Å; L281-K285 PolarHBondContact O-N 3.12Å; L281-K285 VanDerWaalsContact O-N 3.11Å; A282-K285 CarbonylContact O-C 3.51Å; A282-K285 PolarHBondContact O-N 2.98Å; A282-K285 VanDerWaalsContact O-N 3.14Å; Q283-K285 VanDerWaalsContact C-N 3.25Å; Q283-K285 PolarHBondContact O-N 2.9Å; K285-V287 VanDerWaalsContact C-N 3.31Å; K285-V287 HydrophobicContact CB-CG2 4.1Å; K285-V287 PolarHBondContact O-N 2.99Å
286	M	94.3	Very high	85.4	Confident	52 Å²	52	57 Å²	57	26%	0.256	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	46.1	-175.7	-58.4	-64.9	-74.3	0	0	112.8	I250 Q270 L274 A282 Q283 K284	I250-M286 HydrophobicContact CD1-CB 3.89Å; I250-M286 HydrophobicContact CG1-CB 4.32Å; Q270-M286 HydrophobicContact CB-CE 3.74Å; Q270-M286 HydrophobicContact CG-CE 3.68Å; L274-M286 HydrophobicContact CD1-CE 4.45Å; L274-M286 HydrophobicContact CD2-CE 4.4Å; L274-M286 HydrophobicContact CD2-SD 3.95Å; L274-M286 HydrophobicContact CG-CE 4.28Å; L274-M286 HydrophobicContact CG-SD 4.46Å; A282-M286 PolarHBondContact O-N 2.9Å; Q283-M286 WeakPolarHBondContact O-CA 3.36Å; Q283-M286 PolarHBondContact O-N 2.57Å; K284-M286 VanDerWaalsContact C-N 3.27Å
287	V	94.9	Very high	85.8	Confident	30 Å²	30	55.4 Å²	55.4	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.4	174.3	-61.9	0	0	0	0	110.5	V247 L248 A282 K285	V247-V287 HydrophobicContact CB-CB 4.15Å; V247-V287 HydrophobicContact CB-CG2 4.29Å; V247-V287 HydrophobicContact CG1-CG2 4.2Å; V247-V287 HydrophobicContact CG2-CB 4.38Å; L248-V287 CarbonylContact O-C 3.59Å; L248-V287 WeakPolarHBondContact O-CA 3.42Å; A282-V287 CarbonylContact C-O 3.55Å; A282-V287 HydrophobicContact CB-CG2 3.98Å; A282-V287 WeakPolarHBondContact O-CG2 3.32Å; A282-V287 PolarHBondContact O-N 3.48Å; K285-V287 VanDerWaalsContact C-N 3.31Å; K285-V287 HydrophobicContact CB-CG2 4.1Å; K285-V287 PolarHBondContact O-N 2.99Å
288	M	93.3	Very high	85.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.8	176.4	-164.5	171.8	-85.6	0	0	110.6	V247 L248 L253 L272 I273 F293	V247-M288 CarbonylContact C-O 3.56Å; V247-M288 VanDerWaalsContact CA-O 3.31Å; V247-M288 WeakPolarHBondContact CA-O 3.46Å; L248-M288 HydrophobicContact CB-CB 4.24Å; L248-M288 PolarHBondContact N-O 3.29Å; L248-M288 PolarHBondContact O-N 3.21Å; L253-M288 HydrophobicContact CD1-SD 4.21Å; L253-M288 HydrophobicContact CD2-CE 3.65Å; L253-M288 HydrophobicContact CD2-SD 4.09Å; L272-M288 HydrophobicContact CB-CE 4.13Å; I273-M288 HydrophobicContact CB-CE 4.47Å; I273-M288 HydrophobicContact CG1-CB 4.09Å; I273-M288 HydrophobicContact CG1-CE 3.91Å; M288-F293 HydrophobicContact CG-CB 4.23Å; M288-F293 VanDerWaalsContact SD-CA 3.55Å; M288-F293 HydrophobicContact SD-CB 3.89Å; M288-F293 HydrophobicContact SD-CD2 4.12Å
289	T	91.1	Very high	86.2	Confident	28 Å²	28	50.8 Å²	50.8	17%	0.172	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	167.1	170.6	69.1	0	0	0	0	110.9	E277 N279 A282 N291 G292 F293	E277-T289 VanDerWaalsContact CD-OG1 3.3Å; E277-T289 PolarHBondContact OE1-OG1 3.04Å; E277-T289 WeakPolarHBondContact OE2-CA 3.45Å; E277-T289 WeakPolarHBondContact OE2-CB 3.38Å; E277-T289 WeakPolarHBondContact OE2-CG2 3.44Å; E277-T289 PolarHBondContact OE2-N 3.29Å; E277-T289 PolarHBondContact OE2-OG1 2.65Å; N279-T289 HydrophobicContact CB-CG2 4.47Å; A282-T289 HydrophobicContact CB-CG2 3.66Å; T289-N291 PolarHBondContact O-N 3.45Å; T289-N291 PolarHBondContact OG1-N 3.36Å; T289-G292 PolarHBondContact O-N 3.02Å; T289-G292 PolarHBondContact OG1-N 3.07Å; T289-F293 PolarHBondContact O-N 2.81Å
290	Q	86.2	Confident	86.5	Confident	56 Å²	56	53.2 Å²	53.2	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-56	-35	173.2	-173.6	-172.3	-46.1	0	0	112.8	E235 F238 T294	E235-Q290 PolarHBondContact OE1-NE2 2.84Å; F238-Q290 HydrophobicContact CD1-CB 4.3Å; F238-Q290 HydrophobicContact CD1-CG 4.4Å; F238-Q290 HydrophobicContact CD2-CB 4.43Å; F238-Q290 HydrophobicContact CE1-CB 4.15Å; F238-Q290 HydrophobicContact CE2-CB 4.26Å; F238-Q290 HydrophobicContact CG-CB 4.43Å; F238-Q290 HydrophobicContact CG-CG 4.35Å; F238-Q290 HydrophobicContact CZ-CB 4.11Å; Q290-T294 WeakPolarHBondContact O-CB 3.48Å; Q290-T294 PolarHBondContact O-N 2.82Å; Q290-T294 PolarHBondContact O-OG1 3.3Å
291	N	78.9	Confident	86.9	Confident	107 Å²	107	51.3 Å²	51.3	57%	0.572	25%	0.253	S	S	*	.	H	α-helix	trans	-68.7	-47.9	177.3	-73.4	-19.4	0	0	0	110.8	T289 F293 T294 M295	T289-N291 PolarHBondContact O-N 3.45Å; T289-N291 PolarHBondContact OG1-N 3.36Å; N291-F293 VanDerWaalsContact C-N 3.28Å; N291-F293 PolarHBondContact O-N 2.91Å; N291-T294 PolarHBondContact O-N 3.16Å; N291-T294 VanDerWaalsContact O-N 3.17Å; N291-M295 VanDerWaalsContact O-CG 3.3Å; N291-M295 WeakPolarHBondContact O-CG 3.13Å; N291-M295 PolarHBondContact O-N 3.07Å
292	G	81.1	Confident	87.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-42.3	175.3	0	0	0	0	0	112.2	Y276 T289 M295 Y296	Y276-G292 WeakPolarHBondContact O-CA 3.46Å; T289-G292 PolarHBondContact O-N 3.02Å; T289-G292 PolarHBondContact OG1-N 3.07Å; G292-M295 PolarHBondContact O-N 3Å; G292-Y296 PolarHBondContact O-N 2.77Å
293	F	90.9	Very high	87.8	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-44.6	174.9	-176.6	-104.3	0	0	0	112.3	V237 F238 L248 F256 M288 T289 N291 M295 Y296 M297	V237-F293 HydrophobicContact CG1-CE1 4.23Å; V237-F293 HydrophobicContact CG1-CZ 4.01Å; F238-F293 HydrophobicContact CB-CD1 4.02Å; F238-F293 HydrophobicContact CB-CE1 4.23Å; F238-F293 HydrophobicContact CD2-CB 3.74Å; F238-F293 AromaticContact CD2-CD1 3.92Å; F238-F293 HydrophobicContact CD2-CD1 3.92Å; F238-F293 AromaticContact CD2-CG 3.82Å; F238-F293 HydrophobicContact CD2-CG 3.82Å; F238-F293 HydrophobicContact CE2-CB 4.1Å; F238-F293 HydrophobicContact CG-CD1 4.47Å; L248-F293 HydrophobicContact CD1-CD2 3.76Å; L248-F293 HydrophobicContact CD1-CE2 4.23Å; L248-F293 HydrophobicContact CD1-CG 4.26Å; F256-F293 HydrophobicContact CD1-CE2 4.06Å; F256-F293 HydrophobicContact CD2-CE2 4.27Å; F256-F293 HydrophobicContact CD2-CZ 4.19Å; F256-F293 AromaticContact CE1-CE2 3.94Å; F256-F293 HydrophobicContact CE1-CE2 3.94Å; F256-F293 HydrophobicContact CE1-CZ 4.32Å; F256-F293 HydrophobicContact CE2-CE2 4.13Å; F256-F293 AromaticContact CE2-CZ 3.79Å; F256-F293 HydrophobicContact CE2-CZ 3.79Å; F256-F293 HydrophobicContact CG-CE2 4.25Å; F256-F293 AromaticContact CZ-CE2 3.96Å; F256-F293 HydrophobicContact CZ-CE2 3.96Å; F256-F293 AromaticContact CZ-CZ 3.86Å; F256-F293 HydrophobicContact CZ-CZ 3.86Å; M288-F293 HydrophobicContact CG-CB 4.23Å; M288-F293 VanDerWaalsContact SD-CA 3.55Å; M288-F293 HydrophobicContact SD-CB 3.89Å; M288-F293 HydrophobicContact SD-CD2 4.12Å; T289-F293 PolarHBondContact O-N 2.81Å; N291-F293 VanDerWaalsContact C-N 3.28Å; N291-F293 PolarHBondContact O-N 2.91Å; F293-M295 VanDerWaalsContact C-N 3.28Å; F293-M295 PolarHBondContact O-N 3.04Å; F293-Y296 PolarHBondContact O-N 2.96Å; F293-M297 HydrophobicContact CD1-CG 4Å; F293-M297 HydrophobicContact CD2-CG 4.5Å; F293-M297 HydrophobicContact CE1-CG 3.65Å; F293-M297 HydrophobicContact CE1-SD 4.23Å; F293-M297 HydrophobicContact CE2-CG 4.18Å; F293-M297 HydrophobicContact CE2-SD 4.09Å; F293-M297 HydrophobicContact CG-CG 4.42Å; F293-M297 HydrophobicContact CZ-CG 3.75Å; F293-M297 HydrophobicContact CZ-SD 3.73Å; F293-M297 WeakPolarHBondContact O-CB 3.17Å; F293-M297 VanDerWaalsContact O-CG 3.24Å; F293-M297 WeakPolarHBondContact O-CG 3.42Å; F293-M297 PolarHBondContact O-N 3.12Å
294	T	85.3	Confident	88.4	Confident	25 Å²	25	42.7 Å²	42.7	15%	0.153	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-40	176.6	-60.5	0	0	0	0	111.6	L234 Q290 N291 M297 L298	L234-T294 HydrophobicContact CD1-CG2 3.78Å; Q290-T294 WeakPolarHBondContact O-CB 3.48Å; Q290-T294 PolarHBondContact O-N 2.82Å; Q290-T294 PolarHBondContact O-OG1 3.3Å; N291-T294 PolarHBondContact O-N 3.16Å; N291-T294 VanDerWaalsContact O-N 3.17Å; T294-M297 PolarHBondContact O-N 3.45Å; T294-L298 HydrophobicContact CG2-CD1 4.01Å; T294-L298 WeakPolarHBondContact O-CB 3.39Å; T294-L298 WeakPolarHBondContact O-CG 3.37Å; T294-L298 PolarHBondContact O-N 3.13Å; T294-L298 VanDerWaalsContact O-N 3.1Å
295	M	79.4	Confident	88.8	Confident	25 Å²	25	35.7 Å²	35.7	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-43.2	177.4	-69.6	-56.9	-59.5	0	0	112.1	T156 K158 F278 N291 G292 F293 L298 S299	T156-M295 HydrophobicContact CG2-CE 4Å; K158-M295 HydrophobicContact CB-SD 4.11Å; F278-M295 HydrophobicContact CD2-CG 4.28Å; F278-M295 HydrophobicContact CE2-CB 4.25Å; F278-M295 HydrophobicContact CE2-CE 4.04Å; F278-M295 HydrophobicContact CE2-CG 3.87Å; N291-M295 VanDerWaalsContact O-CG 3.3Å; N291-M295 WeakPolarHBondContact O-CG 3.13Å; N291-M295 PolarHBondContact O-N 3.07Å; G292-M295 PolarHBondContact O-N 3Å; F293-M295 VanDerWaalsContact C-N 3.28Å; F293-M295 PolarHBondContact O-N 3.04Å; M295-L298 PolarHBondContact O-N 3.37Å; M295-S299 PolarHBondContact O-N 3.47Å; M295-S299 VanDerWaalsContact O-N 3.13Å
296	Y	89.3	Confident	88.9	Confident	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-47.8	171.8	166.7	-108.6	0	0	0	111.6	F256 L257 L272 Y276 G292 F293 L298 S299 N302	F256-Y296 AromaticContact CE1-CE1 3.94Å; F256-Y296 HydrophobicContact CE1-CE1 3.94Å; L257-Y296 VanDerWaalsContact CD2-OH 3.31Å; L257-Y296 WeakPolarHBondContact CD2-OH 2.99Å; L272-Y296 HydrophobicContact CD1-CD2 4.13Å; L272-Y296 HydrophobicContact CD1-CE1 4.47Å; L272-Y296 HydrophobicContact CD1-CE2 3.63Å; L272-Y296 HydrophobicContact CD2-CD2 3.73Å; L272-Y296 HydrophobicContact CD2-CE2 3.52Å; L272-Y296 HydrophobicContact CG-CD2 4.42Å; L272-Y296 HydrophobicContact CG-CE2 4.19Å; Y276-Y296 AromaticContact CD2-CD2 3.8Å; Y276-Y296 HydrophobicContact CD2-CD2 3.8Å; Y276-Y296 HydrophobicContact CD2-CG 4.32Å; Y276-Y296 AromaticContact CE2-CD2 3.71Å; Y276-Y296 HydrophobicContact CE2-CD2 3.71Å; G292-Y296 PolarHBondContact O-N 2.77Å; F293-Y296 PolarHBondContact O-N 2.96Å; Y296-L298 PolarHBondContact O-N 2.72Å; Y296-S299 VanDerWaalsContact O-CB 3.25Å; Y296-S299 WeakPolarHBondContact O-CB 3.22Å; Y296-S299 PolarHBondContact O-N 3.38Å; Y296-S299 PolarHBondContact O-OG 2.87Å; Y296-N302 HydrophobicContact CE1-CB 4.41Å; Y296-N302 HydrophobicContact CE2-CB 4.21Å; Y296-N302 VanDerWaalsContact O-CB 3.27Å; Y296-N302 WeakPolarHBondContact O-CB 3.27Å
297	M	90.3	Very high	88.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-32	-177.9	-70.8	-57.4	-64.2	0	0	113.5	L234 F256 F293 T294 N302 Y749 H751 F768	L234-M297 HydrophobicContact CD2-CB 4.24Å; L234-M297 HydrophobicContact CD2-CE 4.42Å; L234-M297 HydrophobicContact CD2-CG 4.13Å; F256-M297 HydrophobicContact CE1-SD 4.19Å; F256-M297 HydrophobicContact CZ-CE 4.25Å; F256-M297 HydrophobicContact CZ-SD 3.63Å; F293-M297 HydrophobicContact CD1-CG 4Å; F293-M297 HydrophobicContact CD2-CG 4.5Å; F293-M297 HydrophobicContact CE1-CG 3.65Å; F293-M297 HydrophobicContact CE1-SD 4.23Å; F293-M297 HydrophobicContact CE2-CG 4.18Å; F293-M297 HydrophobicContact CE2-SD 4.09Å; F293-M297 HydrophobicContact CG-CG 4.42Å; F293-M297 HydrophobicContact CZ-CG 3.75Å; F293-M297 HydrophobicContact CZ-SD 3.73Å; F293-M297 WeakPolarHBondContact O-CB 3.17Å; F293-M297 VanDerWaalsContact O-CG 3.24Å; F293-M297 WeakPolarHBondContact O-CG 3.42Å; F293-M297 PolarHBondContact O-N 3.12Å; T294-M297 PolarHBondContact O-N 3.45Å; M297-N302 WeakPolarHBondContact CE-ND2 2.95Å; M297-N302 PolarHBondContact O-ND2 3.02Å; M297-N302 VanDerWaalsContact O-ND2 3.15Å; M297-Y749 VanDerWaalsContact CE-CB 3.46Å; M297-Y749 WeakPolarHBondContact CE-O 3.46Å; M297-H751 PolarHBondContact O-CD2 3.42Å; M297-F768 HydrophobicContact CE-CE2 3.78Å; M297-F768 HydrophobicContact CE-CZ 4.28Å
298	L	82.5	Confident	88.7	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.12	18%	0.177	C	C	.	.	H	α-helix	trans	-85.9	-12	177.7	-75.8	173.8	0	0	0	114.2	T294 M295 Y296 H751 H753	T294-L298 HydrophobicContact CG2-CD1 4.01Å; T294-L298 WeakPolarHBondContact O-CB 3.39Å; T294-L298 WeakPolarHBondContact O-CG 3.37Å; T294-L298 PolarHBondContact O-N 3.13Å; T294-L298 VanDerWaalsContact O-N 3.1Å; M295-L298 PolarHBondContact O-N 3.37Å; Y296-L298 PolarHBondContact O-N 2.72Å; L298-H751 WeakPolarHBondContact CD2-CE1 3.32Å; L298-H753 PolarHBondContact O-NE2 2.82Å
299	S	83.1	Confident	88.9	Confident	16 Å²	16	34.8 Å²	34.8	11%	0.112	18%	0.183	C	C	.	.	S	Bend	trans	-67.1	157.3	-176.8	75.3	0	0	0	0	112.2	Y276 M295 Y296 E301 N302 D303	Y276-S299 VanDerWaalsContact CE1-CB 3.44Å; Y276-S299 WeakPolarHBondContact OH-CB 3.45Å; Y276-S299 PolarHBondContact OH-OG 3.32Å; M295-S299 PolarHBondContact O-N 3.47Å; M295-S299 VanDerWaalsContact O-N 3.13Å; Y296-S299 VanDerWaalsContact O-CB 3.25Å; Y296-S299 WeakPolarHBondContact O-CB 3.22Å; Y296-S299 PolarHBondContact O-N 3.38Å; Y296-S299 PolarHBondContact O-OG 2.87Å; S299-E301 PolarHBondContact O-N 3.48Å; S299-E301 PolarHBondContact OG-N 3.1Å; S299-N302 CarbonylContact O-C 3.47Å; S299-N302 PolarHBondContact O-N 3.03Å; S299-N302 VanDerWaalsContact O-N 3.13Å; S299-N302 PolarHBondContact OG-N 3.34Å; S299-D303 PolarHBondContact O-N 2.72Å
300	M	84.1	Confident	89	Confident	128 Å²	128	36.1 Å²	36.1	63%	0.631	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-64.5	-19.8	170.5	-62.7	-58.5	-55.3	0	0	112.3	N302 D303	M300-N302 VanDerWaalsContact C-N 3.3Å; M300-D303 VanDerWaalsContact CE-OD2 3.28Å; M300-D303 WeakPolarHBondContact CE-OD2 3.21Å; M300-D303 VanDerWaalsContact O-CB 3.28Å; M300-D303 WeakPolarHBondContact O-CB 3.45Å; M300-D303 PolarHBondContact O-N 3.31Å
301	E	86.7	Confident	89.4	Confident	68 Å²	68	40.4 Å²	40.4	32%	0.318	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-72.3	-26.1	175.4	-171.2	174.2	-178.3	0	0	111.9	H268 Y276 S299 R746	H268-E301 IonicContact CE1-OE1 3.63Å; H268-E301 PolarHBondContact CE1-OE1 3Å; Y276-E301 VanDerWaalsContact CE2-OE2 3.29Å; Y276-E301 WeakPolarHBondContact CE2-OE2 3.49Å; Y276-E301 WeakPolarHBondContact OH-CB 3.43Å; Y276-E301 PolarHBondContact OH-OE2 2.78Å; S299-E301 PolarHBondContact O-N 3.48Å; S299-E301 PolarHBondContact OG-N 3.1Å; E301-R746 PolarHBondContact O-NH1 2.8Å; E301-R746 PolarHBondContact O-NH2 3.11Å
302	N	91.9	Very high	90.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-103.7	19.4	174.5	-164.7	64.8	0	0	0	113.1	Y296 M297 S299 M300 Y749 R750	Y296-N302 HydrophobicContact CE1-CB 4.41Å; Y296-N302 HydrophobicContact CE2-CB 4.21Å; Y296-N302 VanDerWaalsContact O-CB 3.27Å; Y296-N302 WeakPolarHBondContact O-CB 3.27Å; M297-N302 WeakPolarHBondContact CE-ND2 2.95Å; M297-N302 PolarHBondContact O-ND2 3.02Å; M297-N302 VanDerWaalsContact O-ND2 3.15Å; S299-N302 CarbonylContact O-C 3.47Å; S299-N302 PolarHBondContact O-N 3.03Å; S299-N302 VanDerWaalsContact O-N 3.13Å; S299-N302 PolarHBondContact OG-N 3.34Å; M300-N302 VanDerWaalsContact C-N 3.3Å; N302-Y749 PolarHBondContact ND2-O 3.19Å; N302-R750 WeakPolarHBondContact O-CD 3.33Å; N302-R750 PolarHBondContact OD1-NH1 2.94Å
303	D	93.8	Very high	90.9	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-62.8	150.8	177.1	-162.1	-66.7	0	0	0	111.5	S299 M300 F305 R746 H753	S299-D303 PolarHBondContact O-N 2.72Å; M300-D303 VanDerWaalsContact CE-OD2 3.28Å; M300-D303 WeakPolarHBondContact CE-OD2 3.21Å; M300-D303 VanDerWaalsContact O-CB 3.28Å; M300-D303 WeakPolarHBondContact O-CB 3.45Å; M300-D303 PolarHBondContact O-N 3.31Å; D303-F305 PolarHBondContact O-N 3.45Å; D303-F305 WeakPolarHBondContact OD1-CB 3.33Å; D303-F305 PolarHBondContact OD1-N 3Å; D303-R746 PolarHBondContact O-NH1 2.85Å; D303-R746 VanDerWaalsContact O-NH1 3.08Å; D303-H753 IonicContact OD2-CE1 3.18Å; D303-H753 IonicContact OD2-CG 2.96Å; D303-H753 IonicContact OD2-ND1 2.69Å; D303-H753 PolarHBondContact OD2-ND1 3.23Å
304	V	97.3	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-58.5	-33.5	172.7	67.5	0	0	0	0	112.2	F738 L740 L745 R746 R750 H751 V752 I769	V304-F738 HydrophobicContact CG1-CD1 4.25Å; V304-F738 HydrophobicContact CG1-CE1 3.73Å; V304-L740 HydrophobicContact CG1-CD1 4.49Å; V304-L745 HydrophobicContact CG2-CD1 3.38Å; V304-R746 PolarHBondContact O-N 2.74Å; V304-R750 HydrophobicContact CB-CB 3.96Å; V304-R750 HydrophobicContact CG2-CB 4.32Å; V304-H751 WeakPolarHBondContact CB-O 3.43Å; V304-H751 WeakPolarHBondContact CG1-O 3.47Å; V304-H751 PolarHBondContact N-O 3.07Å; V304-V752 HydrophobicContact CB-CG2 4.09Å; V304-V752 HydrophobicContact CG1-CB 4.15Å; V304-V752 HydrophobicContact CG1-CG1 4.14Å; V304-V752 HydrophobicContact CG1-CG2 3.92Å; V304-V752 HydrophobicContact CG2-CG2 4.19Å; V304-I769 HydrophobicContact CG2-CD1 4.02Å
305	F	97.4	Very high	91.7	Very high	20 Å²	20	46 Å²	46	9%	0.088	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-78.3	133.4	171.8	172.7	-108.3	0	0	0	110.2	D303 P307 H309 A310 L612 P613 F738 L740	D303-F305 PolarHBondContact O-N 3.45Å; D303-F305 WeakPolarHBondContact OD1-CB 3.33Å; D303-F305 PolarHBondContact OD1-N 3Å; F305-P307 WeakPolarHBondContact O-CD 3.42Å; F305-H309 HydrophobicContact CE2-CB 4.07Å; F305-H309 HydrophobicContact CZ-CB 3.8Å; F305-A310 HydrophobicContact CE1-CB 3.95Å; F305-L612 HydrophobicContact CD2-CD2 3.85Å; F305-L612 HydrophobicContact CD2-CG 4.18Å; F305-L612 HydrophobicContact CE1-CG 4.5Å; F305-L612 HydrophobicContact CE2-CD2 4.13Å; F305-L612 HydrophobicContact CE2-CG 3.94Å; F305-L612 HydrophobicContact CG-CD2 4.11Å; F305-L612 HydrophobicContact CZ-CG 4.11Å; F305-P613 HydrophobicContact CE2-CB 4.27Å; F305-P613 HydrophobicContact CE2-CG 4.13Å; F305-P613 HydrophobicContact CZ-CB 4.49Å; F305-F738 HydrophobicContact CB-CZ 4.26Å; F305-L740 HydrophobicContact CB-CD1 4.09Å; F305-L740 HydrophobicContact CD2-CD1 4.33Å
306	N	96	Very high	92.4	Very high	31 Å²	31	45.2 Å²	45.2	17%	0.166	23%	0.234	C	C	.	.			trans	-64.5	113.8	179.1	-171.7	-8	0	0	0	112.4	N308 H309 S744 R746	N306-N308 PolarHBondContact O-N 3.21Å; N306-N308 VanDerWaalsContact O-N 3.17Å; N306-N308 WeakPolarHBondContact OD1-CB 3.49Å; N306-N308 PolarHBondContact OD1-N 3.41Å; N306-H309 HydrophobicContact CB-CB 4.36Å; N306-H309 PolarHBondContact ND2-NE2 3.11Å; N306-H309 WeakPolarHBondContact O-CB 3.45Å; N306-H309 PolarHBondContact O-N 2.8Å; N306-S744 PolarHBondContact N-O 2.97Å; N306-R746 HydrophobicContact CB-CG 4.02Å
307	P	92.7	Very high	92.5	Very high	43 Å²	43	49 Å²	49	28%	0.279	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-61.2	-28.2	-179.5	-23.6	35.7	0	0	0	113.3	F305 H309 A310	F305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-H309 PolarHBondContact O-N 2.94Å; P307-A310 WeakPolarHBondContact O-CB 3.37Å; P307-A310 PolarHBondContact O-N 3.41Å
308	N	92.4	Very high	92.5	Very high	125 Å²	125	54.9 Å²	54.9	67%	0.668	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-65.5	-23.6	175.8	-65.4	-28.4	0	0	0	112.3	N306 A310	N306-N308 PolarHBondContact O-N 3.21Å; N306-N308 VanDerWaalsContact O-N 3.17Å; N306-N308 WeakPolarHBondContact OD1-CB 3.49Å; N306-N308 PolarHBondContact OD1-N 3.41Å; N308-A310 VanDerWaalsContact C-N 3.32Å
309	H	96.5	Very high	92.9	Very high	25 Å²	25	54.1 Å²	54.1	12%	0.116	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-86.9	-3.5	175.5	-61.8	-176.1	0	0	0	112.5	F305 N306 P307 Q311 Y313 P613 N614 T743 S744	F305-H309 HydrophobicContact CE2-CB 4.07Å; F305-H309 HydrophobicContact CZ-CB 3.8Å; N306-H309 HydrophobicContact CB-CB 4.36Å; N306-H309 PolarHBondContact ND2-NE2 3.11Å; N306-H309 WeakPolarHBondContact O-CB 3.45Å; N306-H309 PolarHBondContact O-N 2.8Å; P307-H309 PolarHBondContact O-N 2.94Å; H309-Q311 PolarHBondContact O-N 3Å; H309-Y313 HydrophobicContact CB-CD1 4.04Å; H309-Y313 HydrophobicContact CB-CE1 3.65Å; H309-Y313 AromaticContact CD2-CD2 3.91Å; H309-Y313 AromaticContact CD2-CE1 3.86Å; H309-Y313 AromaticContact CD2-CE2 3.68Å; H309-Y313 AromaticContact CD2-CZ 3.65Å; H309-Y313 AromaticContact CE1-CZ 3.88Å; H309-Y313 AromaticContact CG-CE1 3.62Å; H309-Y313 AromaticContact CG-CZ 3.6Å; H309-Y313 AromaticContact ND1-CZ 3.74Å; H309-Y313 AromaticContact NE2-CE2 3.65Å; H309-Y313 AromaticContact NE2-CZ 3.86Å; H309-P613 HydrophobicContact CB-CB 4.2Å; H309-P613 CarbonylContact O-C 3.56Å; H309-P613 WeakPolarHBondContact O-CA 3.24Å; H309-N614 PolarHBondContact O-N 2.97Å; H309-T743 PolarHBondContact CE1-O 3.48Å; H309-T743 VanDerWaalsContact CE1-O 3.29Å; H309-S744 WeakPolarHBondContact ND1-CB 3.28Å; H309-S744 PolarHBondContact ND1-OG 3.48Å
310	A	93.3	Very high	93.3	Very high	56 Å²	56	53.7 Å²	53.7	46%	0.463	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-73.5	-9.6	173.7	0	0	0	0	0	113	F305 P307 N308 G615	F305-A310 HydrophobicContact CE1-CB 3.95Å; P307-A310 WeakPolarHBondContact O-CB 3.37Å; P307-A310 PolarHBondContact O-N 3.41Å; N308-A310 VanDerWaalsContact C-N 3.32Å; A310-G615 VanDerWaalsContact O-CA 3.27Å; A310-G615 WeakPolarHBondContact O-CA 3.17Å
311	Q	94.4	Very high	93.8	Very high	147 Å²	147	48.4 Å²	48.4	69%	0.687	25%	0.247	S	C	*	.	S	Bend	trans	-112	171.8	173.6	-59.9	-175.3	11	0	0	110.3	H309 Y313 N614 G615	H309-Q311 PolarHBondContact O-N 3Å; Q311-Y313 PolarHBondContact O-N 3.42Å; Q311-N614 CarbonylContact O-C 3.55Å; Q311-N614 WeakPolarHBondContact O-CA 3.47Å; Q311-G615 PolarHBondContact O-N 3.05Å; Q311-G615 VanDerWaalsContact O-N 3.14Å
312	I	96.1	Very high	94.2	Very high	74 Å²	74	46.5 Å²	46.5	38%	0.379	24%	0.238	S	C	.	.			trans	-66.9	115.6	171.4	-52.6	-54.6	0	0	0	108.3	M316 Y401 N614 C617	I312-M316 HydrophobicContact CG2-CG 3.59Å; I312-M316 HydrophobicContact CG2-SD 4.33Å; I312-Y401 HydrophobicContact CD1-CE2 3.83Å; I312-Y401 HydrophobicContact CG1-CE2 4.28Å; I312-N614 WeakPolarHBondContact CA-OD1 3.18Å; I312-N614 WeakPolarHBondContact CD1-O 3.36Å; I312-C617 HydrophobicContact CD1-CB 3.53Å
313	Y	95.8	Very high	94.5	Very high	90 Å²	90	46.5 Å²	46.5	35%	0.353	24%	0.238	S	C	.	.			trans	-132.1	-17.4	-178	79.9	-81.6	0	0	0	113	H309 Q311 P613 N614	H309-Y313 HydrophobicContact CB-CD1 4.04Å; H309-Y313 HydrophobicContact CB-CE1 3.65Å; H309-Y313 AromaticContact CD2-CD2 3.91Å; H309-Y313 AromaticContact CD2-CE1 3.86Å; H309-Y313 AromaticContact CD2-CE2 3.68Å; H309-Y313 AromaticContact CD2-CZ 3.65Å; H309-Y313 AromaticContact CE1-CZ 3.88Å; H309-Y313 AromaticContact CG-CE1 3.62Å; H309-Y313 AromaticContact CG-CZ 3.6Å; H309-Y313 AromaticContact ND1-CZ 3.74Å; H309-Y313 AromaticContact NE2-CE2 3.65Å; H309-Y313 AromaticContact NE2-CZ 3.86Å; Q311-Y313 PolarHBondContact O-N 3.42Å; Y313-P613 HydrophobicContact CE1-CB 4.15Å; Y313-N614 HydrophobicContact CD1-CB 4.35Å; Y313-N614 HydrophobicContact CE1-CB 4.15Å; Y313-N614 PolarHBondContact N-OD1 3.01Å; Y313-N614 VanDerWaalsContact N-OD1 3.07Å
314	Q	96.4	Very high	94.7	Very high	34 Å²	34	46.3 Å²	46.3	16%	0.159	24%	0.237	C	C	.	.	S	Bend	trans	-80.1	159.5	178.6	-62	-176.6	-14.4	0	0	110.5	M316 N614 L621	Q314-M316 HydrophobicContact CB-SD 4.37Å; Q314-M316 WeakPolarHBondContact O-CG 3.32Å; Q314-M316 PolarHBondContact O-N 2.9Å; Q314-M316 VanDerWaalsContact O-N 3.09Å; Q314-N614 HydrophobicContact CG-CB 4.33Å; Q314-N614 PolarHBondContact N-OD1 2.82Å; Q314-L621 HydrophobicContact CB-CB 4.34Å
315	D	95.6	Very high	94.8	Very high	53 Å²	53	46.3 Å²	46.3	28%	0.283	24%	0.237	S	C	.	.			trans	-65.6	110.7	173	179.8	0.5	0	0	0	109.2	T317 R318 Y323 L621	D315-T317 WeakPolarHBondContact OD1-CA 3.17Å; D315-T317 WeakPolarHBondContact OD1-CB 3.42Å; D315-T317 PolarHBondContact OD1-N 2.85Å; D315-T317 PolarHBondContact OD1-OG1 3.01Å; D315-R318 HydrophobicContact CB-CG 4.4Å; D315-R318 WeakPolarHBondContact OD2-CD 3.46Å; D315-R318 WeakPolarHBondContact OD2-CG 3.2Å; D315-R318 IonicContact OD2-CZ 3.55Å; D315-R318 IonicContact OD2-NE 3.24Å; D315-R318 PolarHBondContact OD2-NE 3.41Å; D315-R318 IonicContact OD2-NH2 3.53Å; D315-Y323 WeakPolarHBondContact O-CE1 3.35Å; D315-Y323 PolarHBondContact O-OH 2.92Å; D315-L621 HydrophobicContact CB-CD2 4.23Å
316	M	94.3	Very high	94.9	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.044	23%	0.234	C	C	.	.			trans	-95.6	6.4	179.4	-54.7	-54.1	-78.5	0	0	112.6	I312 Q314 Y323 Y401 L449 Q450 N614	I312-M316 HydrophobicContact CG2-CG 3.59Å; I312-M316 HydrophobicContact CG2-SD 4.33Å; Q314-M316 HydrophobicContact CB-SD 4.37Å; Q314-M316 WeakPolarHBondContact O-CG 3.32Å; Q314-M316 PolarHBondContact O-N 2.9Å; Q314-M316 VanDerWaalsContact O-N 3.09Å; M316-Y323 WeakPolarHBondContact CA-OH 3.17Å; M316-Y323 HydrophobicContact CE-CE1 4.46Å; M316-Y323 HydrophobicContact SD-CE1 3.98Å; M316-Y401 HydrophobicContact CB-CE1 3.95Å; M316-Y401 HydrophobicContact CE-CD1 3.97Å; M316-Y401 HydrophobicContact CE-CD2 4.03Å; M316-Y401 HydrophobicContact CE-CE1 3.58Å; M316-Y401 HydrophobicContact CE-CE2 3.65Å; M316-Y401 HydrophobicContact CE-CG 4.18Å; M316-Y401 VanDerWaalsContact CE-CZ 3.42Å; M316-Y401 HydrophobicContact CG-CE1 4.19Å; M316-Y401 WeakPolarHBondContact CG-OH 3.49Å; M316-L449 HydrophobicContact CE-CD2 3.42Å; M316-L449 VanDerWaalsContact CE-CD2 3.42Å; M316-L449 HydrophobicContact SD-CD2 4.41Å; M316-Q450 WeakPolarHBondContact O-CB 3.45Å; M316-Q450 PolarHBondContact O-N 2.87Å; M316-Q450 VanDerWaalsContact O-N 3.09Å; M316-N614 PolarHBondContact SD-ND2 3.35Å
317	T	91.1	Very high	95	Very high	81 Å²	81	44 Å²	44	50%	0.497	23%	0.226	S	C	.	.	S	Bend	trans	-98.4	9.5	-179.7	72.5	0	0	0	0	112.5	D315 F448	D315-T317 WeakPolarHBondContact OD1-CA 3.17Å; D315-T317 WeakPolarHBondContact OD1-CB 3.42Å; D315-T317 PolarHBondContact OD1-N 2.85Å; D315-T317 PolarHBondContact OD1-OG1 3.01Å; T317-F448 WeakPolarHBondContact O-CD1 3.45Å; T317-F448 WeakPolarHBondContact O-CE1 3.28Å; T317-F448 WeakPolarHBondContact O-CG 3.02Å
318	R	91	Very high	95.3	Very high	122 Å²	122	42 Å²	42	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	-86.6	165.7	176.4	-60.6	-65.3	-177.9	158.4	0.8	111.3	D315 H322 Y323 F448 L449 L621	D315-R318 HydrophobicContact CB-CG 4.4Å; D315-R318 WeakPolarHBondContact OD2-CD 3.46Å; D315-R318 WeakPolarHBondContact OD2-CG 3.2Å; D315-R318 IonicContact OD2-CZ 3.55Å; D315-R318 IonicContact OD2-NE 3.24Å; D315-R318 PolarHBondContact OD2-NE 3.41Å; D315-R318 IonicContact OD2-NH2 3.53Å; R318-H322 HydrophobicContact CB-CB 3.97Å; R318-Y323 HydrophobicContact CB-CE2 3.87Å; R318-Y323 VanDerWaalsContact CB-OH 3.31Å; R318-Y323 WeakPolarHBondContact CB-OH 3.35Å; R318-Y323 PolarHBondContact N-OH 3.27Å; R318-Y323 WeakPolarHBondContact O-CE2 3.31Å; R318-F448 WeakPolarHBondContact O-CA 3.42Å; R318-L449 PolarHBondContact O-N 3.25Å; R318-L621 HydrophobicContact CB-CD1 4.05Å; R318-L621 HydrophobicContact CG-CD1 3.96Å
319	P	90.7	Very high	95.5	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.045	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-59.8	151.3	176.4	-29.6	41.7	0	0	0	112.9	T321 H322 Y323 S446 L447 F448	P319-T321 PolarHBondContact O-N 3.41Å; P319-T321 VanDerWaalsContact O-N 3.11Å; P319-H322 WeakPolarHBondContact O-CB 3.32Å; P319-H322 PolarHBondContact O-N 3.38Å; P319-Y323 WeakPolarHBondContact O-CD2 3.3Å; P319-Y323 WeakPolarHBondContact O-CE2 3.33Å; P319-S446 WeakPolarHBondContact CA-O 3.19Å; P319-S446 VanDerWaalsContact CB-CB 3.49Å; P319-S446 WeakPolarHBondContact CB-O 3.31Å; P319-S446 WeakPolarHBondContact CG-OG 3.21Å; P319-L447 CarbonylContact C-O 3.13Å; P319-L447 WeakPolarHBondContact CA-O 3.4Å; P319-F448 HydrophobicContact CG-CD1 4.26Å; P319-F448 HydrophobicContact CG-CE1 4.12Å
320	L	91.7	Very high	95.6	Very high	7 Å²	7	36 Å²	36	4%	0.037	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-54.1	-33.7	175.8	-174.7	60.3	0	0	0	112.5	H322 Y323 I325 L447 L449 L452 L565 Y619	L320-H322 PolarHBondContact O-N 2.9Å; L320-Y323 PolarHBondContact O-N 2.96Å; L320-I325 HydrophobicContact CD1-CD1 3.86Å; L320-I325 HydrophobicContact CG-CD1 4.3Å; L320-L447 PolarHBondContact N-O 3.38Å; L320-L449 HydrophobicContact CD1-CD1 3.74Å; L320-L452 HydrophobicContact CD2-CD1 4.33Å; L320-L565 HydrophobicContact CD2-CD1 3.88Å; L320-L565 HydrophobicContact CG-CD1 4.36Å; L320-L565 HydrophobicContact CG-CD2 4.26Å; L320-Y619 HydrophobicContact CD1-CD1 4.46Å; L320-Y619 HydrophobicContact CD1-CE1 3.58Å
321	T	94.3	Very high	95.8	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.104	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-70.2	-4.4	175.8	57.3	0	0	0	0	113.9	P319 V562 L565 H591 K622	P319-T321 PolarHBondContact O-N 3.41Å; P319-T321 VanDerWaalsContact O-N 3.11Å; T321-V562 WeakPolarHBondContact CB-O 3.49Å; T321-V562 PolarHBondContact OG1-O 3.38Å; T321-L565 HydrophobicContact CG2-CD2 3.94Å; T321-L565 HydrophobicContact CG2-CG 4.15Å; T321-H591 VanDerWaalsContact CA-NE2 3.32Å; T321-H591 WeakPolarHBondContact CA-NE2 3.5Å; T321-H591 PolarHBondContact O-CD2 3.03Å; T321-H591 PolarHBondContact O-NE2 2.81Å; T321-K622 WeakPolarHBondContact O-CE 3.49Å; T321-K622 PolarHBondContact O-NZ 3.48Å
322	H	95.9	Very high	95.8	Very high	28 Å²	28	26.5 Å²	26.5	13%	0.13	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-94.8	1.6	176.7	-71.2	-156.4	0	0	0	112.5	R318 P319 L320 L621 K622	R318-H322 HydrophobicContact CB-CB 3.97Å; P319-H322 WeakPolarHBondContact O-CB 3.32Å; P319-H322 PolarHBondContact O-N 3.38Å; L320-H322 PolarHBondContact O-N 2.9Å; H322-L621 HydrophobicContact CB-CD1 4.01Å; H322-K622 WeakPolarHBondContact O-CB 3.32Å; H322-K622 WeakPolarHBondContact O-CG 3.37Å; H322-K622 PolarHBondContact O-N 2.82Å
323	Y	97.9	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.8	-177.6	-56.7	-94.4	0	0	0	112.5	D315 M316 R318 P319 L320 L449 H591 Y619 I620 L621	D315-Y323 WeakPolarHBondContact O-CE1 3.35Å; D315-Y323 PolarHBondContact O-OH 2.92Å; M316-Y323 WeakPolarHBondContact CA-OH 3.17Å; M316-Y323 HydrophobicContact CE-CE1 4.46Å; M316-Y323 HydrophobicContact SD-CE1 3.98Å; R318-Y323 HydrophobicContact CB-CE2 3.87Å; R318-Y323 VanDerWaalsContact CB-OH 3.31Å; R318-Y323 WeakPolarHBondContact CB-OH 3.35Å; R318-Y323 PolarHBondContact N-OH 3.27Å; R318-Y323 WeakPolarHBondContact O-CE2 3.31Å; P319-Y323 WeakPolarHBondContact O-CD2 3.3Å; P319-Y323 WeakPolarHBondContact O-CE2 3.33Å; L320-Y323 PolarHBondContact O-N 2.96Å; Y323-L449 HydrophobicContact CD1-CD2 3.97Å; Y323-L449 HydrophobicContact CD2-CB 4.3Å; Y323-L449 HydrophobicContact CD2-CD2 3.92Å; Y323-L449 HydrophobicContact CE1-CD2 3.81Å; Y323-L449 HydrophobicContact CE2-CB 3.72Å; Y323-L449 HydrophobicContact CE2-CD2 3.73Å; Y323-L449 HydrophobicContact CE2-CG 4.33Å; Y323-L449 HydrophobicContact CG-CD2 4.04Å; Y323-H591 PolarHBondContact O-CD2 3.3Å; Y323-H591 VanDerWaalsContact O-CD2 3.31Å; Y323-Y619 HydrophobicContact CG-CD1 4.29Å; Y323-I620 CarbonylContact C-O 3.53Å; Y323-I620 VanDerWaalsContact CA-O 3.24Å; Y323-I620 WeakPolarHBondContact CA-O 3.31Å; Y323-L621 HydrophobicContact CD1-CB 4.08Å; Y323-L621 HydrophobicContact CD1-CD1 4.16Å; Y323-L621 HydrophobicContact CE1-CB 3.98Å; Y323-L621 HydrophobicContact CE1-CD1 3.75Å; Y323-L621 HydrophobicContact CE1-CG 4.46Å; Y323-L621 HydrophobicContact CE2-CD1 4.49Å
324	F	98.7	Very high	95.2	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.9	154.5	-59	-56.7	0	0	0	109.2	W586 C590 F611 Y619 I620 K622 M626 L716	F324-W586 HydrophobicContact CD1-CB 4.44Å; F324-W586 AromaticContact CD1-CD1 3.59Å; F324-W586 HydrophobicContact CD1-CG 4.23Å; F324-W586 HydrophobicContact CE1-CB 3.89Å; F324-W586 AromaticContact CE1-CD1 3.88Å; F324-W586 HydrophobicContact CE1-CG 4.16Å; F324-W586 WeakPolarHBondContact CE1-O 3.41Å; F324-W586 HydrophobicContact CZ-CB 4.05Å; F324-W586 WeakPolarHBondContact CZ-O 3.37Å; F324-C590 WeakPolarHBondContact CD1-O 3.47Å; F324-F611 HydrophobicContact CB-CE1 4.22Å; F324-F611 HydrophobicContact CB-CZ 4.1Å; F324-Y619 WeakPolarHBondContact O-CA 3.5Å; F324-I620 HydrophobicContact CB-CB 4.41Å; F324-I620 HydrophobicContact CD2-CG2 4.41Å; F324-I620 PolarHBondContact N-O 3.25Å; F324-I620 PolarHBondContact O-N 3Å; F324-K622 HydrophobicContact CD1-CD 4.1Å; F324-K622 HydrophobicContact CD1-CG 3.94Å; F324-K622 HydrophobicContact CD2-CG 3.95Å; F324-K622 HydrophobicContact CE1-CD 3.76Å; F324-K622 HydrophobicContact CE1-CG 3.77Å; F324-K622 HydrophobicContact CE2-CB 4.37Å; F324-K622 HydrophobicContact CE2-CG 3.78Å; F324-K622 HydrophobicContact CG-CG 4.04Å; F324-K622 HydrophobicContact CZ-CB 4.44Å; F324-K622 HydrophobicContact CZ-CD 4.06Å; F324-K622 HydrophobicContact CZ-CG 3.69Å; F324-M626 HydrophobicContact CZ-SD 4.4Å; F324-L716 HydrophobicContact CZ-CD2 4.38Å
325	I	98.7	Very high	94.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.8	-172.6	-49.1	-178.9	0	0	0	109.3	L320 S327 R356 I404 L565 H591 M592 Y619	L320-I325 HydrophobicContact CD1-CD1 3.86Å; L320-I325 HydrophobicContact CG-CD1 4.3Å; I325-S327 PolarHBondContact O-N 2.84Å; I325-S327 PolarHBondContact O-OG 2.87Å; I325-R356 HydrophobicContact CG2-CB 3.77Å; I325-I404 HydrophobicContact CD1-CD1 4.23Å; I325-L565 HydrophobicContact CD1-CD2 4.5Å; I325-H591 HydrophobicContact CD1-CB 4.22Å; I325-H591 HydrophobicContact CG1-CB 4.31Å; I325-H591 PolarHBondContact N-O 2.97Å; I325-M592 HydrophobicContact CB-CG 4.17Å; I325-M592 HydrophobicContact CD1-CG 4.21Å; I325-M592 HydrophobicContact CG2-CG 4.47Å; I325-Y619 HydrophobicContact CB-CE1 4.23Å; I325-Y619 HydrophobicContact CD1-CE1 3.81Å; I325-Y619 HydrophobicContact CG1-CD1 3.95Å; I325-Y619 HydrophobicContact CG1-CE1 3.61Å; I325-Y619 HydrophobicContact CG2-CD1 4.46Å; I325-Y619 HydrophobicContact CG2-CE1 3.82Å
326	S	98.8	Very high	94.3	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	120.5	178.6	-174	0	0	0	0	110	C355 R356 C357 F611 G618	S326-C355 PolarHBondContact O-SG 2.96Å; S326-C355 VanDerWaalsContact O-SG 3.39Å; S326-R356 PolarHBondContact O-N 2.8Å; S326-C357 PolarHBondContact O-N 3.33Å; S326-C357 VanDerWaalsContact O-N 3.09Å; S326-F611 VanDerWaalsContact CA-CZ 3.43Å; S326-G618 PolarHBondContact N-O 3.34Å
327	S	98.8	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.8	-164.8	-60.4	0	0	0	0	112.2	I325 C357 M592 A594 L595 F597	I325-S327 PolarHBondContact O-N 2.84Å; I325-S327 PolarHBondContact O-OG 2.87Å; S327-C357 WeakPolarHBondContact CA-O 3.12Å; S327-C357 WeakPolarHBondContact OG-CB 3.34Å; S327-M592 WeakPolarHBondContact OG-CA 3.42Å; S327-M592 WeakPolarHBondContact OG-CB 3.41Å; S327-A594 WeakPolarHBondContact O-CA 3.39Å; S327-L595 PolarHBondContact O-N 2.78Å; S327-L595 VanDerWaalsContact O-N 3.11Å; S327-F597 VanDerWaalsContact O-CE2 3.29Å; S327-F597 WeakPolarHBondContact O-CE2 3.28Å
328	S	98.6	Very high	93.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.8	177.6	173.1	0	0	0	0	110.6	T331 C355 C357 L595	S328-T331 VanDerWaalsContact CB-OG1 3.28Å; S328-T331 WeakPolarHBondContact CB-OG1 3.5Å; S328-T331 WeakPolarHBondContact OG-CB 3.31Å; S328-T331 PolarHBondContact OG-OG1 2.9Å; S328-C355 PolarHBondContact N-SG 2.65Å; S328-C357 PolarHBondContact N-O 2.74Å; S328-L595 WeakPolarHBondContact CA-O 3.28Å
329	H	98	Very high	92.7	Very high	17 Å²	17	21.8 Å²	21.8	8%	0.079	12%	0.116	C	C	.	.	S	Bend	trans	-103	140.2	171.4	176.1	-104.2	0	0	0	109.9	T331 E359 P570 A594 L595 N596	H329-T331 PolarHBondContact O-N 3.39Å; H329-T331 VanDerWaalsContact O-N 3.15Å; H329-E359 WeakPolarHBondContact CA-OE2 3.28Å; H329-E359 IonicContact CD2-OE2 3.97Å; H329-E359 PolarHBondContact CD2-OE2 3.41Å; H329-E359 IonicContact CG-OE2 3.62Å; H329-E359 IonicContact NE2-OE2 3.07Å; H329-P570 HydrophobicContact CB-CG 4.19Å; H329-A594 HydrophobicContact CB-CB 3.92Å; H329-L595 PolarHBondContact N-O 2.91Å; H329-N596 PolarHBondContact ND1-OD1 2.73Å
330	N	97.1	Very high	92.4	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.032	12%	0.116	C	C	.	.	S	Bend	trans	40	52.7	-177.7	-71.1	-6.4	0	0	0	112.5	Y332 L333 Q337 E359 D361	N330-Y332 HydrophobicContact CB-CE1 4.03Å; N330-Y332 PolarHBondContact O-N 2.84Å; N330-L333 HydrophobicContact CB-CD1 3.71Å; N330-L333 HydrophobicContact CB-CG 4.11Å; N330-L333 PolarHBondContact O-N 2.86Å; N330-Q337 PolarHBondContact ND2-OE1 2.9Å; N330-E359 PolarHBondContact N-OE2 3.5Å; N330-E359 PolarHBondContact OD1-OE2 3.26Å; N330-D361 PolarHBondContact OD1-OD2 3.31Å
331	T	97.3	Very high	92.1	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.025	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27	-167.2	-51.7	0	0	0	0	113.3	S328 H329 L333 S346 Y347 A350 V358 E359	S328-T331 VanDerWaalsContact CB-OG1 3.28Å; S328-T331 WeakPolarHBondContact CB-OG1 3.5Å; S328-T331 WeakPolarHBondContact OG-CB 3.31Å; S328-T331 PolarHBondContact OG-OG1 2.9Å; H329-T331 PolarHBondContact O-N 3.39Å; H329-T331 VanDerWaalsContact O-N 3.15Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L333 PolarHBondContact O-N 2.81Å; T331-S346 WeakPolarHBondContact O-CB 3.41Å; T331-Y347 HydrophobicContact CG2-CD1 3.57Å; T331-Y347 HydrophobicContact CG2-CE1 3.81Å; T331-Y347 HydrophobicContact CG2-CG 4.01Å; T331-A350 HydrophobicContact CG2-CB 4.09Å; T331-V358 HydrophobicContact CG2-CB 4.15Å; T331-V358 HydrophobicContact CG2-CG1 4.04Å; T331-E359 PolarHBondContact OG1-N 3.04Å
332	Y	94.8	Very high	91.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.5	179.2	53.7	-88.6	0	0	0	113.7	N330 S342 S343 D361 I372 H374	N330-Y332 HydrophobicContact CB-CE1 4.03Å; N330-Y332 PolarHBondContact O-N 2.84Å; Y332-S342 WeakPolarHBondContact CD2-OG 2.89Å; Y332-S342 CarbonylContact O-C 3.48Å; Y332-S342 VanDerWaalsContact O-CA 3.26Å; Y332-S342 WeakPolarHBondContact O-CA 3.36Å; Y332-S343 PolarHBondContact O-N 2.72Å; Y332-D361 HydrophobicContact CE1-CB 3.72Å; Y332-D361 VanDerWaalsContact OH-CG 3.31Å; Y332-D361 PolarHBondContact OH-OD2 3.09Å; Y332-I372 HydrophobicContact CD1-CG2 3.55Å; Y332-I372 HydrophobicContact CD2-CG2 4.23Å; Y332-I372 HydrophobicContact CE1-CG2 4.18Å; Y332-I372 HydrophobicContact CG-CG2 3.6Å; Y332-H374 HydrophobicContact CE2-CB 4.11Å; Y332-H374 VanDerWaalsContact OH-CA 3.31Å; Y332-H374 WeakPolarHBondContact OH-CA 3.48Å; Y332-H374 WeakPolarHBondContact OH-CB 3.27Å; Y332-H374 PolarHBondContact OH-N 3.47Å
333	L	92.4	Very high	91.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-73.9	141.9	-174.6	-64.2	178	0	0	0	112.7	N330 T331 S340 T379	N330-L333 HydrophobicContact CB-CD1 3.71Å; N330-L333 HydrophobicContact CB-CG 4.11Å; N330-L333 PolarHBondContact O-N 2.86Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L333 PolarHBondContact O-N 2.81Å; L333-S340 WeakPolarHBondContact CD2-OG 3.29Å; L333-T379 HydrophobicContact CD2-CG2 3.77Å
334	T	87.2	Confident	91.3	Very high	51 Å²	51	22.7 Å²	22.7	31%	0.313	13%	0.13	S	C	.	.	S	Bend	trans	-100	-17.2	178.4	56.2	0	0	0	0	113.8	A341	T334-A341 WeakPolarHBondContact CB-O 3.32Å; T334-A341 WeakPolarHBondContact CG2-O 3.19Å; T334-A341 PolarHBondContact N-O 3.36Å; T334-A341 PolarHBondContact OG1-N 2.76Å; T334-A341 PolarHBondContact OG1-O 2.89Å
335	K	87.3	Confident	90.8	Very high	134 Å²	134	25.1 Å²	25.1	58%	0.583	14%	0.141	S	C	*	.	S	Bend	trans	-148.5	-117.5	179.2	-60.2	-174.8	175.9	-172.6	0	112.3	S577 Q598	K335-S577 WeakPolarHBondContact O-CB 3.41Å; K335-S577 PolarHBondContact O-OG 3.25Å; K335-Q598 WeakPolarHBondContact O-CG 3.34Å; K335-Q598 PolarHBondContact O-NE2 2.82Å
336	D	85.4	Confident	90.5	Very high	25 Å²	25	26.1 Å²	26.1	13%	0.134	15%	0.148	C	C	.	.			trans	-74.4	167.1	-178.5	62.8	99	0	0	0	113.3	V338 T339 S340 S577	D336-V338 VanDerWaalsContact C-N 3.34Å; D336-V338 PolarHBondContact O-N 2.94Å; D336-V338 PolarHBondContact OD1-N 2.68Å; D336-V338 VanDerWaalsContact OD1-N 3.12Å; D336-T339 PolarHBondContact OD1-N 3.43Å; D336-T339 PolarHBondContact OD1-OG1 2.92Å; D336-T339 PolarHBondContact OD2-OG1 3.04Å; D336-S340 WeakPolarHBondContact O-CB 3.29Å; D336-S340 PolarHBondContact O-OG 3.2Å; D336-S340 PolarHBondContact OD1-N 3.11Å; D336-S577 WeakPolarHBondContact CA-OG 3.48Å
337	Q	85.8	Confident	90.4	Very high	13 Å²	13	26 Å²	26	6%	0.061	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.3	-176	-59.1	-66.2	-40.6	0	0	113.4	N330 H374 L575 S577 N596	N330-Q337 PolarHBondContact ND2-OE1 2.9Å; Q337-H374 PolarHBondContact O-ND1 3.21Å; Q337-L575 PolarHBondContact N-O 2.93Å; Q337-S577 PolarHBondContact NE2-OG 2.91Å; Q337-N596 PolarHBondContact NE2-OD1 3.27Å
338	V	77.9	Confident	90.1	Very high	48 Å²	48	26.2 Å²	26.2	29%	0.291	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-39.3	-166.3	-175.1	0	0	0	0	113.1	D336 F378 T379 L575	D336-V338 VanDerWaalsContact C-N 3.34Å; D336-V338 PolarHBondContact O-N 2.94Å; D336-V338 PolarHBondContact OD1-N 2.68Å; D336-V338 VanDerWaalsContact OD1-N 3.12Å; V338-F378 CarbonylContact O-C 3.5Å; V338-F378 WeakPolarHBondContact O-CA 3.39Å; V338-F378 WeakPolarHBondContact O-CB 3.48Å; V338-F378 PolarHBondContact O-N 3.35Å; V338-T379 PolarHBondContact O-N 2.82Å; V338-L575 HydrophobicContact CG2-CB 4.38Å; V338-L575 HydrophobicContact CG2-CD2 4.1Å
339	T	79.1	Confident	89.8	Confident	91 Å²	91	30.6 Å²	30.6	56%	0.558	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-2.1	-168.9	63.5	0	0	0	0	113.6	D336 F378	D336-T339 PolarHBondContact OD1-N 3.43Å; D336-T339 PolarHBondContact OD1-OG1 2.92Å; D336-T339 PolarHBondContact OD2-OG1 3.04Å; T339-F378 HydrophobicContact CG2-CB 4.47Å
340	S	84.5	Confident	89.7	Confident	5 Å²	5	29.8 Å²	29.8	4%	0.035	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-73.6	161.1	-173.6	80.7	0	0	0	0	113.7	L333 D336 T379 S380	L333-S340 WeakPolarHBondContact CD2-OG 3.29Å; D336-S340 WeakPolarHBondContact O-CB 3.29Å; D336-S340 PolarHBondContact O-OG 3.2Å; D336-S340 PolarHBondContact OD1-N 3.11Å; S340-T379 WeakPolarHBondContact O-CA 3.17Å; S340-T379 WeakPolarHBondContact O-CB 3.18Å; S340-S380 PolarHBondContact O-N 3.4Å
341	A	86.1	Confident	89.7	Confident	46 Å²	46	29.5 Å²	29.5	38%	0.38	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-78.1	142	174	0	0	0	0	0	110.8	T334 S380	T334-A341 WeakPolarHBondContact CB-O 3.32Å; T334-A341 WeakPolarHBondContact CG2-O 3.19Å; T334-A341 PolarHBondContact N-O 3.36Å; T334-A341 PolarHBondContact OG1-N 2.76Å; T334-A341 PolarHBondContact OG1-O 2.89Å; A341-S380 VanDerWaalsContact CA-OG 3.27Å; A341-S380 WeakPolarHBondContact CA-OG 3.37Å
342	S	90.5	Very high	89.5	Confident	12 Å²	12	32.4 Å²	32.4	8%	0.084	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-91.5	135.4	165.5	-55.2	0	0	0	0	110.3	Y332 S380	Y332-S342 WeakPolarHBondContact CD2-OG 2.89Å; Y332-S342 CarbonylContact O-C 3.48Å; Y332-S342 VanDerWaalsContact O-CA 3.26Å; Y332-S342 WeakPolarHBondContact O-CA 3.36Å; S342-S380 WeakPolarHBondContact CB-O 3.41Å; S342-S380 PolarHBondContact N-OG 3.49Å; S342-S380 PolarHBondContact OG-O 3.25Å
343	S	90.1	Very high	89.4	Confident	15 Å²	15	36 Å²	36	11%	0.105	19%	0.192	C	C	.	.			trans	-146.1	149.7	-176.9	175.9	0	0	0	0	113	D102 Y332 E345	D102-S343 PolarHBondContact OD2-OG 3.38Å; Y332-S343 PolarHBondContact O-N 2.72Å; S343-E345 VanDerWaalsContact C-N 3.26Å; S343-E345 PolarHBondContact O-N 3.24Å; S343-E345 PolarHBondContact OG-N 3.4Å; S343-E345 VanDerWaalsContact OG-N 3.07Å
344	T	91.3	Very high	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-27.7	170.2	63.9	0	0	0	0	112.3	D102 R105 S346 Y347 I348 V382 E386 V387	D102-T344 PolarHBondContact OD1-OG1 2.67Å; R105-T344 PolarHBondContact NH2-OG1 3.19Å; T344-S346 VanDerWaalsContact C-N 3.27Å; T344-S346 PolarHBondContact O-N 2.91Å; T344-Y347 WeakPolarHBondContact O-CB 3.24Å; T344-Y347 PolarHBondContact O-N 2.81Å; T344-I348 PolarHBondContact O-N 3.41Å; T344-V382 HydrophobicContact CG2-CG2 3.64Å; T344-E386 HydrophobicContact CG2-CB 4.02Å; T344-V387 HydrophobicContact CG2-CG2 4.02Å
345	E	88	Confident	90.1	Very high	54 Å²	54	33.6 Å²	33.6	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-66.3	-30.1	-177.2	-170.3	61.2	-146.7	0	0	112.2	R96 S343 Y347 I348 R349	R96-E345 IonicContact CZ-OE1 2.65Å; R96-E345 IonicContact CZ-OE2 3.56Å; R96-E345 IonicContact NH1-OE1 3.59Å; R96-E345 IonicContact NH1-OE2 3.51Å; R96-E345 PolarHBondContact NH1-OE2 2.56Å; R96-E345 IonicContact NH2-OE1 2.73Å; R96-E345 PolarHBondContact NH2-OE1 3.36Å; R96-E345 IonicContact NH2-OE2 3.75Å; R96-E345 PolarHBondContact NH2-OE2 3.18Å; S343-E345 VanDerWaalsContact C-N 3.26Å; S343-E345 PolarHBondContact O-N 3.24Å; S343-E345 PolarHBondContact OG-N 3.4Å; S343-E345 VanDerWaalsContact OG-N 3.07Å; E345-Y347 VanDerWaalsContact C-N 3.3Å; E345-Y347 PolarHBondContact O-N 2.87Å; E345-I348 PolarHBondContact O-N 3.19Å; E345-R349 WeakPolarHBondContact O-CB 3.47Å; E345-R349 PolarHBondContact O-N 3.41Å
346	S	91.3	Very high	90.7	Very high	22 Å²	22	27.2 Å²	27.2	15%	0.154	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-37.7	176.7	-55.7	0	0	0	0	111.9	T331 T344 A350	T331-S346 WeakPolarHBondContact O-CB 3.41Å; T344-S346 VanDerWaalsContact C-N 3.27Å; T344-S346 PolarHBondContact O-N 2.91Å; S346-A350 WeakPolarHBondContact O-CB 3.36Å; S346-A350 PolarHBondContact O-N 2.82Å
347	Y	96.9	Very high	91.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-45.7	171.9	-68.2	-86.3	0	0	0	111.8	T331 T344 E345 R349 A350 L351 V358 E359 L360 V387 I391	T331-Y347 HydrophobicContact CG2-CD1 3.57Å; T331-Y347 HydrophobicContact CG2-CE1 3.81Å; T331-Y347 HydrophobicContact CG2-CG 4.01Å; T344-Y347 WeakPolarHBondContact O-CB 3.24Å; T344-Y347 PolarHBondContact O-N 2.81Å; E345-Y347 VanDerWaalsContact C-N 3.3Å; E345-Y347 PolarHBondContact O-N 2.87Å; Y347-R349 VanDerWaalsContact C-N 3.31Å; Y347-R349 PolarHBondContact O-N 3.01Å; Y347-A350 PolarHBondContact O-N 3.03Å; Y347-L351 WeakPolarHBondContact O-CB 3.22Å; Y347-L351 WeakPolarHBondContact O-CG 3.46Å; Y347-L351 PolarHBondContact O-N 2.94Å; Y347-V358 HydrophobicContact CD1-CB 4.1Å; Y347-V358 HydrophobicContact CD1-CG1 4.5Å; Y347-V358 HydrophobicContact CD1-CG2 4.18Å; Y347-V358 HydrophobicContact CE1-CB 4.18Å; Y347-V358 HydrophobicContact CE1-CG2 4.3Å; Y347-E359 WeakPolarHBondContact CE1-O 3.11Å; Y347-E359 PolarHBondContact OH-O 2.81Å; Y347-L360 HydrophobicContact CE1-CD1 4.42Å; Y347-L360 HydrophobicContact CE1-CG 4.11Å; Y347-V387 HydrophobicContact CD1-CG1 4.18Å; Y347-V387 HydrophobicContact CD2-CG1 3.76Å; Y347-V387 HydrophobicContact CD2-CG2 4.16Å; Y347-V387 HydrophobicContact CE1-CG1 3.94Å; Y347-V387 HydrophobicContact CE2-CB 4.28Å; Y347-V387 HydrophobicContact CE2-CG1 3.46Å; Y347-V387 VanDerWaalsContact CE2-CG1 3.46Å; Y347-V387 HydrophobicContact CE2-CG2 3.77Å; Y347-V387 HydrophobicContact CG-CG1 4.1Å; Y347-I391 HydrophobicContact CD1-CD1 4.06Å; Y347-I391 HydrophobicContact CD1-CG1 4.31Å; Y347-I391 HydrophobicContact CE1-CD1 4.37Å
348	I	93.6	Very high	91.9	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-46.7	179.1	-63.3	173.1	0	0	0	110.2	T344 E345 L351 N352 A390 Y394	T344-I348 PolarHBondContact O-N 3.41Å; E345-I348 PolarHBondContact O-N 3.19Å; I348-L351 PolarHBondContact O-N 3.11Å; I348-N352 WeakPolarHBondContact CG2-ND2 3.47Å; I348-N352 WeakPolarHBondContact O-CB 3.24Å; I348-N352 VanDerWaalsContact O-CG 3.28Å; I348-N352 PolarHBondContact O-N 2.96Å; I348-N352 PolarHBondContact O-ND2 3.07Å; I348-A390 HydrophobicContact CD1-CB 4.35Å; I348-A390 HydrophobicContact CG1-CB 4.2Å; I348-Y394 HydrophobicContact CB-CD2 4.45Å; I348-Y394 HydrophobicContact CB-CG 4.48Å; I348-Y394 HydrophobicContact CD1-CD2 4.08Å; I348-Y394 HydrophobicContact CD1-CE2 3.71Å; I348-Y394 HydrophobicContact CG1-CD2 3.72Å; I348-Y394 HydrophobicContact CG1-CE2 3.87Å; I348-Y394 HydrophobicContact CG1-CG 4.2Å; I348-Y394 HydrophobicContact CG2-CD1 3.68Å; I348-Y394 HydrophobicContact CG2-CD2 4.13Å; I348-Y394 HydrophobicContact CG2-CE1 3.66Å; I348-Y394 HydrophobicContact CG2-CE2 4.1Å; I348-Y394 HydrophobicContact CG2-CG 3.94Å
349	R	91.1	Very high	92.9	Very high	92 Å²	92	23.2 Å²	23.2	35%	0.347	13%	0.127	S	C	.	.	H	α-helix	trans	-61.2	-49.2	178.3	-174.6	179.5	-175.2	137.5	5.6	112	G123 E345 Y347 L351 N352 Q353	G123-R349 PolarHBondContact O-NH1 2.79Å; G123-R349 PolarHBondContact O-NH2 3.39Å; E345-R349 WeakPolarHBondContact O-CB 3.47Å; E345-R349 PolarHBondContact O-N 3.41Å; Y347-R349 VanDerWaalsContact C-N 3.31Å; Y347-R349 PolarHBondContact O-N 3.01Å; R349-L351 PolarHBondContact O-N 3.46Å; R349-N352 PolarHBondContact O-N 3.22Å; R349-Q353 VanDerWaalsContact O-CG 3.32Å; R349-Q353 WeakPolarHBondContact O-CG 3.27Å; R349-Q353 PolarHBondContact O-N 2.81Å
350	A	96.1	Very high	93.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-45.9	178.6	0	0	0	0	0	111.4	T331 S346 Y347 Q353 G354 C355 F597	T331-A350 HydrophobicContact CG2-CB 4.09Å; S346-A350 WeakPolarHBondContact O-CB 3.36Å; S346-A350 PolarHBondContact O-N 2.82Å; Y347-A350 PolarHBondContact O-N 3.03Å; A350-Q353 PolarHBondContact O-N 2.75Å; A350-G354 PolarHBondContact O-N 3.19Å; A350-C355 HydrophobicContact CB-CB 3.96Å; A350-C355 WeakPolarHBondContact O-CB 3.36Å; A350-C355 PolarHBondContact O-N 3.24Å; A350-F597 HydrophobicContact CB-CD1 3.97Å; A350-F597 HydrophobicContact CB-CE1 4.28Å
351	L	97.6	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-40.8	179.5	-67.7	171.7	0	0	0	112.5	Y347 I348 R349 Q353 G354 V358 I391 A398 L403	Y347-L351 WeakPolarHBondContact O-CB 3.22Å; Y347-L351 WeakPolarHBondContact O-CG 3.46Å; Y347-L351 PolarHBondContact O-N 2.94Å; I348-L351 PolarHBondContact O-N 3.11Å; R349-L351 PolarHBondContact O-N 3.46Å; L351-Q353 VanDerWaalsContact C-N 3.25Å; L351-Q353 PolarHBondContact O-N 2.81Å; L351-G354 PolarHBondContact O-N 3.36Å; L351-V358 HydrophobicContact CD2-CG1 4.33Å; L351-I391 HydrophobicContact CD1-CG1 4.37Å; L351-A398 WeakPolarHBondContact O-CB 3.25Å; L351-L403 HydrophobicContact CD2-CD1 3.58Å; L351-L403 HydrophobicContact CD2-CD2 3.82Å; L351-L403 HydrophobicContact CD2-CG 4.36Å
352	N	93.4	Very high	94.9	Very high	65 Å²	65	16.6 Å²	16.6	35%	0.348	8%	0.082	S	C	.	.	H	α-helix	trans	-67.7	-25.8	176.2	-74.1	-21.8	0	0	0	112.8	I348 R349 G354	I348-N352 WeakPolarHBondContact CG2-ND2 3.47Å; I348-N352 WeakPolarHBondContact O-CB 3.24Å; I348-N352 VanDerWaalsContact O-CG 3.28Å; I348-N352 PolarHBondContact O-N 2.96Å; I348-N352 PolarHBondContact O-ND2 3.07Å; R349-N352 PolarHBondContact O-N 3.22Å; N352-G354 PolarHBondContact O-N 3.33Å
353	Q	92.4	Very high	95.2	Very high	75 Å²	75	17.6 Å²	17.6	35%	0.35	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.3	170.7	-69.5	179.2	-1.1	0	0	113.1	R349 A350 L351	R349-Q353 VanDerWaalsContact O-CG 3.32Å; R349-Q353 WeakPolarHBondContact O-CG 3.27Å; R349-Q353 PolarHBondContact O-N 2.81Å; A350-Q353 PolarHBondContact O-N 2.75Å; L351-Q353 VanDerWaalsContact C-N 3.25Å; L351-Q353 PolarHBondContact O-N 2.81Å
354	G	96	Very high	95.4	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	8.8	178.4	0	0	0	0	0	114.4	A350 L351 N352 R356 G618	A350-G354 PolarHBondContact O-N 3.19Å; L351-G354 PolarHBondContact O-N 3.36Å; N352-G354 PolarHBondContact O-N 3.33Å; G354-R356 WeakPolarHBondContact O-CG 3.32Å; G354-R356 PolarHBondContact O-N 2.77Å; G354-R356 PolarHBondContact O-NE 3Å; G354-G618 WeakPolarHBondContact O-CA 3.22Å
355	C	98.4	Very high	95.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.			trans	-60.1	135.8	176.1	-171.6	0	0	0	0	111.4	S326 S328 A350 C357 F597	S326-C355 PolarHBondContact O-SG 2.96Å; S326-C355 VanDerWaalsContact O-SG 3.39Å; S328-C355 PolarHBondContact N-SG 2.65Å; A350-C355 HydrophobicContact CB-CB 3.96Å; A350-C355 WeakPolarHBondContact O-CB 3.36Å; A350-C355 PolarHBondContact O-N 3.24Å; C355-C357 PolarHBondContact SG-O 2.78Å; C355-F597 HydrophobicContact CB-CE1 3.82Å; C355-F597 HydrophobicContact CB-CZ 3.94Å
356	R	98.6	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.			trans	-121.9	2.6	-173.4	-61.4	-66.3	86.1	-174.2	-1	114.2	I325 S326 G354 A395 S399 Y401 P402 I404 Y619	I325-R356 HydrophobicContact CG2-CB 3.77Å; S326-R356 PolarHBondContact O-N 2.8Å; G354-R356 WeakPolarHBondContact O-CG 3.32Å; G354-R356 PolarHBondContact O-N 2.77Å; G354-R356 PolarHBondContact O-NE 3Å; R356-A395 VanDerWaalsContact CZ-O 3.25Å; R356-A395 PolarHBondContact NH1-O 3.34Å; R356-A395 PolarHBondContact NH2-O 2.92Å; R356-S399 PolarHBondContact NH1-O 2.86Å; R356-Y401 PolarHBondContact NH1-O 2.81Å; R356-P402 WeakPolarHBondContact CD-O 3.16Å; R356-I404 PolarHBondContact O-N 3.44Å; R356-Y619 HydrophobicContact CB-CD2 4.41Å; R356-Y619 HydrophobicContact CB-CE2 3.67Å; R356-Y619 HydrophobicContact CG-CD2 3.77Å; R356-Y619 HydrophobicContact CG-CE2 3.36Å
357	C	98.7	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	118.4	168	-177.2	0	0	0	0	109.4	S326 S327 S328 C355 I404 M592	S326-C357 PolarHBondContact O-N 3.33Å; S326-C357 VanDerWaalsContact O-N 3.09Å; S327-C357 WeakPolarHBondContact CA-O 3.12Å; S327-C357 WeakPolarHBondContact OG-CB 3.34Å; S328-C357 PolarHBondContact N-O 2.74Å; C355-C357 PolarHBondContact SG-O 2.78Å; C357-I404 WeakPolarHBondContact CA-O 3.31Å; C357-I404 HydrophobicContact CB-CB 4.23Å; C357-M592 HydrophobicContact CB-CG 4.24Å; C357-M592 HydrophobicContact CB-SD 4.23Å; C357-M592 VanDerWaalsContact SG-SD 3.6Å
358	V	98.8	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.6	-179.3	-63.4	0	0	0	0	110.5	T331 Y347 L351 L360 I391 L403 I404 L405 S406	T331-V358 HydrophobicContact CG2-CB 4.15Å; T331-V358 HydrophobicContact CG2-CG1 4.04Å; Y347-V358 HydrophobicContact CD1-CB 4.1Å; Y347-V358 HydrophobicContact CD1-CG1 4.5Å; Y347-V358 HydrophobicContact CD1-CG2 4.18Å; Y347-V358 HydrophobicContact CE1-CB 4.18Å; Y347-V358 HydrophobicContact CE1-CG2 4.3Å; L351-V358 HydrophobicContact CD2-CG1 4.33Å; V358-L360 HydrophobicContact CG2-CD1 4.28Å; V358-I391 HydrophobicContact CG2-CD1 4.36Å; V358-L403 HydrophobicContact CG2-CD1 4.34Å; V358-I404 PolarHBondContact N-O 2.77Å; V358-L405 HydrophobicContact CG2-CD2 3.57Å; V358-S406 PolarHBondContact O-N 3.48Å
359	E	98.6	Very high	95.4	Very high	3 Å²	3	39 Å²	39	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141	-174.6	-175.9	155.9	-118.2	0	0	112.1	H329 N330 T331 Y347 D361 S406 R567	H329-E359 WeakPolarHBondContact CA-OE2 3.28Å; H329-E359 IonicContact CD2-OE2 3.97Å; H329-E359 PolarHBondContact CD2-OE2 3.41Å; H329-E359 IonicContact CG-OE2 3.62Å; H329-E359 IonicContact NE2-OE2 3.07Å; N330-E359 PolarHBondContact N-OE2 3.5Å; N330-E359 PolarHBondContact OD1-OE2 3.26Å; T331-E359 PolarHBondContact OG1-N 3.04Å; Y347-E359 WeakPolarHBondContact CE1-O 3.11Å; Y347-E359 PolarHBondContact OH-O 2.81Å; E359-D361 WeakPolarHBondContact CG-OD1 3.23Å; E359-S406 WeakPolarHBondContact CA-O 3.26Å; E359-R567 IonicContact OE1-CZ 2.8Å; E359-R567 IonicContact OE1-NH1 2.86Å; E359-R567 PolarHBondContact OE1-NH1 2.66Å; E359-R567 IonicContact OE1-NH2 3.1Å; E359-R567 PolarHBondContact OE1-NH2 2.71Å; E359-R567 IonicContact OE2-CZ 3.56Å; E359-R567 IonicContact OE2-NH1 2.68Å; E359-R567 IonicContact OE2-NH2 3.45Å; E359-R567 PolarHBondContact OE2-NH2 2.78Å
360	L	98.1	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	106.1	179.7	-58.6	86.2	0	0	0	109	Y347 V358 C362 I372 F384 V387 I388 I391 L405 S406 L407 E408	Y347-L360 HydrophobicContact CE1-CD1 4.42Å; Y347-L360 HydrophobicContact CE1-CG 4.11Å; V358-L360 HydrophobicContact CG2-CD1 4.28Å; L360-C362 PolarHBondContact O-N 2.93Å; L360-C362 PolarHBondContact O-SG 3.17Å; L360-I372 HydrophobicContact CB-CD1 4.14Å; L360-I372 HydrophobicContact CD2-CD1 3.89Å; L360-I372 HydrophobicContact CG-CD1 4.27Å; L360-F384 HydrophobicContact CD2-CD2 4.45Å; L360-F384 HydrophobicContact CD2-CE2 3.97Å; L360-V387 HydrophobicContact CD2-CG1 3.88Å; L360-I388 HydrophobicContact CD2-CD1 3.7Å; L360-I391 HydrophobicContact CD2-CD1 4.21Å; L360-L405 HydrophobicContact CD1-CB 4.05Å; L360-L405 HydrophobicContact CD1-CD2 4.21Å; L360-S406 PolarHBondContact N-O 3.36Å; L360-L407 HydrophobicContact CB-CD2 3.89Å; L360-L407 HydrophobicContact CD1-CD2 4.05Å; L360-L407 HydrophobicContact CD2-CD2 4.28Å; L360-L407 HydrophobicContact CG-CD2 4.3Å; L360-E408 PolarHBondContact O-N 2.89Å
361	D	97.1	Very high	95.7	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	97.8	177	-67	7.1	0	0	0	109	N330 Y332 E359 I372 Y373 E408	N330-D361 PolarHBondContact OD1-OD2 3.31Å; Y332-D361 HydrophobicContact CE1-CB 3.72Å; Y332-D361 VanDerWaalsContact OH-CG 3.31Å; Y332-D361 PolarHBondContact OH-OD2 3.09Å; E359-D361 WeakPolarHBondContact CG-OD1 3.23Å; D361-I372 VanDerWaalsContact O-CA 3.25Å; D361-I372 WeakPolarHBondContact O-CA 3.31Å; D361-Y373 WeakPolarHBondContact CB-O 3.41Å; D361-Y373 PolarHBondContact O-N 2.85Å; D361-E408 WeakPolarHBondContact OD1-CB 3.48Å
362	C	97.1	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.9	-167.3	-55.4	0	0	0	0	110.3	L360 E408 H410 C411 M419	L360-C362 PolarHBondContact O-N 2.93Å; L360-C362 PolarHBondContact O-SG 3.17Å; C362-E408 PolarHBondContact N-O 3.47Å; C362-H410 WeakPolarHBondContact O-CA 3.47Å; C362-H410 WeakPolarHBondContact O-CB 3.44Å; C362-H410 PolarHBondContact O-N 3.15Å; C362-C411 PolarHBondContact O-SG 2.93Å; C362-C411 VanDerWaalsContact O-SG 3.37Å; C362-M419 HydrophobicContact CB-CE 3.5Å; C362-M419 HydrophobicContact CB-SD 3.84Å; C362-M419 WeakPolarHBondContact SG-CE 3.44Å
363	W	96	Very high	95.6	Very high	33 Å²	33	33.5 Å²	33.5	13%	0.125	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.1	179.7	-69.3	86.3	0	0	0	110.7	G365 A371 Y373 G375 H376 H410 C411	W363-G365 PolarHBondContact O-N 3.07Å; W363-A371 PolarHBondContact N-O 2.84Å; W363-A371 PolarHBondContact O-N 3.24Å; W363-Y373 HydrophobicContact CB-CD1 4.05Å; W363-Y373 HydrophobicContact CB-CE1 3.28Å; W363-Y373 VanDerWaalsContact CD1-O 3.27Å; W363-Y373 HydrophobicContact CG-CD1 4.26Å; W363-Y373 AromaticContact CG-CE1 3.68Å; W363-Y373 HydrophobicContact CG-CE1 3.68Å; W363-Y373 HydrophobicContact CG-CE2 4.27Å; W363-Y373 AromaticContact CG-CZ 3.64Å; W363-Y373 PolarHBondContact NE1-O 3.29Å; W363-G375 VanDerWaalsContact CE2-CA 3.5Å; W363-H376 AromaticContact CH2-CD2 3.92Å; W363-H376 AromaticContact CH2-NE2 3.69Å; W363-H410 HydrophobicContact CD2-CB 3.6Å; W363-H410 AromaticContact CD2-CG 3.98Å; W363-H410 AromaticContact CE2-CD2 3.34Å; W363-H410 AromaticContact CE2-CG 3.61Å; W363-H410 HydrophobicContact CE3-CB 3.55Å; W363-H410 HydrophobicContact CG-CB 4.23Å; W363-H410 HydrophobicContact CH2-CB 3.9Å; W363-H410 AromaticContact CH2-CG 3.64Å; W363-H410 AromaticContact CH2-ND1 3.75Å; W363-H410 HydrophobicContact CZ2-CB 3.93Å; W363-H410 AromaticContact CZ2-CD2 3.3Å; W363-H410 WeakPolarHBondContact CZ2-CD2 3.21Å; W363-H410 AromaticContact CZ2-CE1 3.82Å; W363-H410 AromaticContact CZ2-CG 3.41Å; W363-H410 VanDerWaalsContact CZ2-CG 3.41Å; W363-H410 AromaticContact CZ2-ND1 3.79Å; W363-H410 AromaticContact CZ2-NE2 3.56Å; W363-H410 HydrophobicContact CZ3-CB 3.72Å; W363-H410 AromaticContact NE1-CD2 3.56Å; W363-C411 PolarHBondContact N-SG 3.09Å
364	D	95.1	Very high	95.6	Very high	65 Å²	65	32.2 Å²	32.2	35%	0.348	17%	0.165	S	C	.	.			trans	-59.1	127.2	173.7	-74.6	-22.3	0	0	0	110.6	C411 S412 Q415	D364-C411 WeakPolarHBondContact OD1-CA 3.18Å; D364-C411 WeakPolarHBondContact OD1-CB 3.2Å; D364-S412 VanDerWaalsContact CG-N 3.34Å; D364-S412 PolarHBondContact OD1-N 3.28Å; D364-S412 WeakPolarHBondContact OD2-CB 3.35Å; D364-S412 PolarHBondContact OD2-N 2.88Å; D364-Q415 VanDerWaalsContact OD1-CB 3.29Å; D364-Q415 WeakPolarHBondContact OD1-CB 3.47Å; D364-Q415 VanDerWaalsContact OD1-CD 3.24Å; D364-Q415 WeakPolarHBondContact OD1-CG 3.41Å
365	G	92.5	Very high	95.1	Very high	12 Å²	12	32.5 Å²	32.5	12%	0.124	17%	0.169	C	C	.	.			trans	-110.2	179.2	175	0	0	0	0	0	112.8	W363 E369 Q415	W363-G365 PolarHBondContact O-N 3.07Å; G365-E369 CarbonylContact C-O 3.59Å; G365-E369 VanDerWaalsContact C-O 3.31Å; G365-E369 WeakPolarHBondContact CA-O 3.49Å; G365-E369 PolarHBondContact N-O 3.33Å; G365-Q415 PolarHBondContact O-NE2 2.87Å
366	D	90.2	Very high	94.5	Very high	139 Å²	139	40.5 Å²	40.5	74%	0.743	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-70.5	152.1	-176.9	-61	-37	0	0	0	111.2	G368 E369	D366-G368 PolarHBondContact O-N 2.73Å; D366-G368 VanDerWaalsContact O-N 3.12Å; D366-E369 PolarHBondContact O-N 2.89Å; D366-E369 VanDerWaalsContact O-N 3.16Å
367	K	91	Very high	94	Very high	215 Å²	215	42.3 Å²	42.3	94%	0.935	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	58.1	23.8	177.3	-52.5	178.4	-177.8	177.1	0	114.2	E369	K367-E369 VanDerWaalsContact C-N 3.28Å; K367-E369 PolarHBondContact O-N 2.87Å
368	G	90.7	Very high	93.3	Very high	33 Å²	33	50.9 Å²	50.9	34%	0.34	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	76.5	12	179.5	0	0	0	0	0	114.4	D366	D366-G368 PolarHBondContact O-N 2.73Å; D366-G368 VanDerWaalsContact O-N 3.12Å
369	E	95.4	Very high	92.7	Very high	83 Å²	83	51.4 Å²	51.4	39%	0.388	26%	0.257	S	S	.	.			trans	-98.3	125.4	175.8	-76.4	-68.3	161.7	0	0	110.6	G365 D366 K367 Q415 H422	G365-E369 CarbonylContact C-O 3.59Å; G365-E369 VanDerWaalsContact C-O 3.31Å; G365-E369 WeakPolarHBondContact CA-O 3.49Å; G365-E369 PolarHBondContact N-O 3.33Å; D366-E369 PolarHBondContact O-N 2.89Å; D366-E369 VanDerWaalsContact O-N 3.16Å; K367-E369 VanDerWaalsContact C-N 3.28Å; K367-E369 PolarHBondContact O-N 2.87Å; E369-Q415 PolarHBondContact O-OE1 2.95Å; E369-H422 IonicContact OE1-CE1 3.2Å; E369-H422 IonicContact OE1-NE2 2.65Å; E369-H422 IonicContact OE2-CD2 2.67Å; E369-H422 IonicContact OE2-CE1 3.2Å; E369-H422 IonicContact OE2-NE2 3.85Å; E369-H422 PolarHBondContact OE2-NE2 3.45Å
370	P	96.6	Very high	92.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.013	27%	0.274	C	S	.	.			trans	-63.9	146.8	179.6	-16.5	26.4	0	0	0	112.6	F384 Q415 V418 M419	P370-F384 HydrophobicContact CB-CB 3.82Å; P370-F384 HydrophobicContact CB-CG 4.26Å; P370-F384 WeakPolarHBondContact O-CB 3.39Å; P370-F384 PolarHBondContact O-N 3.05Å; P370-Q415 HydrophobicContact CG-CB 4.28Å; P370-V418 HydrophobicContact CG-CB 4.3Å; P370-V418 HydrophobicContact CG-CG1 4.19Å; P370-M419 HydrophobicContact CB-CG 3.78Å; P370-M419 HydrophobicContact CG-CG 3.48Å; P370-M419 VanDerWaalsContact CG-CG 3.48Å
371	A	96.6	Very high	92.1	Very high	9 Å²	9	59.1 Å²	59.1	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.4	177.7	0	0	0	0	0	111.6	W363 Y373 K381	W363-A371 PolarHBondContact N-O 2.84Å; W363-A371 PolarHBondContact O-N 3.24Å; A371-Y373 HydrophobicContact CB-CD1 4.29Å; A371-Y373 HydrophobicContact CB-CE1 4.41Å; A371-K381 HydrophobicContact CB-CB 4.49Å; A371-K381 HydrophobicContact CB-CD 4.47Å
372	I	96.8	Very high	91.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	174.2	-62.6	164.6	0	0	0	109.4	Y332 L360 D361 V382 F384 V387	Y332-I372 HydrophobicContact CD1-CG2 3.55Å; Y332-I372 HydrophobicContact CD2-CG2 4.23Å; Y332-I372 HydrophobicContact CE1-CG2 4.18Å; Y332-I372 HydrophobicContact CG-CG2 3.6Å; L360-I372 HydrophobicContact CB-CD1 4.14Å; L360-I372 HydrophobicContact CD2-CD1 3.89Å; L360-I372 HydrophobicContact CG-CD1 4.27Å; D361-I372 VanDerWaalsContact O-CA 3.25Å; D361-I372 WeakPolarHBondContact O-CA 3.31Å; I372-V382 HydrophobicContact CB-CG1 3.87Å; I372-V382 HydrophobicContact CG2-CG1 4.31Å; I372-V382 PolarHBondContact N-O 3.23Å; I372-V382 PolarHBondContact O-N 2.96Å; I372-F384 HydrophobicContact CD1-CB 4.38Å; I372-F384 HydrophobicContact CD1-CD2 3.82Å; I372-F384 HydrophobicContact CD1-CG 4.48Å; I372-F384 HydrophobicContact CG1-CB 4.38Å; I372-F384 HydrophobicContact CG1-CD2 4.06Å; I372-V387 HydrophobicContact CD1-CB 3.72Å; I372-V387 HydrophobicContact CD1-CG1 3.79Å; I372-V387 HydrophobicContact CD1-CG2 3.75Å
373	Y	93.7	Very high	91.9	Very high	31 Å²	31	62.1 Å²	62.1	12%	0.122	32%	0.317	C	S	.	.	S	Bend	trans	-170.4	169.8	173.9	64.1	-81.8	0	0	0	110.4	D361 W363 A371 G375 S380 K381	D361-Y373 WeakPolarHBondContact CB-O 3.41Å; D361-Y373 PolarHBondContact O-N 2.85Å; W363-Y373 HydrophobicContact CB-CD1 4.05Å; W363-Y373 HydrophobicContact CB-CE1 3.28Å; W363-Y373 VanDerWaalsContact CD1-O 3.27Å; W363-Y373 HydrophobicContact CG-CD1 4.26Å; W363-Y373 AromaticContact CG-CE1 3.68Å; W363-Y373 HydrophobicContact CG-CE1 3.68Å; W363-Y373 HydrophobicContact CG-CE2 4.27Å; W363-Y373 AromaticContact CG-CZ 3.64Å; W363-Y373 PolarHBondContact NE1-O 3.29Å; A371-Y373 HydrophobicContact CB-CD1 4.29Å; A371-Y373 HydrophobicContact CB-CE1 4.41Å; Y373-G375 PolarHBondContact O-N 3.08Å; Y373-S380 WeakPolarHBondContact CB-O 3.45Å; Y373-K381 HydrophobicContact CD1-CB 4.24Å; Y373-K381 HydrophobicContact CD1-CD 3.7Å; Y373-K381 HydrophobicContact CD1-CG 3.61Å; Y373-K381 HydrophobicContact CD2-CG 4.49Å; Y373-K381 HydrophobicContact CE1-CD 3.71Å; Y373-K381 HydrophobicContact CE1-CG 4.14Å; Y373-K381 HydrophobicContact CG-CD 4.29Å; Y373-K381 HydrophobicContact CG-CG 3.81Å
374	H	91.3	Very high	92	Very high	48 Å²	48	60.5 Å²	60.5	22%	0.222	31%	0.311	C	S	.	.			trans	-82.9	112.3	175.4	-172	-144.9	0	0	0	109.8	Y332 Q337 T377 T379	Y332-H374 HydrophobicContact CE2-CB 4.11Å; Y332-H374 VanDerWaalsContact OH-CA 3.31Å; Y332-H374 WeakPolarHBondContact OH-CA 3.48Å; Y332-H374 WeakPolarHBondContact OH-CB 3.27Å; Y332-H374 PolarHBondContact OH-N 3.47Å; Q337-H374 PolarHBondContact O-ND1 3.21Å; H374-T377 HydrophobicContact CB-CG2 4.47Å; H374-T377 WeakPolarHBondContact ND1-CG2 3.48Å; H374-T377 PolarHBondContact O-N 2.93Å; H374-T377 PolarHBondContact O-OG1 3.25Å; H374-T379 HydrophobicContact CB-CG2 4.14Å; H374-T379 PolarHBondContact N-OG1 3.35Å; H374-T379 PolarHBondContact O-OG1 3.33Å
375	G	86.3	Confident	92	Very high	8 Å²	8	61.7 Å²	61.7	8%	0.082	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	148.5	-174.6	0	0	0	0	0	113.9	W363 Y373 T377	W363-G375 VanDerWaalsContact CE2-CA 3.5Å; Y373-G375 PolarHBondContact O-N 3.08Å; G375-T377 WeakPolarHBondContact O-CG2 3.49Å; G375-T377 PolarHBondContact O-N 3.23Å
376	H	85.9	Confident	92.2	Very high	168 Å²	168	64.3 Å²	64.3	78%	0.778	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	22.8	177.8	-53	-72.8	0	0	0	115.2	W363	W363-H376 AromaticContact CH2-CD2 3.92Å; W363-H376 AromaticContact CH2-NE2 3.69Å
377	T	86.5	Confident	92.6	Very high	37 Å²	37	57.7 Å²	57.7	23%	0.227	29%	0.286	C	S	.	.	S	Bend	trans	-122.4	-179.9	175.1	72.6	0	0	0	0	112.2	H374 G375 T379	H374-T377 HydrophobicContact CB-CG2 4.47Å; H374-T377 WeakPolarHBondContact ND1-CG2 3.48Å; H374-T377 PolarHBondContact O-N 2.93Å; H374-T377 PolarHBondContact O-OG1 3.25Å; G375-T377 WeakPolarHBondContact O-CG2 3.49Å; G375-T377 PolarHBondContact O-N 3.23Å; T377-T379 VanDerWaalsContact C-N 3.33Å; T377-T379 WeakPolarHBondContact OG1-CG2 3.45Å; T377-T379 PolarHBondContact OG1-N 2.66Å; T377-T379 PolarHBondContact OG1-OG1 3.5Å
378	F	84	Confident	92.9	Very high	180 Å²	180	47.5 Å²	47.5	79%	0.789	24%	0.242	S	C	*	.	S	Bend	trans	-95.1	17.7	176.6	-61.3	-72.7	0	0	0	112.9	V338 T339	V338-F378 CarbonylContact O-C 3.5Å; V338-F378 WeakPolarHBondContact O-CA 3.39Å; V338-F378 WeakPolarHBondContact O-CB 3.48Å; V338-F378 PolarHBondContact O-N 3.35Å; T339-F378 HydrophobicContact CG2-CB 4.47Å
379	T	87.6	Confident	93.2	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.067	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-67.1	148.4	176.7	56.2	0	0	0	0	111.3	L333 V338 S340 H374 T377	L333-T379 HydrophobicContact CD2-CG2 3.77Å; V338-T379 PolarHBondContact O-N 2.82Å; S340-T379 WeakPolarHBondContact O-CA 3.17Å; S340-T379 WeakPolarHBondContact O-CB 3.18Å; H374-T379 HydrophobicContact CB-CG2 4.14Å; H374-T379 PolarHBondContact N-OG1 3.35Å; H374-T379 PolarHBondContact O-OG1 3.33Å; T377-T379 VanDerWaalsContact C-N 3.33Å; T377-T379 WeakPolarHBondContact OG1-CG2 3.45Å; T377-T379 PolarHBondContact OG1-N 2.66Å; T377-T379 PolarHBondContact OG1-OG1 3.5Å
380	S	90.1	Very high	93.3	Very high	51 Å²	51	46.4 Å²	46.4	36%	0.357	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-72.2	161.4	175.9	75.9	0	0	0	0	111	S340 A341 S342 Y373	S340-S380 PolarHBondContact O-N 3.4Å; A341-S380 VanDerWaalsContact CA-OG 3.27Å; A341-S380 WeakPolarHBondContact CA-OG 3.37Å; S342-S380 WeakPolarHBondContact CB-O 3.41Å; S342-S380 PolarHBondContact N-OG 3.49Å; S342-S380 PolarHBondContact OG-O 3.25Å; Y373-S380 WeakPolarHBondContact CB-O 3.45Å
381	K	92.7	Very high	93.4	Very high	114 Å²	114	46.3 Å²	46.3	50%	0.496	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-103	146.4	179.7	-51.9	-171.9	179.9	-175.8	0	111.2	A371 Y373	A371-K381 HydrophobicContact CB-CB 4.49Å; A371-K381 HydrophobicContact CB-CD 4.47Å; Y373-K381 HydrophobicContact CD1-CB 4.24Å; Y373-K381 HydrophobicContact CD1-CD 3.7Å; Y373-K381 HydrophobicContact CD1-CG 3.61Å; Y373-K381 HydrophobicContact CD2-CG 4.49Å; Y373-K381 HydrophobicContact CE1-CD 3.71Å; Y373-K381 HydrophobicContact CE1-CG 4.14Å; Y373-K381 HydrophobicContact CG-CD 4.29Å; Y373-K381 HydrophobicContact CG-CG 3.81Å
382	V	93.9	Very high	93.4	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137	169	64.3	0	0	0	0	109.7	T344 I372 F384 V387	T344-V382 HydrophobicContact CG2-CG2 3.64Å; I372-V382 HydrophobicContact CB-CG1 3.87Å; I372-V382 HydrophobicContact CG2-CG1 4.31Å; I372-V382 PolarHBondContact N-O 3.23Å; I372-V382 PolarHBondContact O-N 2.96Å; V382-F384 PolarHBondContact O-N 2.81Å; V382-V387 HydrophobicContact CG1-CG2 3.72Å; V382-V387 HydrophobicContact CG2-CG2 3.97Å
383	P	96.3	Very high	93.4	Very high	56 Å²	56	53 Å²	53	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136	179	-25.6	37	0	0	0	112.1	K385 E386 V387	P383-K385 VanDerWaalsContact C-N 3.27Å; P383-K385 PolarHBondContact O-N 3.34Å; P383-E386 HydrophobicContact CB-CB 4.45Å; P383-E386 HydrophobicContact CB-CG 4.14Å; P383-E386 HydrophobicContact CG-CG 4.38Å; P383-E386 WeakPolarHBondContact CG-OE1 3.46Å; P383-E386 PolarHBondContact O-N 3.15Å; P383-V387 PolarHBondContact O-N 3.1Å
384	F	97.8	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-43.4	178.9	177.3	-92.4	0	0	0	111.5	L360 P370 I372 V382 E386 V387 I388 M419 H422 L423	L360-F384 HydrophobicContact CD2-CD2 4.45Å; L360-F384 HydrophobicContact CD2-CE2 3.97Å; P370-F384 HydrophobicContact CB-CB 3.82Å; P370-F384 HydrophobicContact CB-CG 4.26Å; P370-F384 WeakPolarHBondContact O-CB 3.39Å; P370-F384 PolarHBondContact O-N 3.05Å; I372-F384 HydrophobicContact CD1-CB 4.38Å; I372-F384 HydrophobicContact CD1-CD2 3.82Å; I372-F384 HydrophobicContact CD1-CG 4.48Å; I372-F384 HydrophobicContact CG1-CB 4.38Å; I372-F384 HydrophobicContact CG1-CD2 4.06Å; V382-F384 PolarHBondContact O-N 2.81Å; F384-E386 PolarHBondContact O-N 3.17Å; F384-V387 PolarHBondContact O-N 3.4Å; F384-I388 HydrophobicContact CD1-CG1 3.89Å; F384-I388 HydrophobicContact CE1-CD1 4.11Å; F384-I388 HydrophobicContact CE1-CG1 3.45Å; F384-I388 VanDerWaalsContact CE1-CG1 3.45Å; F384-I388 HydrophobicContact CE2-CD1 4.12Å; F384-I388 HydrophobicContact CE2-CG1 4.25Å; F384-I388 HydrophobicContact CG-CG1 4.46Å; F384-I388 HydrophobicContact CZ-CD1 3.75Å; F384-I388 HydrophobicContact CZ-CG1 3.65Å; F384-I388 WeakPolarHBondContact O-CG1 3.37Å; F384-I388 PolarHBondContact O-N 2.85Å; F384-M419 HydrophobicContact CD1-CG 4.4Å; F384-M419 HydrophobicContact CD2-CE 4.48Å; F384-M419 HydrophobicContact CE1-CB 4.04Å; F384-M419 HydrophobicContact CE1-CG 4.26Å; F384-M419 HydrophobicContact CE2-CE 3.89Å; F384-M419 HydrophobicContact CE2-CG 4.45Å; F384-M419 HydrophobicContact CZ-CB 4.12Å; F384-M419 HydrophobicContact CZ-CE 4.17Å; F384-M419 HydrophobicContact CZ-CG 4.3Å; F384-H422 HydrophobicContact CD1-CB 4.24Å; F384-H422 HydrophobicContact CE1-CB 4.04Å; F384-L423 HydrophobicContact CE1-CG 4.22Å; F384-L423 HydrophobicContact CZ-CD1 4.24Å; F384-L423 HydrophobicContact CZ-CD2 4.11Å; F384-L423 HydrophobicContact CZ-CG 3.95Å
385	K	97.1	Very high	93.8	Very high	89 Å²	89	50 Å²	50	39%	0.387	25%	0.247	S	C	.	.	H	α-helix	trans	-54.1	-48.7	179	-174.6	-175.5	174.3	-169.3	0	112.3	P383 V387 I388 E389 I426	P383-K385 VanDerWaalsContact C-N 3.27Å; P383-K385 PolarHBondContact O-N 3.34Å; K385-V387 VanDerWaalsContact C-N 3.32Å; K385-V387 PolarHBondContact O-N 3.49Å; K385-I388 PolarHBondContact O-N 3.5Å; K385-E389 WeakPolarHBondContact CE-OE1 3.35Å; K385-E389 WeakPolarHBondContact O-CG 3.41Å; K385-E389 PolarHBondContact O-N 2.93Å; K385-I426 HydrophobicContact CG-CD1 3.89Å
386	E	95.4	Very high	94.4	Very high	68 Å²	68	52 Å²	52	32%	0.318	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-37	-179.3	-68.3	-175.3	-147.6	0	0	112.2	R105 T344 P383 F384 E389 A390	R105-E386 IonicContact NH1-OE2 3.32Å; R105-E386 PolarHBondContact NH1-OE2 2.93Å; T344-E386 HydrophobicContact CG2-CB 4.02Å; P383-E386 HydrophobicContact CB-CB 4.45Å; P383-E386 HydrophobicContact CB-CG 4.14Å; P383-E386 HydrophobicContact CG-CG 4.38Å; P383-E386 WeakPolarHBondContact CG-OE1 3.46Å; P383-E386 PolarHBondContact O-N 3.15Å; F384-E386 PolarHBondContact O-N 3.17Å; E386-E389 PolarHBondContact O-N 3.21Å; E386-A390 PolarHBondContact O-N 3.02Å
387	V	97.8	Very high	94.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-43.6	174.4	169.8	0	0	0	0	110.8	T344 Y347 L360 I372 V382 P383 F384 K385 E389 A390 I391	T344-V387 HydrophobicContact CG2-CG2 4.02Å; Y347-V387 HydrophobicContact CD1-CG1 4.18Å; Y347-V387 HydrophobicContact CD2-CG1 3.76Å; Y347-V387 HydrophobicContact CD2-CG2 4.16Å; Y347-V387 HydrophobicContact CE1-CG1 3.94Å; Y347-V387 HydrophobicContact CE2-CB 4.28Å; Y347-V387 HydrophobicContact CE2-CG1 3.46Å; Y347-V387 VanDerWaalsContact CE2-CG1 3.46Å; Y347-V387 HydrophobicContact CE2-CG2 3.77Å; Y347-V387 HydrophobicContact CG-CG1 4.1Å; L360-V387 HydrophobicContact CD2-CG1 3.88Å; I372-V387 HydrophobicContact CD1-CB 3.72Å; I372-V387 HydrophobicContact CD1-CG1 3.79Å; I372-V387 HydrophobicContact CD1-CG2 3.75Å; V382-V387 HydrophobicContact CG1-CG2 3.72Å; V382-V387 HydrophobicContact CG2-CG2 3.97Å; P383-V387 PolarHBondContact O-N 3.1Å; F384-V387 PolarHBondContact O-N 3.4Å; K385-V387 VanDerWaalsContact C-N 3.32Å; K385-V387 PolarHBondContact O-N 3.49Å; V387-E389 VanDerWaalsContact C-N 3.34Å; V387-E389 PolarHBondContact O-N 3.23Å; V387-A390 PolarHBondContact O-N 2.76Å; V387-I391 HydrophobicContact CG1-CD1 3.77Å; V387-I391 HydrophobicContact CG1-CG1 4.45Å; V387-I391 WeakPolarHBondContact O-CB 3.26Å; V387-I391 VanDerWaalsContact O-CG1 3.29Å; V387-I391 WeakPolarHBondContact O-CG1 3.3Å; V387-I391 PolarHBondContact O-N 3.32Å
388	I	98.5	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-36	177.2	-59.6	-49.3	0	0	0	111.7	L360 F384 K385 I391 N392 L405 L423 I426 L427	L360-I388 HydrophobicContact CD2-CD1 3.7Å; F384-I388 HydrophobicContact CD1-CG1 3.89Å; F384-I388 HydrophobicContact CE1-CD1 4.11Å; F384-I388 HydrophobicContact CE1-CG1 3.45Å; F384-I388 VanDerWaalsContact CE1-CG1 3.45Å; F384-I388 HydrophobicContact CE2-CD1 4.12Å; F384-I388 HydrophobicContact CE2-CG1 4.25Å; F384-I388 HydrophobicContact CG-CG1 4.46Å; F384-I388 HydrophobicContact CZ-CD1 3.75Å; F384-I388 HydrophobicContact CZ-CG1 3.65Å; F384-I388 WeakPolarHBondContact O-CG1 3.37Å; F384-I388 PolarHBondContact O-N 2.85Å; K385-I388 PolarHBondContact O-N 3.5Å; I388-I391 HydrophobicContact CD1-CD1 4.22Å; I388-I391 PolarHBondContact O-N 3.48Å; I388-N392 WeakPolarHBondContact O-CB 3.35Å; I388-N392 PolarHBondContact O-N 3.28Å; I388-L405 HydrophobicContact CD1-CD1 4.42Å; I388-L423 HydrophobicContact CD1-CD2 3.68Å; I388-L423 HydrophobicContact CG1-CD2 4.1Å; I388-L423 HydrophobicContact CG2-CD2 4.34Å; I388-I426 HydrophobicContact CB-CD1 4.11Å; I388-I426 HydrophobicContact CG2-CB 3.82Å; I388-I426 HydrophobicContact CG2-CD1 3.95Å; I388-I426 HydrophobicContact CG2-CG2 3.82Å; I388-L427 HydrophobicContact CG2-CD1 4.29Å; I388-L427 HydrophobicContact CG2-CD2 3.72Å; I388-L427 HydrophobicContact CG2-CG 3.77Å
389	E	97.7	Very high	95.7	Very high	84 Å²	84	41.4 Å²	41.4	39%	0.393	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-45.6	173.3	-73.3	170.4	172	0	0	111.8	K385 E386 V387 N392 Q393 I426	K385-E389 WeakPolarHBondContact CE-OE1 3.35Å; K385-E389 WeakPolarHBondContact O-CG 3.41Å; K385-E389 PolarHBondContact O-N 2.93Å; E386-E389 PolarHBondContact O-N 3.21Å; V387-E389 VanDerWaalsContact C-N 3.34Å; V387-E389 PolarHBondContact O-N 3.23Å; E389-N392 WeakPolarHBondContact O-CB 3.46Å; E389-N392 PolarHBondContact O-N 2.82Å; E389-Q393 PolarHBondContact O-N 2.78Å; E389-Q393 VanDerWaalsContact O-N 3.16Å; E389-I426 HydrophobicContact CG-CD1 4.16Å; E389-I426 HydrophobicContact CG-CG2 3.97Å
390	A	96.2	Very high	96.2	Very high	9 Å²	9	42.7 Å²	42.7	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-47	174.3	0	0	0	0	0	111.3	I348 E386 V387 N392 Q393 Y394	I348-A390 HydrophobicContact CD1-CB 4.35Å; I348-A390 HydrophobicContact CG1-CB 4.2Å; E386-A390 PolarHBondContact O-N 3.02Å; V387-A390 PolarHBondContact O-N 2.76Å; A390-N392 VanDerWaalsContact C-N 3.33Å; A390-N392 PolarHBondContact O-N 3.24Å; A390-Q393 PolarHBondContact O-N 3.44Å; A390-Y394 WeakPolarHBondContact O-CD2 3.31Å; A390-Y394 PolarHBondContact O-N 3.22Å
391	I	98.4	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-45.3	176.2	-72	167.4	0	0	0	110.6	Y347 L351 V358 L360 V387 I388 Q393 Y394 A395 L403 L405 L427 I456	Y347-I391 HydrophobicContact CD1-CD1 4.06Å; Y347-I391 HydrophobicContact CD1-CG1 4.31Å; Y347-I391 HydrophobicContact CE1-CD1 4.37Å; L351-I391 HydrophobicContact CD1-CG1 4.37Å; V358-I391 HydrophobicContact CG2-CD1 4.36Å; L360-I391 HydrophobicContact CD2-CD1 4.21Å; V387-I391 HydrophobicContact CG1-CD1 3.77Å; V387-I391 HydrophobicContact CG1-CG1 4.45Å; V387-I391 WeakPolarHBondContact O-CB 3.26Å; V387-I391 VanDerWaalsContact O-CG1 3.29Å; V387-I391 WeakPolarHBondContact O-CG1 3.3Å; V387-I391 PolarHBondContact O-N 3.32Å; I388-I391 HydrophobicContact CD1-CD1 4.22Å; I388-I391 PolarHBondContact O-N 3.48Å; I391-Q393 PolarHBondContact O-N 2.82Å; I391-Y394 PolarHBondContact O-N 3.47Å; I391-A395 HydrophobicContact CG2-CB 4.36Å; I391-A395 WeakPolarHBondContact O-CA 3.3Å; I391-A395 WeakPolarHBondContact O-CB 3.33Å; I391-A395 PolarHBondContact O-N 3.06Å; I391-L403 HydrophobicContact CG2-CD2 3.7Å; I391-L405 HydrophobicContact CD1-CD2 4.02Å; I391-L405 HydrophobicContact CG2-CD2 4.24Å; I391-L427 HydrophobicContact CG2-CD2 4.47Å; I391-I456 HydrophobicContact CG2-CD1 4.32Å
392	N	98	Very high	96.7	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-40.5	179.3	-172.4	30.1	0	0	0	112.2	I388 E389 A390 I426 L427 K430	I388-N392 WeakPolarHBondContact O-CB 3.35Å; I388-N392 PolarHBondContact O-N 3.28Å; E389-N392 WeakPolarHBondContact O-CB 3.46Å; E389-N392 PolarHBondContact O-N 2.82Å; A390-N392 VanDerWaalsContact C-N 3.33Å; A390-N392 PolarHBondContact O-N 3.24Å; N392-I426 HydrophobicContact CB-CG2 3.96Å; N392-I426 VanDerWaalsContact CG-O 3.31Å; N392-I426 PolarHBondContact ND2-O 3.14Å; N392-L427 HydrophobicContact CB-CD2 3.86Å; N392-K430 PolarHBondContact O-NZ 3.14Å; N392-K430 WeakPolarHBondContact OD1-CD 3.29Å; N392-K430 PolarHBondContact OD1-NZ 3.46Å
393	Q	96.2	Very high	96.9	Very high	108 Å²	108	34.7 Å²	34.7	51%	0.505	18%	0.176	S	C	.	.	H	α-helix	trans	-74.6	-36.9	-178	-168.8	-177.9	18.1	0	0	112.7	E389 A390 I391 K397	E389-Q393 PolarHBondContact O-N 2.78Å; E389-Q393 VanDerWaalsContact O-N 3.16Å; A390-Q393 PolarHBondContact O-N 3.44Å; I391-Q393 PolarHBondContact O-N 2.82Å; Q393-K397 VanDerWaalsContact O-CE 3.27Å; Q393-K397 WeakPolarHBondContact O-CE 3.41Å
394	Y	96.9	Very high	97	Very high	15 Å²	15	32 Å²	32	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-107.8	-13.7	-170.1	-69.5	-91.3	0	0	0	115	I348 A390 I391 F396 K397	I348-Y394 HydrophobicContact CB-CD2 4.45Å; I348-Y394 HydrophobicContact CB-CG 4.48Å; I348-Y394 HydrophobicContact CD1-CD2 4.08Å; I348-Y394 HydrophobicContact CD1-CE2 3.71Å; I348-Y394 HydrophobicContact CG1-CD2 3.72Å; I348-Y394 HydrophobicContact CG1-CE2 3.87Å; I348-Y394 HydrophobicContact CG1-CG 4.2Å; I348-Y394 HydrophobicContact CG2-CD1 3.68Å; I348-Y394 HydrophobicContact CG2-CD2 4.13Å; I348-Y394 HydrophobicContact CG2-CE1 3.66Å; I348-Y394 HydrophobicContact CG2-CE2 4.1Å; I348-Y394 HydrophobicContact CG2-CG 3.94Å; A390-Y394 WeakPolarHBondContact O-CD2 3.31Å; A390-Y394 PolarHBondContact O-N 3.22Å; I391-Y394 PolarHBondContact O-N 3.47Å; Y394-F396 PolarHBondContact O-N 3.42Å; Y394-K397 HydrophobicContact CD1-CD 3.6Å; Y394-K397 HydrophobicContact CE1-CD 3.96Å; Y394-K397 HydrophobicContact CG-CD 4.32Å; Y394-K397 PolarHBondContact O-N 2.94Å; Y394-K397 VanDerWaalsContact O-N 3.16Å
395	A	97.4	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-41.3	-173.4	0	0	0	0	0	113.2	R356 I391 L403 I456	R356-A395 VanDerWaalsContact CZ-O 3.25Å; R356-A395 PolarHBondContact NH1-O 3.34Å; R356-A395 PolarHBondContact NH2-O 2.92Å; I391-A395 HydrophobicContact CG2-CB 4.36Å; I391-A395 WeakPolarHBondContact O-CA 3.3Å; I391-A395 WeakPolarHBondContact O-CB 3.33Å; I391-A395 PolarHBondContact O-N 3.06Å; A395-L403 HydrophobicContact CB-CD2 3.7Å; A395-I456 HydrophobicContact CB-CD1 4.15Å
396	F	97.6	Very high	97.1	Very high	49 Å²	49	27.8 Å²	27.8	22%	0.215	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	17.1	-174	-52.4	-67.2	0	0	0	115.2	Y394 S399 Y401 K430 G454 R455 I456	Y394-F396 PolarHBondContact O-N 3.42Å; F396-S399 CarbonylContact C-O 3.6Å; F396-S399 WeakPolarHBondContact CA-O 3.19Å; F396-Y401 WeakPolarHBondContact CE1-O 3.46Å; F396-K430 HydrophobicContact CD2-CD 4.28Å; F396-K430 HydrophobicContact CE2-CB 4.19Å; F396-K430 HydrophobicContact CE2-CD 3.97Å; F396-K430 HydrophobicContact CE2-CG 4.06Å; F396-G454 WeakPolarHBondContact CE2-O 3.42Å; F396-G454 WeakPolarHBondContact CZ-O 3.38Å; F396-R455 WeakPolarHBondContact CZ-O 3.46Å; F396-I456 HydrophobicContact CE2-CD1 4.22Å; F396-I456 HydrophobicContact CE2-CG1 3.95Å; F396-I456 HydrophobicContact CZ-CD1 4.38Å; F396-I456 HydrophobicContact CZ-CG1 3.65Å
397	K	94.9	Very high	97.2	Very high	118 Å²	118	25.3 Å²	25.3	51%	0.513	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-47.6	179	-77.8	-170.8	-177	175.8	0	112.7	Q393 Y394	Q393-K397 VanDerWaalsContact O-CE 3.27Å; Q393-K397 WeakPolarHBondContact O-CE 3.41Å; Y394-K397 HydrophobicContact CD1-CD 3.6Å; Y394-K397 HydrophobicContact CE1-CD 3.96Å; Y394-K397 HydrophobicContact CG-CD 4.32Å; Y394-K397 PolarHBondContact O-N 2.94Å; Y394-K397 VanDerWaalsContact O-N 3.16Å
398	A	93.4	Very high	97	Very high	44 Å²	44	28.3 Å²	28.3	36%	0.364	14%	0.143	S	C	.	.	S	Bend	trans	-89.1	-25.3	-179.4	0	0	0	0	0	113.4	L351	L351-A398 WeakPolarHBondContact O-CB 3.25Å
399	S	96.7	Very high	96.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.151	C	C	.	.			trans	-146.7	133.1	-178.1	174.2	0	0	0	0	110.8	R356 F396 Y401 C617	R356-S399 PolarHBondContact NH1-O 2.86Å; F396-S399 CarbonylContact C-O 3.6Å; F396-S399 WeakPolarHBondContact CA-O 3.19Å; S399-Y401 VanDerWaalsContact C-N 3.29Å; S399-Y401 PolarHBondContact OG-N 3.15Å; S399-C617 VanDerWaalsContact CB-O 3.3Å; S399-C617 WeakPolarHBondContact CB-O 3.31Å; S399-C617 PolarHBondContact OG-O 3.06Å
400	P	96.3	Very high	96.6	Very high	38 Å²	38	27.6 Å²	27.6	25%	0.247	14%	0.141	C	C	.	.			trans	-81.5	-8.8	177.9	35.5	-37.2	0	0	0	113.2	R453 G454	P400-R453 HydrophobicContact CB-CG 4Å; P400-R453 WeakPolarHBondContact O-CG 3.22Å; P400-G454 PolarHBondContact O-N 3.03Å
401	Y	97.5	Very high	96.4	Very high	6 Å²	6	27.6 Å²	27.6	2%	0.024	14%	0.14	C	C	.	.	S	Bend	trans	-77.1	158.5	-175.5	-67.9	-72.6	0	0	0	112	I312 M316 R356 F396 S399 L449 C617 Y619	I312-Y401 HydrophobicContact CD1-CE2 3.83Å; I312-Y401 HydrophobicContact CG1-CE2 4.28Å; M316-Y401 HydrophobicContact CB-CE1 3.95Å; M316-Y401 HydrophobicContact CE-CD1 3.97Å; M316-Y401 HydrophobicContact CE-CD2 4.03Å; M316-Y401 HydrophobicContact CE-CE1 3.58Å; M316-Y401 HydrophobicContact CE-CE2 3.65Å; M316-Y401 HydrophobicContact CE-CG 4.18Å; M316-Y401 VanDerWaalsContact CE-CZ 3.42Å; M316-Y401 HydrophobicContact CG-CE1 4.19Å; M316-Y401 WeakPolarHBondContact CG-OH 3.49Å; R356-Y401 PolarHBondContact NH1-O 2.81Å; F396-Y401 WeakPolarHBondContact CE1-O 3.46Å; S399-Y401 VanDerWaalsContact C-N 3.29Å; S399-Y401 PolarHBondContact OG-N 3.15Å; Y401-L449 HydrophobicContact CD1-CD2 4.12Å; Y401-L449 HydrophobicContact CD1-CG 3.93Å; Y401-C617 HydrophobicContact CD2-CB 3.68Å; Y401-C617 HydrophobicContact CE2-CB 3.9Å; Y401-Y619 HydrophobicContact CG-CD2 4.16Å
402	P	97	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.			trans	-53.2	152.2	-171.8	18.1	-33.5	0	0	0	114.4	R356 L449 L452 R455 L457 Y619	R356-P402 WeakPolarHBondContact CD-O 3.16Å; P402-L449 HydrophobicContact CG-CD1 3.53Å; P402-L452 HydrophobicContact CB-CB 3.82Å; P402-L452 WeakPolarHBondContact CB-O 3.09Å; P402-L452 WeakPolarHBondContact CD-O 3.48Å; P402-L452 HydrophobicContact CG-CB 3.59Å; P402-L452 HydrophobicContact CG-CD1 4.33Å; P402-R455 WeakPolarHBondContact CA-O 3.16Å; P402-L457 HydrophobicContact CB-CD1 3.6Å; P402-Y619 HydrophobicContact CG-CE2 4.3Å; P402-Y619 WeakPolarHBondContact O-CE2 3.24Å; P402-Y619 PolarHBondContact O-OH 3.21Å
403	L	98.6	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.3	173.5	176.3	66.2	0	0	0	109.5	L351 V358 I391 A395 L405 R455 I456 L457	L351-L403 HydrophobicContact CD2-CD1 3.58Å; L351-L403 HydrophobicContact CD2-CD2 3.82Å; L351-L403 HydrophobicContact CD2-CG 4.36Å; V358-L403 HydrophobicContact CG2-CD1 4.34Å; I391-L403 HydrophobicContact CG2-CD2 3.7Å; A395-L403 HydrophobicContact CB-CD2 3.7Å; L403-L405 HydrophobicContact CD2-CD2 4Å; L403-L405 HydrophobicContact CG-CD2 4.13Å; L403-R455 PolarHBondContact N-O 2.96Å; L403-I456 HydrophobicContact CB-CG1 4.35Å; L403-I456 CarbonylContact O-C 3.6Å; L403-I456 VanDerWaalsContact O-CA 3.28Å; L403-I456 WeakPolarHBondContact O-CA 3.3Å; L403-L457 PolarHBondContact O-N 3.28Å
404	I	98.6	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.7	175.2	-56.5	172.1	0	0	0	109.2	I325 R356 C357 V358 L457 K459 M592	I325-I404 HydrophobicContact CD1-CD1 4.23Å; R356-I404 PolarHBondContact O-N 3.44Å; C357-I404 WeakPolarHBondContact CA-O 3.31Å; C357-I404 HydrophobicContact CB-CB 4.23Å; V358-I404 PolarHBondContact N-O 2.77Å; I404-L457 HydrophobicContact CG1-CB 4.42Å; I404-K459 HydrophobicContact CG2-CB 3.9Å; I404-M592 HydrophobicContact CD1-SD 3.85Å; I404-M592 HydrophobicContact CG2-SD 4.44Å
405	L	98.6	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108	170.8	-55	-172.7	0	0	0	108.8	V358 L360 I388 I391 L403 L407 L423 L427 I456 L457 K459	V358-L405 HydrophobicContact CG2-CD2 3.57Å; L360-L405 HydrophobicContact CD1-CB 4.05Å; L360-L405 HydrophobicContact CD1-CD2 4.21Å; I388-L405 HydrophobicContact CD1-CD1 4.42Å; I391-L405 HydrophobicContact CD1-CD2 4.02Å; I391-L405 HydrophobicContact CG2-CD2 4.24Å; L403-L405 HydrophobicContact CD2-CD2 4Å; L403-L405 HydrophobicContact CG-CD2 4.13Å; L405-L407 HydrophobicContact CB-CD2 4.42Å; L405-L407 PolarHBondContact O-N 3.24Å; L405-L423 HydrophobicContact CD1-CD2 3.97Å; L405-L427 HydrophobicContact CD1-CD1 4.18Å; L405-I456 HydrophobicContact CD1-CG2 3.67Å; L405-I456 HydrophobicContact CD2-CG2 4.2Å; L405-I456 HydrophobicContact CG-CG2 3.59Å; L405-L457 PolarHBondContact N-O 2.81Å; L405-K459 PolarHBondContact O-N 2.9Å
406	S	98.1	Very high	95.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	100.8	173.8	-178	0	0	0	0	109.1	V358 E359 L360 K459	V358-S406 PolarHBondContact O-N 3.48Å; E359-S406 WeakPolarHBondContact CA-O 3.26Å; L360-S406 PolarHBondContact N-O 3.36Å; S406-K459 VanDerWaalsContact OG-CD 3.29Å; S406-K459 WeakPolarHBondContact OG-CD 3.44Å; S406-K459 PolarHBondContact OG-NZ 3.2Å; S406-K459 VanDerWaalsContact OG-NZ 3.1Å
407	L	96	Very high	95.9	Very high	15 Å²	15	31 Å²	31	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.3	178.8	-56.8	-175.1	0	0	0	110.3	L360 L405 M419 L423 V458 K459 L510	L360-L407 HydrophobicContact CB-CD2 3.89Å; L360-L407 HydrophobicContact CD1-CD2 4.05Å; L360-L407 HydrophobicContact CD2-CD2 4.28Å; L360-L407 HydrophobicContact CG-CD2 4.3Å; L405-L407 HydrophobicContact CB-CD2 4.42Å; L405-L407 PolarHBondContact O-N 3.24Å; L407-M419 HydrophobicContact CD1-CE 4.27Å; L407-L423 HydrophobicContact CD1-CD1 4.29Å; L407-V458 HydrophobicContact CD1-CG1 3.47Å; L407-V458 VanDerWaalsContact CD1-CG1 3.47Å; L407-V458 HydrophobicContact CG-CG1 3.96Å; L407-K459 PolarHBondContact N-O 2.68Å; L407-K459 VanDerWaalsContact N-O 3.08Å; L407-L510 HydrophobicContact CD1-CD1 3.97Å
408	E	94.5	Very high	96	Very high	63 Å²	63	27.2 Å²	27.2	29%	0.294	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	105.2	163.2	-165.3	178.2	133.2	0	0	108.2	L360 D361 C362 H410	L360-E408 PolarHBondContact O-N 2.89Å; D361-E408 WeakPolarHBondContact OD1-CB 3.48Å; C362-E408 PolarHBondContact N-O 3.47Å; E408-H410 WeakPolarHBondContact CG-NE2 3.27Å; E408-H410 IonicContact OE1-CD2 2.63Å; E408-H410 IonicContact OE1-CE1 3.54Å; E408-H410 PolarHBondContact OE1-CE1 3.29Å; E408-H410 IonicContact OE1-NE2 3.62Å; E408-H410 PolarHBondContact OE1-NE2 3.08Å
409	N	93.1	Very high	96.2	Very high	29 Å²	29	25.1 Å²	25.1	16%	0.155	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.4	-166.2	174.7	31.5	0	0	0	112.2	C411 Q416 F479	N409-C411 WeakPolarHBondContact OD1-CB 3.11Å; N409-C411 PolarHBondContact OD1-N 3.4Å; N409-C411 VanDerWaalsContact OD1-N 3.07Å; N409-Q416 WeakPolarHBondContact ND2-CG 3.27Å; N409-Q416 PolarHBondContact ND2-NE2 2.73Å; N409-Q416 VanDerWaalsContact ND2-NE2 3.17Å; N409-Q416 PolarHBondContact ND2-OE1 2.86Å; N409-Q416 WeakPolarHBondContact OD1-CG 3.22Å; N409-F479 WeakPolarHBondContact O-CZ 3.41Å
410	H	93.9	Very high	96.2	Very high	40 Å²	40	25.1 Å²	25.1	19%	0.185	14%	0.138	C	C	.	.			trans	-118.6	10.4	175.2	-57.4	-79	0	0	0	112.8	C362 W363 E408 F479	C362-H410 WeakPolarHBondContact O-CA 3.47Å; C362-H410 WeakPolarHBondContact O-CB 3.44Å; C362-H410 PolarHBondContact O-N 3.15Å; W363-H410 HydrophobicContact CD2-CB 3.6Å; W363-H410 AromaticContact CD2-CG 3.98Å; W363-H410 AromaticContact CE2-CD2 3.34Å; W363-H410 AromaticContact CE2-CG 3.61Å; W363-H410 HydrophobicContact CE3-CB 3.55Å; W363-H410 HydrophobicContact CG-CB 4.23Å; W363-H410 HydrophobicContact CH2-CB 3.9Å; W363-H410 AromaticContact CH2-CG 3.64Å; W363-H410 AromaticContact CH2-ND1 3.75Å; W363-H410 HydrophobicContact CZ2-CB 3.93Å; W363-H410 AromaticContact CZ2-CD2 3.3Å; W363-H410 WeakPolarHBondContact CZ2-CD2 3.21Å; W363-H410 AromaticContact CZ2-CE1 3.82Å; W363-H410 AromaticContact CZ2-CG 3.41Å; W363-H410 VanDerWaalsContact CZ2-CG 3.41Å; W363-H410 AromaticContact CZ2-ND1 3.79Å; W363-H410 AromaticContact CZ2-NE2 3.56Å; W363-H410 HydrophobicContact CZ3-CB 3.72Å; W363-H410 AromaticContact NE1-CD2 3.56Å; E408-H410 WeakPolarHBondContact CG-NE2 3.27Å; E408-H410 IonicContact OE1-CD2 2.63Å; E408-H410 IonicContact OE1-CE1 3.54Å; E408-H410 PolarHBondContact OE1-CE1 3.29Å; E408-H410 IonicContact OE1-NE2 3.62Å; E408-H410 PolarHBondContact OE1-NE2 3.08Å; H410-F479 AromaticContact CE1-CD2 3.92Å; H410-F479 AromaticContact CE1-CE2 3.56Å; H410-F479 AromaticContact ND1-CE2 3.56Å
411	C	93.8	Very high	96.3	Very high	9 Å²	9	30 Å²	30	6%	0.061	16%	0.156	C	C	.	.			trans	-80	155.8	-177.7	-64.3	0	0	0	0	112.7	C362 W363 D364 N409 Q415 Q416 M419	C362-C411 PolarHBondContact O-SG 2.93Å; C362-C411 VanDerWaalsContact O-SG 3.37Å; W363-C411 PolarHBondContact N-SG 3.09Å; D364-C411 WeakPolarHBondContact OD1-CA 3.18Å; D364-C411 WeakPolarHBondContact OD1-CB 3.2Å; N409-C411 WeakPolarHBondContact OD1-CB 3.11Å; N409-C411 PolarHBondContact OD1-N 3.4Å; N409-C411 VanDerWaalsContact OD1-N 3.07Å; C411-Q415 HydrophobicContact CB-CB 4.03Å; C411-Q416 HydrophobicContact CB-CG 3.91Å; C411-Q416 PolarHBondContact O-NE2 3.01Å; C411-M419 HydrophobicContact CB-SD 4.06Å; C411-M419 VanDerWaalsContact SG-SD 3.63Å
412	S	94.8	Very high	96.3	Very high	36 Å²	36	30.7 Å²	30.7	25%	0.252	16%	0.159	S	C	.	.			trans	-61.1	161.2	167	93	0	0	0	0	111.5	D364 E414 Q415 Q416	D364-S412 VanDerWaalsContact CG-N 3.34Å; D364-S412 PolarHBondContact OD1-N 3.28Å; D364-S412 WeakPolarHBondContact OD2-CB 3.35Å; D364-S412 PolarHBondContact OD2-N 2.88Å; S412-E414 VanDerWaalsContact CB-OE2 3.28Å; S412-E414 WeakPolarHBondContact CB-OE2 3.46Å; S412-E414 PolarHBondContact O-N 3.34Å; S412-E414 PolarHBondContact OG-N 2.83Å; S412-E414 PolarHBondContact OG-OE2 3.03Å; S412-Q415 PolarHBondContact O-N 2.59Å; S412-Q415 PolarHBondContact OG-N 2.68Å; S412-Q416 WeakPolarHBondContact O-CB 3.19Å; S412-Q416 WeakPolarHBondContact O-CG 3.49Å; S412-Q416 PolarHBondContact O-N 3.21Å
413	V	94.5	Very high	96.4	Very high	54 Å²	54	30.7 Å²	30.7	33%	0.327	16%	0.159	S	C	.	.	H	α-helix	trans	-57	-39.6	178.3	176.3	0	0	0	0	111.1	Q416 A417 K505	V413-Q416 PolarHBondContact O-N 2.95Å; V413-A417 PolarHBondContact O-N 3.35Å; V413-A417 VanDerWaalsContact O-N 3.07Å; V413-K505 HydrophobicContact CG2-CB 3.98Å; V413-K505 WeakPolarHBondContact CG2-O 3.31Å
414	E	94.5	Very high	96.3	Very high	134 Å²	134	35.4 Å²	35.4	63%	0.626	18%	0.177	S	C	*	.	H	α-helix	trans	-64.4	-48.5	179.7	-57.4	73.9	-159.3	0	0	111	S412 Q416 A417 V418	S412-E414 VanDerWaalsContact CB-OE2 3.28Å; S412-E414 WeakPolarHBondContact CB-OE2 3.46Å; S412-E414 PolarHBondContact O-N 3.34Å; S412-E414 PolarHBondContact OG-N 2.83Å; S412-E414 PolarHBondContact OG-OE2 3.03Å; E414-Q416 VanDerWaalsContact C-N 3.34Å; E414-Q416 PolarHBondContact O-N 3.13Å; E414-A417 WeakPolarHBondContact O-CB 3.49Å; E414-A417 PolarHBondContact O-N 3.29Å; E414-V418 PolarHBondContact O-N 2.94Å
415	Q	95.9	Very high	96.3	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.093	21%	0.207	C	C	.	.	H	α-helix	trans	-70.9	-28.9	177.9	-67.4	-152.1	31.5	0	0	112.4	D364 G365 E369 P370 C411 S412 A417 V418 M419	D364-Q415 VanDerWaalsContact OD1-CB 3.29Å; D364-Q415 WeakPolarHBondContact OD1-CB 3.47Å; D364-Q415 VanDerWaalsContact OD1-CD 3.24Å; D364-Q415 WeakPolarHBondContact OD1-CG 3.41Å; G365-Q415 PolarHBondContact O-NE2 2.87Å; E369-Q415 PolarHBondContact O-OE1 2.95Å; P370-Q415 HydrophobicContact CG-CB 4.28Å; C411-Q415 HydrophobicContact CB-CB 4.03Å; S412-Q415 PolarHBondContact O-N 2.59Å; S412-Q415 PolarHBondContact OG-N 2.68Å; Q415-A417 VanDerWaalsContact C-N 3.33Å; Q415-A417 PolarHBondContact O-N 3.46Å; Q415-V418 CarbonylContact O-C 3.53Å; Q415-V418 WeakPolarHBondContact O-CA 3.43Å; Q415-V418 WeakPolarHBondContact O-CB 3.4Å; Q415-V418 PolarHBondContact O-N 2.78Å; Q415-V418 VanDerWaalsContact O-N 3.15Å; Q415-M419 WeakPolarHBondContact O-CG 3.39Å; Q415-M419 PolarHBondContact O-N 2.97Å
416	Q	96.2	Very high	96.3	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-37.6	170.2	-70.6	173.4	40.6	0	0	112.5	N409 C411 S412 V413 E414 V418 M419 A420 S507 L510	N409-Q416 WeakPolarHBondContact ND2-CG 3.27Å; N409-Q416 PolarHBondContact ND2-NE2 2.73Å; N409-Q416 VanDerWaalsContact ND2-NE2 3.17Å; N409-Q416 PolarHBondContact ND2-OE1 2.86Å; N409-Q416 WeakPolarHBondContact OD1-CG 3.22Å; C411-Q416 HydrophobicContact CB-CG 3.91Å; C411-Q416 PolarHBondContact O-NE2 3.01Å; S412-Q416 WeakPolarHBondContact O-CB 3.19Å; S412-Q416 WeakPolarHBondContact O-CG 3.49Å; S412-Q416 PolarHBondContact O-N 3.21Å; V413-Q416 PolarHBondContact O-N 2.95Å; E414-Q416 VanDerWaalsContact C-N 3.34Å; E414-Q416 PolarHBondContact O-N 3.13Å; Q416-V418 VanDerWaalsContact C-N 3.28Å; Q416-V418 PolarHBondContact O-N 2.89Å; Q416-M419 WeakPolarHBondContact O-CB 3.49Å; Q416-M419 PolarHBondContact O-N 3.07Å; Q416-A420 PolarHBondContact O-N 2.86Å; Q416-S507 VanDerWaalsContact CB-OG 3.26Å; Q416-S507 WeakPolarHBondContact CB-OG 3.4Å; Q416-S507 PolarHBondContact OE1-OG 3.05Å; Q416-L510 HydrophobicContact CB-CD2 4.09Å; Q416-L510 HydrophobicContact CG-CD2 4.06Å
417	A	96.1	Very high	96.3	Very high	32 Å²	32	41.8 Å²	41.8	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-36.4	173	0	0	0	0	0	111.1	V413 E414 Q415 A420 K421	V413-A417 PolarHBondContact O-N 3.35Å; V413-A417 VanDerWaalsContact O-N 3.07Å; E414-A417 WeakPolarHBondContact O-CB 3.49Å; E414-A417 PolarHBondContact O-N 3.29Å; Q415-A417 VanDerWaalsContact C-N 3.33Å; Q415-A417 PolarHBondContact O-N 3.46Å; A417-A420 PolarHBondContact O-N 3.07Å; A417-K421 WeakPolarHBondContact O-CB 3.44Å; A417-K421 PolarHBondContact O-N 3.42Å
418	V	97.4	Very high	96.3	Very high	38 Å²	38	42.8 Å²	42.8	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-44.1	171.9	179.2	0	0	0	0	111.4	P370 E414 Q415 Q416 A420 K421 H422	P370-V418 HydrophobicContact CG-CB 4.3Å; P370-V418 HydrophobicContact CG-CG1 4.19Å; E414-V418 PolarHBondContact O-N 2.94Å; Q415-V418 CarbonylContact O-C 3.53Å; Q415-V418 WeakPolarHBondContact O-CA 3.43Å; Q415-V418 WeakPolarHBondContact O-CB 3.4Å; Q415-V418 PolarHBondContact O-N 2.78Å; Q415-V418 VanDerWaalsContact O-N 3.15Å; Q416-V418 VanDerWaalsContact C-N 3.28Å; Q416-V418 PolarHBondContact O-N 2.89Å; V418-A420 VanDerWaalsContact C-N 3.34Å; V418-A420 PolarHBondContact O-N 3.13Å; V418-K421 WeakPolarHBondContact O-CB 3.19Å; V418-K421 PolarHBondContact O-N 3.27Å; V418-H422 WeakPolarHBondContact CG1-NE2 3.48Å; V418-H422 PolarHBondContact O-N 3.32Å
419	M	97.7	Very high	96.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.3	-48.6	173.6	-66.8	170.6	60.4	0	0	111.3	C362 P370 F384 L407 C411 Q415 Q416 K421 H422 L423 L510	C362-M419 HydrophobicContact CB-CE 3.5Å; C362-M419 HydrophobicContact CB-SD 3.84Å; C362-M419 WeakPolarHBondContact SG-CE 3.44Å; P370-M419 HydrophobicContact CB-CG 3.78Å; P370-M419 HydrophobicContact CG-CG 3.48Å; P370-M419 VanDerWaalsContact CG-CG 3.48Å; F384-M419 HydrophobicContact CD1-CG 4.4Å; F384-M419 HydrophobicContact CD2-CE 4.48Å; F384-M419 HydrophobicContact CE1-CB 4.04Å; F384-M419 HydrophobicContact CE1-CG 4.26Å; F384-M419 HydrophobicContact CE2-CE 3.89Å; F384-M419 HydrophobicContact CE2-CG 4.45Å; F384-M419 HydrophobicContact CZ-CB 4.12Å; F384-M419 HydrophobicContact CZ-CE 4.17Å; F384-M419 HydrophobicContact CZ-CG 4.3Å; L407-M419 HydrophobicContact CD1-CE 4.27Å; C411-M419 HydrophobicContact CB-SD 4.06Å; C411-M419 VanDerWaalsContact SG-SD 3.63Å; Q415-M419 WeakPolarHBondContact O-CG 3.39Å; Q415-M419 PolarHBondContact O-N 2.97Å; Q416-M419 WeakPolarHBondContact O-CB 3.49Å; Q416-M419 PolarHBondContact O-N 3.07Å; M419-K421 VanDerWaalsContact C-N 3.31Å; M419-K421 PolarHBondContact O-N 3.22Å; M419-H422 PolarHBondContact O-N 3.05Å; M419-L423 WeakPolarHBondContact O-CB 2.94Å; M419-L423 WeakPolarHBondContact O-CG 3.34Å; M419-L423 PolarHBondContact O-N 3.11Å; M419-L510 HydrophobicContact CE-CD2 4.35Å
420	A	97.3	Very high	96.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-40	179	0	0	0	0	0	111.8	Q416 A417 V418 R424 E509 L510 L513	Q416-A420 PolarHBondContact O-N 2.86Å; A417-A420 PolarHBondContact O-N 3.07Å; V418-A420 VanDerWaalsContact C-N 3.34Å; V418-A420 PolarHBondContact O-N 3.13Å; A420-R424 WeakPolarHBondContact O-CB 3.17Å; A420-R424 VanDerWaalsContact O-CG 3.32Å; A420-R424 WeakPolarHBondContact O-CG 3.49Å; A420-R424 PolarHBondContact O-N 3.04Å; A420-E509 HydrophobicContact CB-CB 3.74Å; A420-L510 HydrophobicContact CB-CB 4.35Å; A420-L510 HydrophobicContact CB-CD1 4.49Å; A420-L513 HydrophobicContact CB-CD1 4.05Å
421	K	97.8	Very high	96.7	Very high	141 Å²	141	49.2 Å²	49.2	61%	0.613	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-47.5	174.3	-178.1	-176.8	177.2	-175.9	0	111.8	A417 V418 M419 R424 T425	A417-K421 WeakPolarHBondContact O-CB 3.44Å; A417-K421 PolarHBondContact O-N 3.42Å; V418-K421 WeakPolarHBondContact O-CB 3.19Å; V418-K421 PolarHBondContact O-N 3.27Å; M419-K421 VanDerWaalsContact C-N 3.31Å; M419-K421 PolarHBondContact O-N 3.22Å; K421-R424 PolarHBondContact O-N 3.05Å; K421-T425 VanDerWaalsContact O-CB 3.28Å; K421-T425 WeakPolarHBondContact O-CB 3.48Å; K421-T425 PolarHBondContact O-N 2.93Å; K421-T425 PolarHBondContact O-OG1 2.77Å
422	H	98.3	Very high	96.6	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-47.1	177.7	-75.6	-35	0	0	0	111.4	E369 F384 V418 M419 R424 T425 I426	E369-H422 IonicContact OE1-CE1 3.2Å; E369-H422 IonicContact OE1-NE2 2.65Å; E369-H422 IonicContact OE2-CD2 2.67Å; E369-H422 IonicContact OE2-CE1 3.2Å; E369-H422 IonicContact OE2-NE2 3.85Å; E369-H422 PolarHBondContact OE2-NE2 3.45Å; F384-H422 HydrophobicContact CD1-CB 4.24Å; F384-H422 HydrophobicContact CE1-CB 4.04Å; V418-H422 WeakPolarHBondContact CG1-NE2 3.48Å; V418-H422 PolarHBondContact O-N 3.32Å; M419-H422 PolarHBondContact O-N 3.05Å; H422-R424 PolarHBondContact O-N 3.34Å; H422-T425 PolarHBondContact O-N 2.93Å; H422-I426 HydrophobicContact CB-CD1 3.96Å; H422-I426 VanDerWaalsContact O-CB 3.27Å; H422-I426 WeakPolarHBondContact O-CB 3.29Å; H422-I426 WeakPolarHBondContact O-CD1 3.32Å; H422-I426 VanDerWaalsContact O-CG1 3.28Å; H422-I426 WeakPolarHBondContact O-CG1 3.32Å; H422-I426 PolarHBondContact O-N 3.37Å
423	L	98.3	Very high	96.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.2	-50.3	175.9	-73.3	168.9	0	0	0	111.5	F384 I388 L405 L407 M419 L427 L431 V458 L510 L513	F384-L423 HydrophobicContact CE1-CG 4.22Å; F384-L423 HydrophobicContact CZ-CD1 4.24Å; F384-L423 HydrophobicContact CZ-CD2 4.11Å; F384-L423 HydrophobicContact CZ-CG 3.95Å; I388-L423 HydrophobicContact CD1-CD2 3.68Å; I388-L423 HydrophobicContact CG1-CD2 4.1Å; I388-L423 HydrophobicContact CG2-CD2 4.34Å; L405-L423 HydrophobicContact CD1-CD2 3.97Å; L407-L423 HydrophobicContact CD1-CD1 4.29Å; M419-L423 WeakPolarHBondContact O-CB 2.94Å; M419-L423 WeakPolarHBondContact O-CG 3.34Å; M419-L423 PolarHBondContact O-N 3.11Å; L423-L427 HydrophobicContact CD2-CD1 3.75Å; L423-L427 WeakPolarHBondContact O-CB 3.28Å; L423-L427 WeakPolarHBondContact O-CG 3.4Å; L423-L427 PolarHBondContact O-N 3.07Å; L423-L427 VanDerWaalsContact O-N 3.13Å; L423-L431 HydrophobicContact CB-CD2 3.98Å; L423-V458 HydrophobicContact CD1-CG2 4.44Å; L423-L510 HydrophobicContact CD1-CD1 4.19Å; L423-L513 HydrophobicContact CB-CD1 3.97Å; L423-L513 HydrophobicContact CD1-CD1 3.74Å
424	R	97.9	Very high	96	Very high	99 Å²	99	55 Å²	55	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-43.4	179.8	-70.7	179.6	-168.3	-136.7	5	112.3	A420 K421 H422 G428 L431 E509 E512 L513	A420-R424 WeakPolarHBondContact O-CB 3.17Å; A420-R424 VanDerWaalsContact O-CG 3.32Å; A420-R424 WeakPolarHBondContact O-CG 3.49Å; A420-R424 PolarHBondContact O-N 3.04Å; K421-R424 PolarHBondContact O-N 3.05Å; H422-R424 PolarHBondContact O-N 3.34Å; R424-G428 VanDerWaalsContact O-CA 3.3Å; R424-G428 WeakPolarHBondContact O-CA 3.1Å; R424-G428 PolarHBondContact O-N 3.13Å; R424-G428 VanDerWaalsContact O-N 3.12Å; R424-L431 HydrophobicContact CG-CD2 4.14Å; R424-E509 PolarHBondContact NH2-O 2.61Å; R424-E512 IonicContact CZ-OE2 3.42Å; R424-E512 IonicContact NH1-OE2 2.77Å; R424-E512 IonicContact NH2-OE2 2.61Å; R424-E512 PolarHBondContact NH2-OE2 3.13Å; R424-L513 HydrophobicContact CG-CD2 4.02Å
425	T	97.8	Very high	95.3	Very high	102 Å²	102	51.3 Å²	51.3	63%	0.626	26%	0.262	S	S	*	.	H	α-helix	trans	-73.5	-45.6	-173.7	-52.1	0	0	0	0	111.7	K421 H422	K421-T425 VanDerWaalsContact O-CB 3.28Å; K421-T425 WeakPolarHBondContact O-CB 3.48Å; K421-T425 PolarHBondContact O-N 2.93Å; K421-T425 PolarHBondContact O-OG1 2.77Å; H422-T425 PolarHBondContact O-N 2.93Å
426	I	98.3	Very high	93.9	Very high	29 Å²	29	54.5 Å²	54.5	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-81.5	-45.3	-172.3	-59.6	163.1	0	0	0	110.9	K385 I388 E389 N392 H422	K385-I426 HydrophobicContact CG-CD1 3.89Å; I388-I426 HydrophobicContact CB-CD1 4.11Å; I388-I426 HydrophobicContact CG2-CB 3.82Å; I388-I426 HydrophobicContact CG2-CD1 3.95Å; I388-I426 HydrophobicContact CG2-CG2 3.82Å; E389-I426 HydrophobicContact CG-CD1 4.16Å; E389-I426 HydrophobicContact CG-CG2 3.97Å; N392-I426 HydrophobicContact CB-CG2 3.96Å; N392-I426 VanDerWaalsContact CG-O 3.31Å; N392-I426 PolarHBondContact ND2-O 3.14Å; H422-I426 HydrophobicContact CB-CD1 3.96Å; H422-I426 VanDerWaalsContact O-CB 3.27Å; H422-I426 WeakPolarHBondContact O-CB 3.29Å; H422-I426 WeakPolarHBondContact O-CD1 3.32Å; H422-I426 VanDerWaalsContact O-CG1 3.28Å; H422-I426 WeakPolarHBondContact O-CG1 3.32Å; H422-I426 PolarHBondContact O-N 3.37Å
427	L	98	Very high	92.2	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-81	-24.5	-178.4	-55	-179.5	0	0	0	112	I388 I391 N392 L405 L423 K429 K430 L431 I456	I388-L427 HydrophobicContact CG2-CD1 4.29Å; I388-L427 HydrophobicContact CG2-CD2 3.72Å; I388-L427 HydrophobicContact CG2-CG 3.77Å; I391-L427 HydrophobicContact CG2-CD2 4.47Å; N392-L427 HydrophobicContact CB-CD2 3.86Å; L405-L427 HydrophobicContact CD1-CD1 4.18Å; L423-L427 HydrophobicContact CD2-CD1 3.75Å; L423-L427 WeakPolarHBondContact O-CB 3.28Å; L423-L427 WeakPolarHBondContact O-CG 3.4Å; L423-L427 PolarHBondContact O-N 3.07Å; L423-L427 VanDerWaalsContact O-N 3.13Å; L427-K429 PolarHBondContact O-N 2.98Å; L427-K430 VanDerWaalsContact O-CB 3.29Å; L427-K430 WeakPolarHBondContact O-CB 3.36Å; L427-K430 PolarHBondContact O-N 3.28Å; L427-L431 HydrophobicContact CB-CB 3.86Å; L427-L431 HydrophobicContact CD1-CB 4.36Å; L427-L431 HydrophobicContact CD1-CD1 4.2Å; L427-I456 HydrophobicContact CD1-CB 4.48Å; L427-I456 HydrophobicContact CD1-CD1 4.03Å; L427-I456 HydrophobicContact CD1-CG2 4.11Å; L427-I456 HydrophobicContact CD2-CD1 3.77Å; L427-I456 HydrophobicContact CG-CD1 4.32Å
428	G	96.5	Very high	90.2	Very high	37 Å²	37	63 Å²	63	38%	0.381	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	50.8	-124.9	176.1	0	0	0	0	0	112.2	R424 K430 L431	R424-G428 VanDerWaalsContact O-CA 3.3Å; R424-G428 WeakPolarHBondContact O-CA 3.1Å; R424-G428 PolarHBondContact O-N 3.13Å; R424-G428 VanDerWaalsContact O-N 3.12Å; G428-K430 PolarHBondContact O-N 3.41Å; G428-L431 PolarHBondContact O-N 3.38Å
429	K	94.4	Very high	87.8	Confident	190 Å²	190	66.4 Å²	66.4	83%	0.826	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66	-17.8	-179.3	-63.1	-178.1	-178.7	178.6	0	114.1	L427 L431 R455	L427-K429 PolarHBondContact O-N 2.98Å; K429-L431 VanDerWaalsContact C-N 3.32Å; K429-R455 PolarHBondContact O-NH1 3.34Å
430	K	96.9	Very high	85.4	Confident	69 Å²	69	70.4 Å²	70.4	30%	0.3	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-70.8	-33.1	176.8	-63.3	168.9	-179.4	168.3	0	110.7	N392 F396 L427 G428 L432 R455 I456	N392-K430 PolarHBondContact O-NZ 3.14Å; N392-K430 WeakPolarHBondContact OD1-CD 3.29Å; N392-K430 PolarHBondContact OD1-NZ 3.46Å; F396-K430 HydrophobicContact CD2-CD 4.28Å; F396-K430 HydrophobicContact CE2-CB 4.19Å; F396-K430 HydrophobicContact CE2-CD 3.97Å; F396-K430 HydrophobicContact CE2-CG 4.06Å; L427-K430 VanDerWaalsContact O-CB 3.29Å; L427-K430 WeakPolarHBondContact O-CB 3.36Å; L427-K430 PolarHBondContact O-N 3.28Å; G428-K430 PolarHBondContact O-N 3.41Å; K430-L432 PolarHBondContact O-N 3.43Å; K430-R455 CarbonylContact O-C 3.6Å; K430-R455 VanDerWaalsContact O-CA 3.28Å; K430-R455 WeakPolarHBondContact O-CA 3.41Å; K430-I456 HydrophobicContact CB-CD1 4.02Å; K430-I456 HydrophobicContact CB-CG1 4.21Å; K430-I456 PolarHBondContact O-N 3.28Å
431	L	97.5	Very high	83.3	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.037	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-70.8	127.5	178.3	-178.9	63.8	0	0	0	110.7	L423 R424 L427 G428 K429 T433 V458 L513	L423-L431 HydrophobicContact CB-CD2 3.98Å; R424-L431 HydrophobicContact CG-CD2 4.14Å; L427-L431 HydrophobicContact CB-CB 3.86Å; L427-L431 HydrophobicContact CD1-CB 4.36Å; L427-L431 HydrophobicContact CD1-CD1 4.2Å; G428-L431 PolarHBondContact O-N 3.38Å; K429-L431 VanDerWaalsContact C-N 3.32Å; L431-T433 HydrophobicContact CD2-CG2 3.99Å; L431-T433 HydrophobicContact CG-CG2 3.92Å; L431-T433 PolarHBondContact O-N 3.09Å; L431-V458 HydrophobicContact CD1-CG2 3.73Å; L431-L513 HydrophobicContact CD2-CD1 4.25Å; L431-L513 HydrophobicContact CD2-CD2 3.85Å
432	L	92.9	Very high	80.9	Confident	8 Å²	8	72.2 Å²	72.2	4%	0.042	38%	0.379	C	S	.	.			trans	-84.9	111.4	173.8	-172.3	71.2	0	0	0	109.9	K430 K434 F436 L452 I456 L457 Y516	K430-L432 PolarHBondContact O-N 3.43Å; L432-K434 WeakPolarHBondContact CD1-O 3.16Å; L432-F436 HydrophobicContact CD1-CD2 4.03Å; L432-F436 HydrophobicContact CD1-CE2 3.39Å; L432-F436 HydrophobicContact CD1-CZ 3.98Å; L432-F436 HydrophobicContact CD2-CE2 4.22Å; L432-F436 HydrophobicContact CG-CE2 4.46Å; L432-L452 HydrophobicContact CD2-CD2 4.16Å; L432-I456 PolarHBondContact N-O 3Å; L432-L457 HydrophobicContact CD2-CG 4.22Å; L432-Y516 HydrophobicContact CD2-CD2 3.51Å; L432-Y516 HydrophobicContact CD2-CE2 3.61Å
433	T	90.1	Very high	78.1	Confident	58 Å²	58	78 Å²	78	36%	0.356	41%	0.41	S	S	.	.			trans	-109.3	-12.1	-177.5	62.2	0	0	0	0	113.8	L431 L513	L431-T433 HydrophobicContact CD2-CG2 3.99Å; L431-T433 HydrophobicContact CG-CG2 3.92Å; L431-T433 PolarHBondContact O-N 3.09Å; T433-L513 HydrophobicContact CG2-CD2 3.78Å
434	K	85.7	Confident	75.4	Confident	155 Å²	155	79.4 Å²	79.4	67%	0.674	42%	0.418	S	S	*	.	S	Bend	trans	-142.8	152.7	-178.8	-65.8	-174.1	-179.8	-176.1	0	110.3	L432	L432-K434 WeakPolarHBondContact CD1-O 3.16Å
435	P	79.5	Confident	72.8	Confident	57 Å²	57	77.6 Å²	77.6	37%	0.37	42%	0.419	S	S	.	.			trans	-58.2	154.1	168.8	-21.9	33.3	0	0	0	112.3	S437 V515 Y516	P435-S437 VanDerWaalsContact C-N 3.34Å; P435-V515 HydrophobicContact CB-CG1 4.43Å; P435-V515 HydrophobicContact CG-CG1 3.84Å; P435-Y516 WeakPolarHBondContact CA-OH 3.42Å; P435-Y516 HydrophobicContact CB-CE1 4.37Å; P435-Y516 WeakPolarHBondContact CB-OH 3.41Å
436	F	68.3	Low	70.6	Confident	87 Å²	87	75.5 Å²	75.5	38%	0.382	41%	0.408	S	S	.	.	S	Bend	trans	-75.4	-16.4	179.5	-82	-93.6	0	0	0	114.5	L432 E451 L452 R455 Y516	L432-F436 HydrophobicContact CD1-CD2 4.03Å; L432-F436 HydrophobicContact CD1-CE2 3.39Å; L432-F436 HydrophobicContact CD1-CZ 3.98Å; L432-F436 HydrophobicContact CD2-CE2 4.22Å; L432-F436 HydrophobicContact CG-CE2 4.46Å; F436-E451 WeakPolarHBondContact CZ-O 3.13Å; F436-L452 HydrophobicContact CD2-CD2 4.22Å; F436-L452 HydrophobicContact CE2-CD2 3.53Å; F436-L452 HydrophobicContact CZ-CD2 4.33Å; F436-R455 HydrophobicContact CZ-CG 4.08Å; F436-Y516 HydrophobicContact CD2-CE2 4.35Å; F436-Y516 PolarHBondContact N-OH 3.07Å; F436-Y516 VanDerWaalsContact N-OH 3.1Å
437	S	59.4	Low	69	Low	44 Å²	44	75.3 Å²	75.3	31%	0.308	41%	0.408	S	S	.	.			trans	-143.3	155.8	175.7	65.8	0	0	0	0	112.5	P435 L439 L444	P435-S437 VanDerWaalsContact C-N 3.34Å; S437-L439 PolarHBondContact O-N 3.12Å; S437-L444 WeakPolarHBondContact OG-CD1 3.34Å; S437-L444 WeakPolarHBondContact OG-CD2 3.38Å; S437-L444 WeakPolarHBondContact OG-CG 3.07Å
438	D	54.3	Low	68	Low	178 Å²	178	77.9 Å²	77.9	95%	0.952	42%	0.419	S	S	*	.	S	Bend	trans	-82.4	8.9	177.6	-62.5	-42.3	0	0	0	113.2
439	L	47.1	Very low	67.3	Low	108 Å²	108	76.1 Å²	76.1	57%	0.565	40%	0.401	S	S	*	.	S	Bend	trans	-72.2	149.3	179.7	-75.6	165.3	0	0	0	110.9	S437 L441 L444	S437-L439 PolarHBondContact O-N 3.12Å; L439-L441 PolarHBondContact O-N 3.4Å; L439-L444 HydrophobicContact CB-CD1 3.46Å; L439-L444 VanDerWaalsContact CB-CD1 3.46Å; L439-L444 HydrophobicContact CB-CG 4.32Å; L439-L444 WeakPolarHBondContact O-CD1 3.42Å
440	P	47.7	Very low	66.7	Low	84 Å²	84	70.9 Å²	70.9	55%	0.545	38%	0.379	S	S	.	.			trans	-58.8	131.7	174.5	-18.5	30.5	0	0	0	110.3	N442 D443 L444	P440-N442 PolarHBondContact O-N 3.07Å; P440-D443 PolarHBondContact O-N 2.98Å; P440-L444 PolarHBondContact O-N 3.16Å
441	L	52	Low	66.1	Low	61 Å²	61	72.1 Å²	72.1	32%	0.319	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17	-175.5	-122	85.2	0	0	0	115	L439 D443 D534	L439-L441 PolarHBondContact O-N 3.4Å; L441-D443 VanDerWaalsContact C-N 3.29Å; L441-D534 HydrophobicContact CD2-CB 3.82Å; L441-D534 WeakPolarHBondContact CD2-OD2 3.17Å
442	N	47.8	Very low	65.6	Low	119 Å²	119	71.8 Å²	71.8	64%	0.636	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.2	174.9	-78.2	-21	0	0	0	113.3	P440 Q532	P440-N442 PolarHBondContact O-N 3.07Å; N442-Q532 VanDerWaalsContact OD1-CD 3.3Å; N442-Q532 PolarHBondContact OD1-NE2 2.94Å; N442-Q532 PolarHBondContact OD1-OE1 3.29Å
443	D	40.3	Very low	65.6	Low	141 Å²	141	77.3 Å²	77.3	75%	0.754	40%	0.404	S	S	*	.	S	Bend	trans	-125.1	10	-175.6	-72.2	-40.1	0	0	0	113.2	P440 L441	P440-D443 PolarHBondContact O-N 2.98Å; L441-D443 VanDerWaalsContact C-N 3.29Å
444	L	41.6	Very low	65.9	Low	31 Å²	31	75.8 Å²	75.8	16%	0.162	40%	0.4	C	S	.	.	S	Bend	trans	-71.5	140.4	167.9	-109.8	98.7	0	0	0	109.8	S437 L439 P440 S446	S437-L444 WeakPolarHBondContact OG-CD1 3.34Å; S437-L444 WeakPolarHBondContact OG-CD2 3.38Å; S437-L444 WeakPolarHBondContact OG-CG 3.07Å; L439-L444 HydrophobicContact CB-CD1 3.46Å; L439-L444 VanDerWaalsContact CB-CD1 3.46Å; L439-L444 HydrophobicContact CB-CG 4.32Å; L439-L444 WeakPolarHBondContact O-CD1 3.42Å; P440-L444 PolarHBondContact O-N 3.16Å; L444-S446 PolarHBondContact O-N 3.33Å
445	P	42.3	Very low	66.4	Low	60 Å²	60	72 Å²	72	39%	0.39	38%	0.382	S	S	.	.			trans	-63.8	109.8	169.1	28.3	-30.3	0	0	0	107.6	L447 F448	P445-L447 PolarHBondContact O-N 2.86Å; P445-F448 HydrophobicContact CB-CD2 4.16Å; P445-F448 HydrophobicContact CB-CE2 3.35Å; P445-F448 HydrophobicContact CB-CZ 3.72Å; P445-F448 HydrophobicContact CG-CD2 4.37Å; P445-F448 HydrophobicContact CG-CE2 3.84Å
446	S	52.4	Low	67.3	Low	58 Å²	58	69.3 Å²	69.3	41%	0.406	36%	0.364	S	S	.	.			trans	8.7	91	139.7	58.1	0	0	0	0	112.9	P319 L444 F448	P319-S446 WeakPolarHBondContact CA-O 3.19Å; P319-S446 VanDerWaalsContact CB-CB 3.49Å; P319-S446 WeakPolarHBondContact CB-O 3.31Å; P319-S446 WeakPolarHBondContact CG-OG 3.21Å; L444-S446 PolarHBondContact O-N 3.33Å; S446-F448 PolarHBondContact O-N 3.28Å
447	L	65.1	Low	68.6	Low	26 Å²	26	65.4 Å²	65.4	14%	0.136	35%	0.347	C	S	.	.			trans	-40.5	108.2	-165.2	-70	152.3	0	0	0	112.8	P319 L320 P445 L449 L452 Y516	P319-L447 CarbonylContact C-O 3.13Å; P319-L447 WeakPolarHBondContact CA-O 3.4Å; L320-L447 PolarHBondContact N-O 3.38Å; P445-L447 PolarHBondContact O-N 2.86Å; L447-L449 PolarHBondContact O-N 3.27Å; L447-L452 HydrophobicContact CB-CD1 4.23Å; L447-Y516 VanDerWaalsContact CD1-CB 3.46Å; L447-Y516 HydrophobicContact CD1-CD1 3.33Å; L447-Y516 HydrophobicContact CD1-CD2 3.55Å; L447-Y516 HydrophobicContact CD1-CE1 3.8Å; L447-Y516 HydrophobicContact CD1-CE2 4.01Å; L447-Y516 HydrophobicContact CD1-CG 3.17Å; L447-Y516 HydrophobicContact CD2-CD1 4.09Å; L447-Y516 HydrophobicContact CD2-CD2 3.78Å; L447-Y516 HydrophobicContact CD2-CE1 3.64Å; L447-Y516 HydrophobicContact CD2-CE2 3.31Å; L447-Y516 HydrophobicContact CD2-CG 4.13Å; L447-Y516 WeakPolarHBondContact CD2-OH 3.35Å; L447-Y516 HydrophobicContact CG-CD1 4.15Å; L447-Y516 HydrophobicContact CG-CD2 4.27Å; L447-Y516 HydrophobicContact CG-CE1 4.1Å; L447-Y516 HydrophobicContact CG-CE2 4.25Å; L447-Y516 HydrophobicContact CG-CG 4.21Å
448	F	77.4	Confident	70.4	Confident	58 Å²	58	63.4 Å²	63.4	25%	0.254	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-70.2	129	-176.9	-63.4	-61.2	0	0	0	109.5	T317 R318 P319 P445 S446 Q450 E451	T317-F448 WeakPolarHBondContact O-CD1 3.45Å; T317-F448 WeakPolarHBondContact O-CE1 3.28Å; T317-F448 WeakPolarHBondContact O-CG 3.02Å; R318-F448 WeakPolarHBondContact O-CA 3.42Å; P319-F448 HydrophobicContact CG-CD1 4.26Å; P319-F448 HydrophobicContact CG-CE1 4.12Å; P445-F448 HydrophobicContact CB-CD2 4.16Å; P445-F448 HydrophobicContact CB-CE2 3.35Å; P445-F448 HydrophobicContact CB-CZ 3.72Å; P445-F448 HydrophobicContact CG-CD2 4.37Å; P445-F448 HydrophobicContact CG-CE2 3.84Å; S446-F448 PolarHBondContact O-N 3.28Å; F448-Q450 PolarHBondContact O-N 3.04Å; F448-Q450 VanDerWaalsContact O-N 3.12Å; F448-E451 HydrophobicContact CB-CG 4.15Å; F448-E451 WeakPolarHBondContact O-CB 3.36Å; F448-E451 PolarHBondContact O-N 3.05Å
449	L	81.2	Confident	72.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-54.8	-36.8	-174.4	179.8	68.3	0	0	0	112.1	M316 R318 L320 Y323 Y401 P402 L447 E451 L452 Y619	M316-L449 HydrophobicContact CE-CD2 3.42Å; M316-L449 VanDerWaalsContact CE-CD2 3.42Å; M316-L449 HydrophobicContact SD-CD2 4.41Å; R318-L449 PolarHBondContact O-N 3.25Å; L320-L449 HydrophobicContact CD1-CD1 3.74Å; Y323-L449 HydrophobicContact CD1-CD2 3.97Å; Y323-L449 HydrophobicContact CD2-CB 4.3Å; Y323-L449 HydrophobicContact CD2-CD2 3.92Å; Y323-L449 HydrophobicContact CE1-CD2 3.81Å; Y323-L449 HydrophobicContact CE2-CB 3.72Å; Y323-L449 HydrophobicContact CE2-CD2 3.73Å; Y323-L449 HydrophobicContact CE2-CG 4.33Å; Y323-L449 HydrophobicContact CG-CD2 4.04Å; Y401-L449 HydrophobicContact CD1-CD2 4.12Å; Y401-L449 HydrophobicContact CD1-CG 3.93Å; P402-L449 HydrophobicContact CG-CD1 3.53Å; L447-L449 PolarHBondContact O-N 3.27Å; L449-E451 VanDerWaalsContact C-N 3.32Å; L449-E451 PolarHBondContact O-N 3.25Å; L449-L452 PolarHBondContact O-N 3.07Å; L449-Y619 HydrophobicContact CD1-CD1 3.73Å; L449-Y619 HydrophobicContact CD1-CD2 4.22Å; L449-Y619 HydrophobicContact CD1-CE1 3.54Å; L449-Y619 HydrophobicContact CD1-CE2 4.03Å; L449-Y619 HydrophobicContact CD1-CG 4.09Å; L449-Y619 HydrophobicContact CD2-CD1 3.87Å; L449-Y619 HydrophobicContact CD2-CD2 4.33Å; L449-Y619 HydrophobicContact CD2-CG 3.77Å; L449-Y619 HydrophobicContact CG-CD1 4.49Å
450	Q	80.4	Confident	74.6	Confident	79 Å²	79	51.1 Å²	51.1	37%	0.369	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.4	-35.8	177.6	-171.5	67.1	9.5	0	0	113.7	M316 F448 L452 R453	M316-Q450 WeakPolarHBondContact O-CB 3.45Å; M316-Q450 PolarHBondContact O-N 2.87Å; M316-Q450 VanDerWaalsContact O-N 3.09Å; F448-Q450 PolarHBondContact O-N 3.04Å; F448-Q450 VanDerWaalsContact O-N 3.12Å; Q450-L452 PolarHBondContact O-N 2.81Å; Q450-R453 WeakPolarHBondContact O-CB 3.12Å; Q450-R453 PolarHBondContact O-N 3.33Å
451	E	84.3	Confident	76.5	Confident	95 Å²	95	52.5 Å²	52.5	44%	0.444	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-71.1	-24.6	-178.8	-63	177.1	167.5	0	0	111.9	F436 F448 L449 R453	F436-E451 WeakPolarHBondContact CZ-O 3.13Å; F448-E451 HydrophobicContact CB-CG 4.15Å; F448-E451 WeakPolarHBondContact O-CB 3.36Å; F448-E451 PolarHBondContact O-N 3.05Å; L449-E451 VanDerWaalsContact C-N 3.32Å; L449-E451 PolarHBondContact O-N 3.25Å; E451-R453 VanDerWaalsContact C-N 3.3Å; E451-R453 PolarHBondContact O-N 3.16Å
452	L	88.6	Confident	78.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-88.9	7.8	179.6	-61.5	-179.9	0	0	0	113.2	L320 P402 L432 F436 L447 L449 Q450 G454 R455 L457	L320-L452 HydrophobicContact CD2-CD1 4.33Å; P402-L452 HydrophobicContact CB-CB 3.82Å; P402-L452 WeakPolarHBondContact CB-O 3.09Å; P402-L452 WeakPolarHBondContact CD-O 3.48Å; P402-L452 HydrophobicContact CG-CB 3.59Å; P402-L452 HydrophobicContact CG-CD1 4.33Å; L432-L452 HydrophobicContact CD2-CD2 4.16Å; F436-L452 HydrophobicContact CD2-CD2 4.22Å; F436-L452 HydrophobicContact CE2-CD2 3.53Å; F436-L452 HydrophobicContact CZ-CD2 4.33Å; L447-L452 HydrophobicContact CB-CD1 4.23Å; L449-L452 PolarHBondContact O-N 3.07Å; Q450-L452 PolarHBondContact O-N 2.81Å; L452-G454 PolarHBondContact O-N 2.95Å; L452-R455 VanDerWaalsContact O-CB 3.24Å; L452-R455 WeakPolarHBondContact O-CB 3.45Å; L452-R455 WeakPolarHBondContact O-CG 3.39Å; L452-R455 PolarHBondContact O-N 3.32Å; L452-L457 HydrophobicContact CD1-CD1 4.48Å; L452-L457 HydrophobicContact CD1-CD2 4.23Å
453	R	92.9	Very high	79.5	Confident	125 Å²	125	53.1 Å²	53.1	47%	0.472	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.7	178.8	-166.4	-179.9	176.4	130.4	-1.6	110.8	P400 Q450 E451 R455	P400-R453 HydrophobicContact CB-CG 4Å; P400-R453 WeakPolarHBondContact O-CG 3.22Å; Q450-R453 WeakPolarHBondContact O-CB 3.12Å; Q450-R453 PolarHBondContact O-N 3.33Å; E451-R453 VanDerWaalsContact C-N 3.3Å; E451-R453 PolarHBondContact O-N 3.16Å; R453-R455 PolarHBondContact O-N 3.27Å
454	G	95.3	Very high	80.4	Confident	26 Å²	26	52 Å²	52	27%	0.268	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	12.7	-177.4	0	0	0	0	0	114.9	F396 P400 L452	F396-G454 WeakPolarHBondContact CE2-O 3.42Å; F396-G454 WeakPolarHBondContact CZ-O 3.38Å; P400-G454 PolarHBondContact O-N 3.03Å; L452-G454 PolarHBondContact O-N 2.95Å
455	R	96.2	Very high	80.3	Confident	76 Å²	76	55.8 Å²	55.8	29%	0.287	29%	0.285	S	S	.	.			trans	-103.3	147.1	178.8	-56.5	-58.8	-160	173.3	8.5	112.9	F396 P402 L403 K429 K430 F436 L452 R453	F396-R455 WeakPolarHBondContact CZ-O 3.46Å; P402-R455 WeakPolarHBondContact CA-O 3.16Å; L403-R455 PolarHBondContact N-O 2.96Å; K429-R455 PolarHBondContact O-NH1 3.34Å; K430-R455 CarbonylContact O-C 3.6Å; K430-R455 VanDerWaalsContact O-CA 3.28Å; K430-R455 WeakPolarHBondContact O-CA 3.41Å; F436-R455 HydrophobicContact CZ-CG 4.08Å; L452-R455 VanDerWaalsContact O-CB 3.24Å; L452-R455 WeakPolarHBondContact O-CB 3.45Å; L452-R455 WeakPolarHBondContact O-CG 3.39Å; L452-R455 PolarHBondContact O-N 3.32Å; R453-R455 PolarHBondContact O-N 3.27Å
456	I	98.1	Very high	80.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.5	174.6	-57.4	177.4	0	0	0	107.7	I391 A395 F396 L403 L405 L427 K430 L432	I391-I456 HydrophobicContact CG2-CD1 4.32Å; A395-I456 HydrophobicContact CB-CD1 4.15Å; F396-I456 HydrophobicContact CE2-CD1 4.22Å; F396-I456 HydrophobicContact CE2-CG1 3.95Å; F396-I456 HydrophobicContact CZ-CD1 4.38Å; F396-I456 HydrophobicContact CZ-CG1 3.65Å; L403-I456 HydrophobicContact CB-CG1 4.35Å; L403-I456 CarbonylContact O-C 3.6Å; L403-I456 VanDerWaalsContact O-CA 3.28Å; L403-I456 WeakPolarHBondContact O-CA 3.3Å; L405-I456 HydrophobicContact CD1-CG2 3.67Å; L405-I456 HydrophobicContact CD2-CG2 4.2Å; L405-I456 HydrophobicContact CG-CG2 3.59Å; L427-I456 HydrophobicContact CD1-CB 4.48Å; L427-I456 HydrophobicContact CD1-CD1 4.03Å; L427-I456 HydrophobicContact CD1-CG2 4.11Å; L427-I456 HydrophobicContact CD2-CD1 3.77Å; L427-I456 HydrophobicContact CG-CD1 4.32Å; K430-I456 HydrophobicContact CB-CD1 4.02Å; K430-I456 HydrophobicContact CB-CG1 4.21Å; K430-I456 PolarHBondContact O-N 3.28Å; L432-I456 PolarHBondContact N-O 3Å
457	L	96.5	Very high	79.6	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.2	179.9	-65.7	81	0	0	0	109.3	P402 L403 I404 L405 L432 L452 Y516	P402-L457 HydrophobicContact CB-CD1 3.6Å; L403-L457 PolarHBondContact O-N 3.28Å; I404-L457 HydrophobicContact CG1-CB 4.42Å; L405-L457 PolarHBondContact N-O 2.81Å; L432-L457 HydrophobicContact CD2-CG 4.22Å; L452-L457 HydrophobicContact CD1-CD1 4.48Å; L452-L457 HydrophobicContact CD1-CD2 4.23Å; L457-Y516 HydrophobicContact CD2-CD2 4.49Å
458	V	97.3	Very high	78.1	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.2	173.2	178.6	0	0	0	0	109.1	L407 L423 L431 L513 V514	L407-V458 HydrophobicContact CD1-CG1 3.47Å; L407-V458 VanDerWaalsContact CD1-CG1 3.47Å; L407-V458 HydrophobicContact CG-CG1 3.96Å; L423-V458 HydrophobicContact CD1-CG2 4.44Å; L431-V458 HydrophobicContact CD1-CG2 3.73Å; V458-L513 HydrophobicContact CB-CB 4.39Å; V458-L513 HydrophobicContact CG2-CB 4.27Å; V458-V514 HydrophobicContact CG1-CG2 4.2Å
459	K	96.2	Very high	76	Confident	17 Å²	17	74 Å²	74	7%	0.074	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.3	170.1	175.3	-114.7	173.9	176.8	0	108.9	I404 L405 S406 L407 C517 S519 M536 S538	I404-K459 HydrophobicContact CG2-CB 3.9Å; L405-K459 PolarHBondContact O-N 2.9Å; S406-K459 VanDerWaalsContact OG-CD 3.29Å; S406-K459 WeakPolarHBondContact OG-CD 3.44Å; S406-K459 PolarHBondContact OG-NZ 3.2Å; S406-K459 VanDerWaalsContact OG-NZ 3.1Å; L407-K459 PolarHBondContact N-O 2.68Å; L407-K459 VanDerWaalsContact N-O 3.08Å; K459-C517 WeakPolarHBondContact CA-O 3.31Å; K459-C517 HydrophobicContact CB-CB 3.64Å; K459-C517 HydrophobicContact CG-CB 4.04Å; K459-S519 VanDerWaalsContact CE-OG 3.24Å; K459-S519 WeakPolarHBondContact CE-OG 3.47Å; K459-M536 HydrophobicContact CD-SD 4.33Å; K459-M536 HydrophobicContact CG-SD 3.77Å; K459-S538 PolarHBondContact NZ-OG 2.82Å; K459-S538 VanDerWaalsContact NZ-OG 3.14Å
460	G	93.2	Very high	73.7	Confident	10 Å²	10	81.7 Å²	81.7	10%	0.103	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-173.1	-177.4	0	0	0	0	0	112.6	V514 C517 S519	G460-V514 WeakPolarHBondContact O-CG1 3.4Å; G460-C517 PolarHBondContact N-O 3.36Å; G460-S519 WeakPolarHBondContact O-CB 3.45Å; G460-S519 PolarHBondContact O-N 3.22Å; G460-S519 PolarHBondContact O-OG 3.24Å
461	K	88.4	Confident	71.3	Confident	114 Å²	114	81.4 Å²	81.4	50%	0.496	44%	0.443	S	S	.	.			trans	-79	150.2	173.9	-67.4	178.5	-179.8	171	0	110.3	L506	K461-L506 HydrophobicContact CB-CD2 4.04Å; K461-L506 WeakPolarHBondContact O-CD2 3.27Å
462	R	85.4	Confident	68.8	Low	103 Å²	103	86.7 Å²	86.7	39%	0.389	46%	0.464	S	S	.	.			trans	-130.2	141.8	175.3	-170.6	-178.2	177.8	156.8	-9.2	110.2	T464 S511 V514 K518	R462-T464 PolarHBondContact O-N 3Å; R462-S511 WeakPolarHBondContact CA-OG 3.31Å; R462-S511 WeakPolarHBondContact CG-OG 3.46Å; R462-V514 HydrophobicContact CB-CB 4.28Å; R462-V514 HydrophobicContact CB-CG1 4.31Å; R462-V514 WeakPolarHBondContact CD-O 3.18Å; R462-V514 PolarHBondContact NH1-O 2.94Å; R462-K518 HydrophobicContact CB-CG 4.37Å; R462-K518 VanDerWaalsContact CD-CE 3.44Å
463	H	77	Confident	66.1	Low	90 Å²	90	94.8 Å²	94.8	42%	0.417	51%	0.508	S	S	.	.			trans	-65.7	126.1	167.8	-75.9	-62.8	0	0	0	110.5	P465 L506 S511	H463-P465 VanDerWaalsContact O-CD 3.29Å; H463-P465 WeakPolarHBondContact O-CD 3.28Å; H463-L506 PolarHBondContact NE2-O 2.95Å; H463-S511 PolarHBondContact N-OG 2.86Å
464	T	58.6	Low	63	Low	116 Å²	116	91.7 Å²	91.7	71%	0.712	52%	0.515	S	S	*	.			trans	-92.8	109.8	169.9	23.4	0	0	0	0	109.8	R462 H466	R462-T464 PolarHBondContact O-N 3Å; T464-H466 PolarHBondContact O-N 3.13Å
465	P	40.6	Very low	59.7	Low	112 Å²	112	95.6 Å²	95.6	73%	0.727	54%	0.538	S	S	*	.	S	Bend	trans	-73.5	121.9	163.5	29.2	-28.2	0	0	0	107.5	H463	H463-P465 VanDerWaalsContact O-CD 3.29Å; H463-P465 WeakPolarHBondContact O-CD 3.28Å
466	H	39.6	Very low	56.6	Low	178 Å²	178	101.6 Å²	101.6	82%	0.824	57%	0.566	S	S	*	*			trans	91	82.1	-175.2	-62.2	-83.3	0	0	0	117.4	T464	T464-H466 PolarHBondContact O-N 3.13Å
467	L	38.7	Very low	53.1	Low	148 Å²	148	107.5 Å²	107.5	78%	0.775	60%	0.603	S	S	*	*			trans	-157.3	52.6	135.3	-132.4	95.9	0	0	0	110.7	Q469	L467-Q469 PolarHBondContact O-N 2.94Å
468	G	33.2	Very low	49.8	Very low	83 Å²	83	111.9 Å²	111.9	86%	0.856	63%	0.633	S	S	*	*	S	Bend	trans	-74.8	-1.8	177.6	0	0	0	0	0	115.1
469	Q	34	Very low	46.6	Very low	176 Å²	176	116.5 Å²	116.5	82%	0.822	65%	0.654	S	S	*	*	S	Bend	trans	-147	83.8	179.1	-75.2	-179.7	-6	0	0	109.6	L467	L467-Q469 PolarHBondContact O-N 2.94Å
470	L	32.6	Very low	43.2	Very low	160 Å²	160	119.9 Å²	119.9	84%	0.838	68%	0.679	S	S	*	*	S	Bend	trans	-174.5	117.7	136.2	-116	90.5	0	0	0	108
471	G	30.1	Very low	40.4	Very low	74 Å²	74	123.4 Å²	123.4	76%	0.763	70%	0.702	S	S	*	*			trans	91.1	76.3	164.4	0	0	0	0	0	116.5	N473	G471-N473 VanDerWaalsContact C-N 3.29Å; G471-N473 PolarHBondContact O-N 2.83Å
472	K	33.3	Very low	37.5	Very low	205 Å²	205	121.8 Å²	121.8	89%	0.891	71%	0.705	S	S	*	*	S	Bend	trans	-54.8	100.3	142.3	-82.2	176.4	175	174.6	0	106.9
473	N	31.9	Very low	35.5	Very low	171 Å²	171	122.6 Å²	122.6	91%	0.914	73%	0.727	S	S	*	*			trans	163.3	81.4	154.3	-81.5	-6.2	0	0	0	108.6	G471	G471-N473 VanDerWaalsContact C-N 3.29Å; G471-N473 PolarHBondContact O-N 2.83Å
474	G	26.7	Very low	33.4	Very low	60 Å²	60	126.8 Å²	126.8	62%	0.619	75%	0.747	S	S	*	*			trans	-159.6	99.6	172.3	0	0	0	0	0	108.1	F476	G474-F476 PolarHBondContact O-N 2.89Å
475	S	26.1	Very low	32.1	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	75%	0.747	S	S	*	*			trans	-51.9	120.9	172.6	-174	0	0	0	0	109.2	T477	S475-T477 PolarHBondContact O-N 3.04Å; S475-T477 VanDerWaalsContact O-N 3.09Å
476	F	30.6	Very low	31.6	Very low	202 Å²	202	130.3 Å²	130.3	89%	0.886	76%	0.755	S	S	*	*			trans	-72.2	94.5	166.7	-85.7	-93.8	0	0	0	107.1	G474	G474-F476 PolarHBondContact O-N 2.89Å
477	T	24.6	Very low	31.2	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	76%	0.759	S	S	*	*			trans	-80.6	117.5	166	51.2	0	0	0	0	108.5	S475	S475-T477 PolarHBondContact O-N 3.04Å; S475-T477 VanDerWaalsContact O-N 3.09Å
478	S	26.8	Very low	30.8	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	76%	0.761	S	S	*	*			trans	-58.4	137.6	166.5	42.3	0	0	0	0	109.8	S480	S478-S480 VanDerWaalsContact C-N 3.27Å; S478-S480 PolarHBondContact O-N 3.18Å
479	F	30.4	Very low	30.5	Very low	101 Å²	101	129.9 Å²	129.9	44%	0.443	76%	0.763	S	S	.	*			trans	-71.5	90.2	163.2	60	-74.3	0	0	0	106.6	N409 H410	N409-F479 WeakPolarHBondContact O-CZ 3.41Å; H410-F479 AromaticContact CE1-CD2 3.92Å; H410-F479 AromaticContact CE1-CE2 3.56Å; H410-F479 AromaticContact ND1-CE2 3.56Å
480	S	25.5	Very low	30.6	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	76%	0.759	S	S	*	*			trans	-97.6	115.8	156.1	-82	0	0	0	0	106.2	S478 S482	S478-S480 VanDerWaalsContact C-N 3.27Å; S478-S480 PolarHBondContact O-N 3.18Å; S480-S482 PolarHBondContact O-N 3.34Å
481	S	35.2	Very low	30.4	Very low	84 Å²	84	127.4 Å²	127.4	59%	0.587	75%	0.754	S	S	*	*			trans	-70.9	71.9	157.5	60.9	0	0	0	0	107.9
482	S	27.6	Very low	30.4	Very low	80 Å²	80	132.4 Å²	132.4	56%	0.559	76%	0.755	S	S	*	*			trans	-111.7	115.8	166.7	52.5	0	0	0	0	107.8	S480 E484	S480-S482 PolarHBondContact O-N 3.34Å; S482-E484 PolarHBondContact O-N 3.07Å
483	S	43	Very low	30.1	Very low	120 Å²	120	129.5 Å²	129.5	84%	0.839	75%	0.749	S	S	*	*			trans	-56	109.4	168.7	41.8	0	0	0	0	111
484	E	31.5	Very low	29.9	Very low	179 Å²	179	128.2 Å²	128.2	84%	0.836	75%	0.748	S	S	*	*			trans	-142	92.8	162.1	-67.1	-164.8	162.3	0	0	109.5	S482	S482-E484 PolarHBondContact O-N 3.07Å
485	D	32.5	Very low	30.6	Very low	136 Å²	136	130.7 Å²	130.7	73%	0.727	75%	0.753	S	S	*	*			trans	-96.1	105.6	151.7	-84.2	-43.1	0	0	0	105.7	Q573	D485-Q573 PolarHBondContact OD2-NE2 3.39Å
486	D	29.1	Very low	30.8	Very low	165 Å²	165	135.3 Å²	135.3	88%	0.882	76%	0.76	S	S	*	*			trans	-152.3	129	158.9	-135.7	-5.9	0	0	0	111.9
487	Q	32.2	Very low	30.5	Very low	195 Å²	195	130.9 Å²	130.9	91%	0.911	75%	0.753	S	S	*	*			trans	-100.9	123.8	172.2	-87.7	-171.9	40.8	0	0	110.1
488	G	29.7	Very low	31.1	Very low	80 Å²	80	133.4 Å²	133.4	83%	0.825	76%	0.762	S	S	*	*			trans	105.9	105.4	142.8	0	0	0	0	0	117.6
489	S	27.2	Very low	31.1	Very low	126 Å²	126	134.3 Å²	134.3	88%	0.881	77%	0.769	S	S	*	*				177.1	148.4	123.3	-170	0	0	0	0	111.6
490	I	35.9	Very low	31.2	Very low	146 Å²	146	134 Å²	134	75%	0.749	79%	0.785	S	S	*	*			trans	-91.8	129.8	-174.8	-65.8	166	0	0	0	110.2
491	N	28	Very low	31.6	Very low	138 Å²	138	139.7 Å²	139.7	74%	0.738	80%	0.799	S	S	*	*				170.8	127.2	126.3	-95.3	-40.7	0	0	0	116.7
492	K	30.2	Very low	31.5	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	81%	0.812	S	S	*	*			trans	42.2	121.5	139.3	-71.7	-178.2	178.6	175.6	0	124.4
493	N	28.4	Very low	31.7	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	81%	0.812	S	S	*	*			trans	53.8	114	130.9	-70.1	-1.5	0	0	0	122
494	T	26	Very low	32.1	Very low	144 Å²	144	141.9 Å²	141.9	88%	0.883	81%	0.807	S	S	*	*				-179.9	158.8	113.5	27.6	0	0	0	0	111.9
495	P	41.9	Very low	34.1	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	80%	0.796	S	S	*	*			trans	-109.7	163.7	-158	39.5	-30.9	0	0	0	116.9
496	K	30.2	Very low	36.6	Very low	204 Å²	204	135.1 Å²	135.1	89%	0.887	77%	0.769	S	S	*	*			trans	93.4	118.4	162.7	-63.4	-177	175.7	179.3	0	118.6
497	S	24.5	Very low	39.6	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	73%	0.727	S	S	*	*				-169.2	132.1	99.2	70.8	0	0	0	0	111.2	S499	S497-S499 PolarHBondContact O-N 2.78Å
498	D	37.8	Very low	42.3	Very low	178 Å²	178	121.4 Å²	121.4	95%	0.952	71%	0.706	S	S	*	*			trans	-53.9	122.5	170.7	-70.3	-58.7	0	0	0	111.8
499	S	27.1	Very low	45.3	Very low	114 Å²	114	121.8 Å²	121.8	80%	0.797	69%	0.687	S	S	*	*			trans	-132.4	140.3	158.1	60.1	0	0	0	0	109.3	S497	S497-S499 PolarHBondContact O-N 2.78Å
500	A	32.4	Very low	48.4	Very low	95 Å²	95	116.1 Å²	116.1	79%	0.785	65%	0.647	S	S	*	*			trans	-53.5	133.9	-156.6	0	0	0	0	0	115.3	V502	A500-V502 PolarHBondContact O-N 3.39Å
501	K	32.7	Very low	51.1	Low	207 Å²	207	109.5 Å²	109.5	90%	0.9	61%	0.613	S	S	*	*			trans	-54	107.7	162.8	-82.5	175.2	173.5	172	0	110.1	C503	K501-C503 PolarHBondContact O-N 3.32Å
502	V	33.9	Very low	54.2	Low	142 Å²	142	108.1 Å²	108.1	86%	0.861	60%	0.602	S	S	*	*			trans	-66.4	113.9	164.9	177.1	0	0	0	0	108.1	A500 S504	A500-V502 PolarHBondContact O-N 3.39Å; V502-S504 PolarHBondContact O-N 3.11Å
503	C	32.6	Very low	57.2	Low	83 Å²	83	99.7 Å²	99.7	56%	0.561	57%	0.566	S	S	*	*			trans	-78.4	100.2	-176.7	-170.9	0	0	0	0	109.6	K501 K505	K501-C503 PolarHBondContact O-N 3.32Å; C503-K505 VanDerWaalsContact C-N 3.28Å; C503-K505 PolarHBondContact O-N 3.2Å; C503-K505 VanDerWaalsContact SG-CD 3.51Å; C503-K505 WeakPolarHBondContact SG-CE 3.12Å; C503-K505 VanDerWaalsContact SG-CG 3.6Å
504	S	50.5	Low	60.3	Low	105 Å²	105	93 Å²	93	73%	0.734	53%	0.53	S	S	*	.			trans	-78.7	75.2	173.3	55.8	0	0	0	0	111	V502	V502-S504 PolarHBondContact O-N 3.11Å
505	K	72.8	Confident	63.3	Low	141 Å²	141	86.4 Å²	86.4	61%	0.613	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-92.9	122	169	-75.3	176.1	-178.4	177.1	0	108.6	V413 C503	V413-K505 HydrophobicContact CG2-CB 3.98Å; V413-K505 WeakPolarHBondContact CG2-O 3.31Å; C503-K505 VanDerWaalsContact C-N 3.28Å; C503-K505 PolarHBondContact O-N 3.2Å; C503-K505 VanDerWaalsContact SG-CD 3.51Å; C503-K505 WeakPolarHBondContact SG-CE 3.12Å; C503-K505 VanDerWaalsContact SG-CG 3.6Å
506	L	85.8	Confident	65.4	Low	31 Å²	31	81.7 Å²	81.7	16%	0.162	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-72.6	135.5	170.6	175.1	70.8	0	0	0	108.6	K461 H463	K461-L506 HydrophobicContact CB-CD2 4.04Å; K461-L506 WeakPolarHBondContact O-CD2 3.27Å; H463-L506 PolarHBondContact NE2-O 2.95Å
507	S	90.9	Very high	68.4	Low	0 Å²	0	72 Å²	72	0%	0	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.3	175	66.5	0	0	0	0	111.1	Q416 E509 L510 S511	Q416-S507 VanDerWaalsContact CB-OG 3.26Å; Q416-S507 WeakPolarHBondContact CB-OG 3.4Å; Q416-S507 PolarHBondContact OE1-OG 3.05Å; S507-E509 PolarHBondContact O-N 2.98Å; S507-L510 PolarHBondContact O-N 2.85Å; S507-L510 WeakPolarHBondContact OG-CB 3.48Å; S507-L510 PolarHBondContact OG-N 2.81Å; S507-S511 WeakPolarHBondContact O-CB 3.18Å; S507-S511 PolarHBondContact O-N 3.14Å
508	P	90.9	Very high	71.7	Confident	73 Å²	73	68.8 Å²	68.8	47%	0.474	39%	0.387	S	S	.	.	H	α-helix	trans	-55.1	-40.7	172.5	-25.6	34.5	0	0	0	112.5	L510 S511 E512	P508-L510 PolarHBondContact O-N 2.84Å; P508-S511 WeakPolarHBondContact O-CB 3.37Å; P508-S511 PolarHBondContact O-N 3.1Å; P508-E512 WeakPolarHBondContact O-CG 3.4Å; P508-E512 PolarHBondContact O-N 3.38Å
509	E	92.7	Very high	74.3	Confident	87 Å²	87	61.9 Å²	61.9	41%	0.407	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-41	-175.1	-63.1	79.5	-179.4	0	0	112.4	A420 R424 S507	A420-E509 HydrophobicContact CB-CB 3.74Å; R424-E509 PolarHBondContact NH2-O 2.61Å; S507-E509 PolarHBondContact O-N 2.98Å
510	L	92.3	Very high	77.5	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-76.6	-39.3	175.9	-172	62.4	0	0	0	111.2	L407 Q416 M419 A420 L423 S507 P508 E512 L513	L407-L510 HydrophobicContact CD1-CD1 3.97Å; Q416-L510 HydrophobicContact CB-CD2 4.09Å; Q416-L510 HydrophobicContact CG-CD2 4.06Å; M419-L510 HydrophobicContact CE-CD2 4.35Å; A420-L510 HydrophobicContact CB-CB 4.35Å; A420-L510 HydrophobicContact CB-CD1 4.49Å; L423-L510 HydrophobicContact CD1-CD1 4.19Å; S507-L510 PolarHBondContact O-N 2.85Å; S507-L510 WeakPolarHBondContact OG-CB 3.48Å; S507-L510 PolarHBondContact OG-N 2.81Å; P508-L510 PolarHBondContact O-N 2.84Å; L510-E512 VanDerWaalsContact C-N 3.28Å; L510-E512 PolarHBondContact O-N 3.49Å; L510-L513 HydrophobicContact CD1-CD1 4.35Å; L510-L513 WeakPolarHBondContact O-CB 3.49Å; L510-L513 PolarHBondContact O-N 3.31Å; L510-L513 VanDerWaalsContact O-N 3.11Å
511	S	92.6	Very high	80.3	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-38.3	176.5	177.5	0	0	0	0	112.5	R462 H463 S507 P508 L513 V514	R462-S511 WeakPolarHBondContact CA-OG 3.31Å; R462-S511 WeakPolarHBondContact CG-OG 3.46Å; H463-S511 PolarHBondContact N-OG 2.86Å; S507-S511 WeakPolarHBondContact O-CB 3.18Å; S507-S511 PolarHBondContact O-N 3.14Å; P508-S511 WeakPolarHBondContact O-CB 3.37Å; P508-S511 PolarHBondContact O-N 3.1Å; S511-L513 PolarHBondContact O-N 3.12Å; S511-V514 PolarHBondContact O-N 3.32Å
512	E	92.1	Very high	83.2	Confident	109 Å²	109	51.3 Å²	51.3	51%	0.509	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.1	177.5	-78.2	177.2	-177.2	0	0	113.7	R424 P508 L510 V514	R424-E512 IonicContact CZ-OE2 3.42Å; R424-E512 IonicContact NH1-OE2 2.77Å; R424-E512 IonicContact NH2-OE2 2.61Å; R424-E512 PolarHBondContact NH2-OE2 3.13Å; P508-E512 WeakPolarHBondContact O-CG 3.4Å; P508-E512 PolarHBondContact O-N 3.38Å; L510-E512 VanDerWaalsContact C-N 3.28Å; L510-E512 PolarHBondContact O-N 3.49Å; E512-V514 PolarHBondContact O-N 3.5Å
513	L	93.9	Very high	86	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-16.1	179	-59.4	-176.9	0	0	0	112.6	A420 L423 R424 L431 T433 V458 L510 S511 V515	A420-L513 HydrophobicContact CB-CD1 4.05Å; L423-L513 HydrophobicContact CB-CD1 3.97Å; L423-L513 HydrophobicContact CD1-CD1 3.74Å; R424-L513 HydrophobicContact CG-CD2 4.02Å; L431-L513 HydrophobicContact CD2-CD1 4.25Å; L431-L513 HydrophobicContact CD2-CD2 3.85Å; T433-L513 HydrophobicContact CG2-CD2 3.78Å; V458-L513 HydrophobicContact CB-CB 4.39Å; V458-L513 HydrophobicContact CG2-CB 4.27Å; L510-L513 HydrophobicContact CD1-CD1 4.35Å; L510-L513 WeakPolarHBondContact O-CB 3.49Å; L510-L513 PolarHBondContact O-N 3.31Å; L510-L513 VanDerWaalsContact O-N 3.11Å; S511-L513 PolarHBondContact O-N 3.12Å; L513-V515 PolarHBondContact O-N 3.22Å
514	V	92.6	Very high	88.9	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	27%	0.273	C	S	.	.			trans	-85.8	94.7	179.2	-175.2	0	0	0	0	109.7	V458 G460 R462 S511 E512 K518	V458-V514 HydrophobicContact CG1-CG2 4.2Å; G460-V514 WeakPolarHBondContact O-CG1 3.4Å; R462-V514 HydrophobicContact CB-CB 4.28Å; R462-V514 HydrophobicContact CB-CG1 4.31Å; R462-V514 WeakPolarHBondContact CD-O 3.18Å; R462-V514 PolarHBondContact NH1-O 2.94Å; S511-V514 PolarHBondContact O-N 3.32Å; E512-V514 PolarHBondContact O-N 3.5Å; V514-K518 HydrophobicContact CG1-CB 4.31Å; V514-K518 HydrophobicContact CG1-CG 3.87Å
515	V	89	Confident	90.9	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	24%	0.243	C	C	.	.	S	Bend	trans	-91.5	-71.8	-179.2	-170.7	0	0	0	0	110.9	P435 L513 K518	P435-V515 HydrophobicContact CB-CG1 4.43Å; P435-V515 HydrophobicContact CG-CG1 3.84Å; L513-V515 PolarHBondContact O-N 3.22Å; V515-K518 WeakPolarHBondContact O-CE 3.4Å
516	Y	87.2	Confident	91.8	Very high	13 Å²	13	47.4 Å²	47.4	5%	0.051	24%	0.244	C	C	.	.	S	Bend	trans	-108.5	-5.5	-167.6	-63.6	-56.2	0	0	0	115.7	L432 P435 F436 L447 L457 D534	L432-Y516 HydrophobicContact CD2-CD2 3.51Å; L432-Y516 HydrophobicContact CD2-CE2 3.61Å; P435-Y516 WeakPolarHBondContact CA-OH 3.42Å; P435-Y516 HydrophobicContact CB-CE1 4.37Å; P435-Y516 WeakPolarHBondContact CB-OH 3.41Å; F436-Y516 HydrophobicContact CD2-CE2 4.35Å; F436-Y516 PolarHBondContact N-OH 3.07Å; F436-Y516 VanDerWaalsContact N-OH 3.1Å; L447-Y516 VanDerWaalsContact CD1-CB 3.46Å; L447-Y516 HydrophobicContact CD1-CD1 3.33Å; L447-Y516 HydrophobicContact CD1-CD2 3.55Å; L447-Y516 HydrophobicContact CD1-CE1 3.8Å; L447-Y516 HydrophobicContact CD1-CE2 4.01Å; L447-Y516 HydrophobicContact CD1-CG 3.17Å; L447-Y516 HydrophobicContact CD2-CD1 4.09Å; L447-Y516 HydrophobicContact CD2-CD2 3.78Å; L447-Y516 HydrophobicContact CD2-CE1 3.64Å; L447-Y516 HydrophobicContact CD2-CE2 3.31Å; L447-Y516 HydrophobicContact CD2-CG 4.13Å; L447-Y516 WeakPolarHBondContact CD2-OH 3.35Å; L447-Y516 HydrophobicContact CG-CD1 4.15Å; L447-Y516 HydrophobicContact CG-CD2 4.27Å; L447-Y516 HydrophobicContact CG-CE1 4.1Å; L447-Y516 HydrophobicContact CG-CE2 4.25Å; L447-Y516 HydrophobicContact CG-CG 4.21Å; L457-Y516 HydrophobicContact CD2-CD2 4.49Å; Y516-D534 CarbonylContact C-O 3.6Å; Y516-D534 HydrophobicContact CD1-CB 4.33Å; Y516-D534 WeakPolarHBondContact O-CA 3.4Å; Y516-D534 VanDerWaalsContact O-O 3.06Å
517	C	91.8	Very high	92	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	56.2	-179	-59.2	0	0	0	0	110.3	K459 G460 S519	K459-C517 WeakPolarHBondContact CA-O 3.31Å; K459-C517 HydrophobicContact CB-CB 3.64Å; K459-C517 HydrophobicContact CG-CB 4.04Å; G460-C517 PolarHBondContact N-O 3.36Å; C517-S519 PolarHBondContact O-N 2.97Å
518	K	93.3	Very high	91.9	Very high	40 Å²	40	48.6 Å²	48.6	17%	0.174	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.6	-178.9	-61.7	172	-176.4	171	0	109.7	R462 V514 V515 D534 E535 M536	R462-K518 HydrophobicContact CB-CG 4.37Å; R462-K518 VanDerWaalsContact CD-CE 3.44Å; V514-K518 HydrophobicContact CG1-CB 4.31Å; V514-K518 HydrophobicContact CG1-CG 3.87Å; V515-K518 WeakPolarHBondContact O-CE 3.4Å; K518-D534 WeakPolarHBondContact CB-O 3.35Å; K518-D534 WeakPolarHBondContact CD-OD2 3.44Å; K518-D534 WeakPolarHBondContact CE-OD2 3.05Å; K518-D534 PolarHBondContact N-O 2.78Å; K518-D534 IonicContact NZ-OD1 2.78Å; K518-D534 IonicContact NZ-OD2 3.85Å; K518-D534 PolarHBondContact NZ-OD2 3.21Å; K518-E535 HydrophobicContact CB-CG 4.25Å; K518-E535 HydrophobicContact CD-CG 4.35Å; K518-E535 CarbonylContact O-C 3.53Å; K518-E535 WeakPolarHBondContact O-CA 3.17Å; K518-M536 PolarHBondContact O-N 3.05Å
519	S	93.1	Very high	91.8	Very high	33 Å²	33	48.1 Å²	48.1	23%	0.231	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.5	-179.6	-59.2	0	0	0	0	110.8	K459 G460 C517	K459-S519 VanDerWaalsContact CE-OG 3.24Å; K459-S519 WeakPolarHBondContact CE-OG 3.47Å; G460-S519 WeakPolarHBondContact O-CB 3.45Å; G460-S519 PolarHBondContact O-N 3.22Å; G460-S519 PolarHBondContact O-OG 3.24Å; C517-S519 PolarHBondContact O-N 2.97Å
520	V	93.6	Very high	91.5	Very high	41 Å²	41	50.8 Å²	50.8	25%	0.248	26%	0.263	C	S	.	.			trans	-126.8	153.8	177.8	-64.5	0	0	0	0	110.7	L531 E535 M536	V520-L531 HydrophobicContact CG2-CD1 3.88Å; V520-E535 HydrophobicContact CG1-CB 4.11Å; V520-E535 HydrophobicContact CG1-CG 4.06Å; V520-E535 HydrophobicContact CG2-CB 4.01Å; V520-M536 WeakPolarHBondContact CG2-O 3.16Å; V520-M536 PolarHBondContact N-O 3.28Å
521	S	91.8	Very high	91.3	Very high	96 Å²	96	52.7 Å²	52.7	67%	0.671	27%	0.274	S	S	*	.			trans	-74.1	129.6	174.9	-58.4	0	0	0	0	110.6
522	F	93.7	Very high	90.9	Very high	57 Å²	57	55.5 Å²	55.5	25%	0.25	29%	0.286	C	S	.	.			trans	-72.2	128.3	174.1	-174.8	-104.3	0	0	0	110.8	G524 F525 A528 F539 L547	F522-G524 VanDerWaalsContact CZ-C 3.49Å; F522-F525 AromaticContact CE2-CD1 3.84Å; F522-F525 HydrophobicContact CE2-CD1 3.84Å; F522-F525 AromaticContact CE2-CE1 3.92Å; F522-F525 HydrophobicContact CE2-CE1 3.92Å; F522-F525 HydrophobicContact CE2-CG 4.43Å; F522-F525 AromaticContact CZ-CD1 3.71Å; F522-F525 HydrophobicContact CZ-CD1 3.71Å; F522-F525 HydrophobicContact CZ-CD2 4.2Å; F522-F525 AromaticContact CZ-CE1 3.67Å; F522-F525 HydrophobicContact CZ-CE1 3.67Å; F522-F525 HydrophobicContact CZ-CE2 4.18Å; F522-F525 AromaticContact CZ-CG 3.97Å; F522-F525 HydrophobicContact CZ-CG 3.97Å; F522-F525 AromaticContact CZ-CZ 3.92Å; F522-F525 HydrophobicContact CZ-CZ 3.92Å; F522-A528 HydrophobicContact CD2-CB 4.33Å; F522-A528 HydrophobicContact CE2-CB 4.08Å; F522-F539 HydrophobicContact CB-CE1 3.87Å; F522-F539 HydrophobicContact CB-CZ 4.16Å; F522-F539 AromaticContact CD1-CE1 3.61Å; F522-F539 HydrophobicContact CD1-CE1 3.61Å; F522-F539 HydrophobicContact CD1-CZ 4.32Å; F522-F539 AromaticContact CD2-CE1 3.84Å; F522-F539 HydrophobicContact CD2-CE1 3.84Å; F522-F539 AromaticContact CD2-CZ 3.68Å; F522-F539 HydrophobicContact CD2-CZ 3.68Å; F522-F539 HydrophobicContact CE1-CE1 4.02Å; F522-F539 HydrophobicContact CE2-CE1 4.23Å; F522-F539 HydrophobicContact CE2-CZ 4.08Å; F522-F539 AromaticContact CG-CE1 3.49Å; F522-F539 HydrophobicContact CG-CE1 3.49Å; F522-F539 VanDerWaalsContact CG-CE1 3.49Å; F522-F539 AromaticContact CG-CZ 3.8Å; F522-F539 HydrophobicContact CG-CZ 3.8Å; F522-F539 HydrophobicContact CZ-CE1 4.3Å; F522-L547 HydrophobicContact CE1-CD1 4.12Å
523	R	92.9	Very high	90.6	Very high	203 Å²	203	52.7 Å²	52.7	77%	0.766	28%	0.281	S	S	*	.			trans	-127.4	34.2	179.3	-60.6	-175	-177.2	-174.6	1.2	112	S527	R523-S527 PolarHBondContact O-OG 2.87Å
524	G	93.3	Very high	90.2	Very high	27 Å²	27	53 Å²	53	28%	0.278	28%	0.283	S	S	.	.			trans	91.8	158.7	-174.6	0	0	0	0	0	113.7	F522 E526 S527 A528	F522-G524 VanDerWaalsContact CZ-C 3.49Å; G524-E526 VanDerWaalsContact C-N 3.31Å; G524-E526 PolarHBondContact O-N 3.26Å; G524-S527 PolarHBondContact O-N 2.8Å; G524-A528 PolarHBondContact O-N 2.88Å
525	F	93.1	Very high	90.1	Very high	23 Å²	23	54.4 Å²	54.4	10%	0.101	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-29.5	-174	-65.7	-64.7	0	0	0	113.9	F522 A528 S529 L547 L553 L556 F557 H560	F522-F525 AromaticContact CE2-CD1 3.84Å; F522-F525 HydrophobicContact CE2-CD1 3.84Å; F522-F525 AromaticContact CE2-CE1 3.92Å; F522-F525 HydrophobicContact CE2-CE1 3.92Å; F522-F525 HydrophobicContact CE2-CG 4.43Å; F522-F525 AromaticContact CZ-CD1 3.71Å; F522-F525 HydrophobicContact CZ-CD1 3.71Å; F522-F525 HydrophobicContact CZ-CD2 4.2Å; F522-F525 AromaticContact CZ-CE1 3.67Å; F522-F525 HydrophobicContact CZ-CE1 3.67Å; F522-F525 HydrophobicContact CZ-CE2 4.18Å; F522-F525 AromaticContact CZ-CG 3.97Å; F522-F525 HydrophobicContact CZ-CG 3.97Å; F522-F525 AromaticContact CZ-CZ 3.92Å; F522-F525 HydrophobicContact CZ-CZ 3.92Å; F525-A528 PolarHBondContact O-N 3Å; F525-S529 WeakPolarHBondContact O-CB 3.4Å; F525-S529 PolarHBondContact O-N 3.07Å; F525-L547 HydrophobicContact CE2-CD2 4.14Å; F525-L547 HydrophobicContact CZ-CD1 4.16Å; F525-L553 HydrophobicContact CD2-CD2 4.15Å; F525-L553 HydrophobicContact CE2-CB 4.08Å; F525-L553 HydrophobicContact CE2-CD2 4.33Å; F525-L556 HydrophobicContact CB-CB 4.13Å; F525-L556 HydrophobicContact CB-CD1 4.33Å; F525-L556 HydrophobicContact CD1-CB 4.38Å; F525-L556 HydrophobicContact CD2-CB 3.61Å; F525-L556 HydrophobicContact CD2-CD1 4.14Å; F525-L556 HydrophobicContact CE2-CB 4.1Å; F525-L556 HydrophobicContact CG-CB 3.77Å; F525-F557 HydrophobicContact CE1-CB 3.93Å; F525-F557 AromaticContact CE1-CD2 3.77Å; F525-F557 HydrophobicContact CE1-CD2 3.77Å; F525-F557 HydrophobicContact CE1-CE2 4.5Å; F525-F557 AromaticContact CE1-CG 3.95Å; F525-F557 HydrophobicContact CE1-CG 3.95Å; F525-F557 HydrophobicContact CE2-CB 4.43Å; F525-F557 HydrophobicContact CZ-CB 3.54Å; F525-F557 HydrophobicContact CZ-CD1 4.21Å; F525-F557 AromaticContact CZ-CD2 3.95Å; F525-F557 HydrophobicContact CZ-CD2 3.95Å; F525-F557 AromaticContact CZ-CG 3.65Å; F525-F557 HydrophobicContact CZ-CG 3.65Å; F525-H560 HydrophobicContact CD1-CB 3.76Å; F525-H560 HydrophobicContact CE1-CB 3.85Å
526	E	91.4	Very high	90.3	Very high	136 Å²	136	54.1 Å²	54.1	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-69.9	-38.7	176.5	-160.8	-151.6	135.9	0	0	112.2	G524 S529 K530	G524-E526 VanDerWaalsContact C-N 3.31Å; G524-E526 PolarHBondContact O-N 3.26Å; E526-S529 PolarHBondContact O-OG 3.36Å; E526-K530 WeakPolarHBondContact O-CE 3.4Å; E526-K530 IonicContact OE1-NZ 2.78Å; E526-K530 PolarHBondContact OE1-NZ 3.23Å
527	S	90.9	Very high	90.7	Very high	55 Å²	55	53.5 Å²	53.5	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-67.7	-44	173.1	-58	0	0	0	0	110.3	R523 G524 S529 K530	R523-S527 PolarHBondContact O-OG 2.87Å; G524-S527 PolarHBondContact O-N 2.8Å; S527-S529 VanDerWaalsContact C-N 3.35Å; S527-S529 PolarHBondContact O-N 2.9Å; S527-K530 PolarHBondContact O-N 3.47Å
528	A	88.9	Confident	90.9	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-32.9	-179.3	0	0	0	0	0	113.1	F522 G524 F525 K530 L531 Q564	F522-A528 HydrophobicContact CD2-CB 4.33Å; F522-A528 HydrophobicContact CE2-CB 4.08Å; G524-A528 PolarHBondContact O-N 2.88Å; F525-A528 PolarHBondContact O-N 3Å; A528-K530 PolarHBondContact O-N 2.85Å; A528-L531 VanDerWaalsContact O-CB 3.25Å; A528-L531 WeakPolarHBondContact O-CB 3.39Å; A528-L531 PolarHBondContact O-N 3.04Å; A528-Q564 PolarHBondContact O-OE1 3.43Å; A528-Q564 VanDerWaalsContact O-OE1 3.07Å
529	S	87	Confident	91.1	Very high	63 Å²	63	53.7 Å²	53.7	44%	0.441	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-22.2	179.5	70.7	0	0	0	0	113.8	F525 E526 S527 R563	F525-S529 WeakPolarHBondContact O-CB 3.4Å; F525-S529 PolarHBondContact O-N 3.07Å; E526-S529 PolarHBondContact O-OG 3.36Å; S527-S529 VanDerWaalsContact C-N 3.35Å; S527-S529 PolarHBondContact O-N 2.9Å; S529-R563 PolarHBondContact O-NH1 2.96Å
530	K	88.1	Confident	91.4	Very high	142 Å²	142	53.1 Å²	53.1	62%	0.617	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.6	177	-59.5	168.2	-169.5	166.8	0	112.7	E526 S527 A528	E526-K530 WeakPolarHBondContact O-CE 3.4Å; E526-K530 IonicContact OE1-NZ 2.78Å; E526-K530 PolarHBondContact OE1-NZ 3.23Å; S527-K530 PolarHBondContact O-N 3.47Å; A528-K530 PolarHBondContact O-N 2.85Å
531	L	86.4	Confident	91.5	Very high	49 Å²	49	51.6 Å²	51.6	26%	0.257	28%	0.277	S	S	.	.	S	Bend	trans	-81.7	163.1	-179.7	-65.1	-174.7	0	0	0	112.1	V520 A528 E535	V520-L531 HydrophobicContact CG2-CD1 3.88Å; A528-L531 VanDerWaalsContact O-CB 3.25Å; A528-L531 WeakPolarHBondContact O-CB 3.39Å; A528-L531 PolarHBondContact O-N 3.04Å; L531-E535 WeakPolarHBondContact CA-OE2 3.11Å; L531-E535 HydrophobicContact CB-CB 4.45Å; L531-E535 WeakPolarHBondContact CB-OE2 3.5Å; L531-E535 WeakPolarHBondContact CD2-OE2 3.21Å
532	Q	85.8	Confident	91.7	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	27%	0.265	S	S	.	.			trans	-77.1	156.5	178.9	-66	-65.5	-36.4	0	0	111.5	N442 D534 E535 Q564	N442-Q532 VanDerWaalsContact OD1-CD 3.3Å; N442-Q532 PolarHBondContact OD1-NE2 2.94Å; N442-Q532 PolarHBondContact OD1-OE1 3.29Å; Q532-D534 WeakPolarHBondContact CB-OD1 3.39Å; Q532-D534 PolarHBondContact O-N 3.27Å; Q532-E535 HydrophobicContact CB-CG 4.26Å; Q532-E535 PolarHBondContact N-OE2 3.46Å; Q532-E535 WeakPolarHBondContact O-CB 3.32Å; Q532-E535 PolarHBondContact O-N 3.48Å; Q532-E535 VanDerWaalsContact O-N 3.13Å; Q532-Q564 PolarHBondContact O-NE2 3.37Å; Q532-Q564 VanDerWaalsContact O-NE2 3.07Å
533	A	84.8	Confident	91.8	Very high	50 Å²	50	53 Å²	53	41%	0.413	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.2	-178	0	0	0	0	0	113.5	E535	A533-E535 VanDerWaalsContact C-N 3.3Å
534	D	85.1	Confident	92	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.9	176	68.9	-22	0	0	0	113.7	L441 Y516 K518 Q532	L441-D534 HydrophobicContact CD2-CB 3.82Å; L441-D534 WeakPolarHBondContact CD2-OD2 3.17Å; Y516-D534 CarbonylContact C-O 3.6Å; Y516-D534 HydrophobicContact CD1-CB 4.33Å; Y516-D534 WeakPolarHBondContact O-CA 3.4Å; Y516-D534 VanDerWaalsContact O-O 3.06Å; K518-D534 WeakPolarHBondContact CB-O 3.35Å; K518-D534 WeakPolarHBondContact CD-OD2 3.44Å; K518-D534 WeakPolarHBondContact CE-OD2 3.05Å; K518-D534 PolarHBondContact N-O 2.78Å; K518-D534 IonicContact NZ-OD1 2.78Å; K518-D534 IonicContact NZ-OD2 3.85Å; K518-D534 PolarHBondContact NZ-OD2 3.21Å; Q532-D534 WeakPolarHBondContact CB-OD1 3.39Å; Q532-D534 PolarHBondContact O-N 3.27Å
535	E	90.6	Very high	92	Very high	32 Å²	32	43.4 Å²	43.4	15%	0.15	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.6	170.7	-63.4	179.3	132.6	0	0	110.2	K518 V520 L531 Q532 A533 Q564	K518-E535 HydrophobicContact CB-CG 4.25Å; K518-E535 HydrophobicContact CD-CG 4.35Å; K518-E535 CarbonylContact O-C 3.53Å; K518-E535 WeakPolarHBondContact O-CA 3.17Å; V520-E535 HydrophobicContact CG1-CB 4.11Å; V520-E535 HydrophobicContact CG1-CG 4.06Å; V520-E535 HydrophobicContact CG2-CB 4.01Å; L531-E535 WeakPolarHBondContact CA-OE2 3.11Å; L531-E535 HydrophobicContact CB-CB 4.45Å; L531-E535 WeakPolarHBondContact CB-OE2 3.5Å; L531-E535 WeakPolarHBondContact CD2-OE2 3.21Å; Q532-E535 HydrophobicContact CB-CG 4.26Å; Q532-E535 PolarHBondContact N-OE2 3.46Å; Q532-E535 WeakPolarHBondContact O-CB 3.32Å; Q532-E535 PolarHBondContact O-N 3.48Å; Q532-E535 VanDerWaalsContact O-N 3.13Å; A533-E535 VanDerWaalsContact C-N 3.3Å; E535-Q564 PolarHBondContact O-NE2 3.49Å; E535-Q564 VanDerWaalsContact O-NE2 3.07Å
536	M	93.8	Very high	92.1	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.4	-172.3	76.9	129	-54.8	0	0	111.7	K459 K518 V520 L565 R567 M592	K459-M536 HydrophobicContact CD-SD 4.33Å; K459-M536 HydrophobicContact CG-SD 3.77Å; K518-M536 PolarHBondContact O-N 3.05Å; V520-M536 WeakPolarHBondContact CG2-O 3.16Å; V520-M536 PolarHBondContact N-O 3.28Å; M536-L565 WeakPolarHBondContact CA-O 3.33Å; M536-L565 HydrophobicContact CB-CB 3.85Å; M536-L565 VanDerWaalsContact CB-O 3.28Å; M536-L565 WeakPolarHBondContact CB-O 3.17Å; M536-R567 HydrophobicContact CE-CB 3.84Å; M536-M592 HydrophobicContact CE-CE 3.99Å; M536-M592 HydrophobicContact SD-CE 3.78Å
537	S	95.6	Very high	92.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.5	-178.5	-66.5	0	0	0	0	111.9	L565 S566 R567	S537-L565 PolarHBondContact N-O 3.45Å; S537-S566 WeakPolarHBondContact O-CA 3.37Å; S537-R567 PolarHBondContact O-N 2.65Å
538	S	96.6	Very high	92.2	Very high	40 Å²	40	42.6 Å²	42.6	28%	0.28	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.7	171.8	-56.1	0	0	0	0	109.4	K459 R567	K459-S538 PolarHBondContact NZ-OG 2.82Å; K459-S538 VanDerWaalsContact NZ-OG 3.14Å; S538-R567 CarbonylContact C-O 3.51Å; S538-R567 WeakPolarHBondContact CA-O 3.4Å
539	F	97.5	Very high	92.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139	-175.9	-54.7	-95.8	0	0	0	109.7	F522 A544 L547 F557 R567 I568 Y569	F522-F539 HydrophobicContact CB-CE1 3.87Å; F522-F539 HydrophobicContact CB-CZ 4.16Å; F522-F539 AromaticContact CD1-CE1 3.61Å; F522-F539 HydrophobicContact CD1-CE1 3.61Å; F522-F539 HydrophobicContact CD1-CZ 4.32Å; F522-F539 AromaticContact CD2-CE1 3.84Å; F522-F539 HydrophobicContact CD2-CE1 3.84Å; F522-F539 AromaticContact CD2-CZ 3.68Å; F522-F539 HydrophobicContact CD2-CZ 3.68Å; F522-F539 HydrophobicContact CE1-CE1 4.02Å; F522-F539 HydrophobicContact CE2-CE1 4.23Å; F522-F539 HydrophobicContact CE2-CZ 4.08Å; F522-F539 AromaticContact CG-CE1 3.49Å; F522-F539 HydrophobicContact CG-CE1 3.49Å; F522-F539 VanDerWaalsContact CG-CE1 3.49Å; F522-F539 AromaticContact CG-CZ 3.8Å; F522-F539 HydrophobicContact CG-CZ 3.8Å; F522-F539 HydrophobicContact CZ-CE1 4.3Å; F539-A544 HydrophobicContact CB-CB 4.23Å; F539-L547 HydrophobicContact CD1-CD1 4.15Å; F539-L547 HydrophobicContact CE1-CD1 3.95Å; F539-F557 HydrophobicContact CD2-CZ 4.11Å; F539-F557 HydrophobicContact CE1-CZ 4.49Å; F539-F557 HydrophobicContact CE2-CE2 4.05Å; F539-F557 AromaticContact CE2-CZ 3.95Å; F539-F557 HydrophobicContact CE2-CZ 3.95Å; F539-F557 HydrophobicContact CG-CZ 4.47Å; F539-F557 HydrophobicContact CZ-CE2 4.18Å; F539-F557 HydrophobicContact CZ-CZ 4.15Å; F539-R567 PolarHBondContact N-O 3.31Å; F539-I568 HydrophobicContact CB-CD1 3.86Å; F539-I568 HydrophobicContact CD2-CD1 3.85Å; F539-I568 HydrophobicContact CG-CD1 4.22Å; F539-I568 WeakPolarHBondContact O-CA 3.44Å; F539-Y569 WeakPolarHBondContact O-CD1 3.25Å; F539-Y569 VanDerWaalsContact O-CE1 3.26Å; F539-Y569 WeakPolarHBondContact O-CE1 3.27Å; F539-Y569 PolarHBondContact O-N 3.35Å; F539-Y569 VanDerWaalsContact O-N 3.11Å
540	S	97.4	Very high	92.2	Very high	21 Å²	21	49.4 Å²	49.4	15%	0.147	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	155.8	164.4	64.9	0	0	0	0	110.1	N542 E543 A544	S540-N542 PolarHBondContact O-N 3.22Å; S540-E543 WeakPolarHBondContact CB-OE2 3.37Å; S540-E543 PolarHBondContact N-OE2 3.41Å; S540-E543 PolarHBondContact O-N 3.49Å; S540-E543 VanDerWaalsContact OG-CD 3.29Å; S540-E543 VanDerWaalsContact OG-CG 3.23Å; S540-E543 WeakPolarHBondContact OG-CG 3.39Å; S540-E543 PolarHBondContact OG-N 3.42Å; S540-E543 PolarHBondContact OG-OE2 2.6Å; S540-A544 PolarHBondContact O-N 3.15Å
541	E	96.5	Very high	91.2	Very high	9 Å²	9	46.7 Å²	46.7	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-52.5	-39	176.6	71.1	-174.6	-149.1	0	0	112.5	A544 L545 Y569 P570 S571 R574 F580 M585	E541-A544 PolarHBondContact O-N 3.09Å; E541-L545 WeakPolarHBondContact O-CB 3.17Å; E541-L545 WeakPolarHBondContact O-CG 3.43Å; E541-L545 PolarHBondContact O-N 3.19Å; E541-Y569 PolarHBondContact N-O 3.23Å; E541-P570 VanDerWaalsContact OE2-CA 3.3Å; E541-P570 WeakPolarHBondContact OE2-CA 3.47Å; E541-S571 VanDerWaalsContact CD-N 3.33Å; E541-S571 PolarHBondContact OE2-N 3.1Å; E541-S571 VanDerWaalsContact OE2-N 3.12Å; E541-R574 IonicContact OE1-CZ 3.34Å; E541-R574 VanDerWaalsContact OE1-CZ 3.24Å; E541-R574 IonicContact OE1-NE 3.86Å; E541-R574 PolarHBondContact OE1-NE 3.42Å; E541-R574 IonicContact OE1-NH2 2.69Å; E541-R574 PolarHBondContact OE1-NH2 3.26Å; E541-R574 IonicContact OE2-CZ 3.07Å; E541-R574 IonicContact OE2-NE 3.85Å; E541-R574 PolarHBondContact OE2-NE 3.13Å; E541-R574 IonicContact OE2-NH2 2.75Å; E541-F580 HydrophobicContact CB-CB 4.27Å; E541-F580 HydrophobicContact CB-CD1 3.93Å; E541-F580 HydrophobicContact CB-CD2 4.46Å; E541-F580 HydrophobicContact CB-CE1 4.43Å; E541-F580 HydrophobicContact CB-CG 3.95Å; E541-F580 WeakPolarHBondContact OE2-CB 3.44Å; E541-F580 WeakPolarHBondContact OE2-CD1 3.38Å; E541-M585 HydrophobicContact CB-CE 4.35Å
542	N	96.3	Very high	90.8	Very high	80 Å²	80	46.5 Å²	46.5	43%	0.428	26%	0.257	S	S	.	.	H	α-helix	trans	-70.5	-42.2	-176.9	-71.2	-23.5	0	0	0	111.9	S540 K546	S540-N542 PolarHBondContact O-N 3.22Å; N542-K546 WeakPolarHBondContact O-CB 3.32Å; N542-K546 PolarHBondContact O-N 3.07Å
543	E	95.8	Very high	90.9	Very high	103 Å²	103	46.1 Å²	46.1	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175	-70.7	167.8	132.8	0	0	111.1	S540 K546 L547	S540-E543 WeakPolarHBondContact CB-OE2 3.37Å; S540-E543 PolarHBondContact N-OE2 3.41Å; S540-E543 PolarHBondContact O-N 3.49Å; S540-E543 VanDerWaalsContact OG-CD 3.29Å; S540-E543 VanDerWaalsContact OG-CG 3.23Å; S540-E543 WeakPolarHBondContact OG-CG 3.39Å; S540-E543 PolarHBondContact OG-N 3.42Å; S540-E543 PolarHBondContact OG-OE2 2.6Å; E543-K546 PolarHBondContact O-N 3.11Å; E543-L547 WeakPolarHBondContact O-CG 3.24Å; E543-L547 PolarHBondContact O-N 2.82Å; E543-L547 VanDerWaalsContact O-N 3.11Å
544	A	96.1	Very high	91	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-49.3	178.3	0	0	0	0	0	111.3	F539 S540 E541 K546 L547 I548 F557 I568 M585	F539-A544 HydrophobicContact CB-CB 4.23Å; S540-A544 PolarHBondContact O-N 3.15Å; E541-A544 PolarHBondContact O-N 3.09Å; A544-K546 VanDerWaalsContact C-N 3.29Å; A544-K546 PolarHBondContact O-N 3.03Å; A544-L547 PolarHBondContact O-N 2.78Å; A544-L547 VanDerWaalsContact O-N 3.11Å; A544-I548 WeakPolarHBondContact O-CD1 3.37Å; A544-I548 WeakPolarHBondContact O-CG1 3.46Å; A544-I548 PolarHBondContact O-N 2.92Å; A544-F557 HydrophobicContact CB-CE1 4.47Å; A544-I568 HydrophobicContact CB-CD1 3.91Å; A544-I568 HydrophobicContact CB-CG2 4.06Å; A544-M585 HydrophobicContact CB-CE 4.44Å; A544-M585 HydrophobicContact CB-SD 3.82Å
545	L	94.4	Very high	91.3	Very high	29 Å²	29	44.4 Å²	44.4	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-38.5	177.6	-72.2	171.6	0	0	0	112.6	E541 L547 I548 K549 E584 M585	E541-L545 WeakPolarHBondContact O-CB 3.17Å; E541-L545 WeakPolarHBondContact O-CG 3.43Å; E541-L545 PolarHBondContact O-N 3.19Å; L545-L547 VanDerWaalsContact C-N 3.33Å; L545-L547 PolarHBondContact O-N 2.75Å; L545-I548 HydrophobicContact CD2-CD1 4.41Å; L545-I548 PolarHBondContact O-N 3.17Å; L545-K549 WeakPolarHBondContact O-CB 3.41Å; L545-K549 WeakPolarHBondContact O-CG 3.43Å; L545-K549 PolarHBondContact O-N 3.01Å; L545-E584 HydrophobicContact CD2-CB 3.95Å; L545-E584 HydrophobicContact CD2-CG 4.41Å; L545-E584 WeakPolarHBondContact CD2-OE2 3.19Å; L545-M585 HydrophobicContact CD1-CE 4.26Å; L545-M585 HydrophobicContact CD2-CE 3.64Å; L545-M585 HydrophobicContact CD2-SD 4.34Å; L545-M585 HydrophobicContact CG-CE 3.64Å
546	K	94.4	Very high	91.4	Very high	167 Å²	167	46.1 Å²	46.1	73%	0.726	25%	0.251	S	S	*	.	H	α-helix	trans	-62.5	-40.8	176.3	-173.2	178.4	179.3	180	0	111.8	N542 E543 A544	N542-K546 WeakPolarHBondContact O-CB 3.32Å; N542-K546 PolarHBondContact O-N 3.07Å; E543-K546 PolarHBondContact O-N 3.11Å; A544-K546 VanDerWaalsContact C-N 3.29Å; A544-K546 PolarHBondContact O-N 3.03Å
547	L	93.9	Very high	91.5	Very high	27 Å²	27	46 Å²	46	14%	0.141	25%	0.25	C	S	.	.	H	α-helix	trans	-69.8	-35.3	176.1	-64.7	172.7	0	0	0	112.4	F522 F525 F539 E543 A544 L545 L553 G554 F557	F522-L547 HydrophobicContact CE1-CD1 4.12Å; F525-L547 HydrophobicContact CE2-CD2 4.14Å; F525-L547 HydrophobicContact CZ-CD1 4.16Å; F539-L547 HydrophobicContact CD1-CD1 4.15Å; F539-L547 HydrophobicContact CE1-CD1 3.95Å; E543-L547 WeakPolarHBondContact O-CG 3.24Å; E543-L547 PolarHBondContact O-N 2.82Å; E543-L547 VanDerWaalsContact O-N 3.11Å; A544-L547 PolarHBondContact O-N 2.78Å; A544-L547 VanDerWaalsContact O-N 3.11Å; L545-L547 VanDerWaalsContact C-N 3.33Å; L545-L547 PolarHBondContact O-N 2.75Å; L547-L553 HydrophobicContact CD2-CD1 3.82Å; L547-L553 CarbonylContact O-C 3.48Å; L547-L553 WeakPolarHBondContact O-CB 3.32Å; L547-G554 PolarHBondContact O-N 3.44Å; L547-F557 HydrophobicContact CB-CD1 4Å; L547-F557 HydrophobicContact CB-CE1 4.23Å; L547-F557 HydrophobicContact CD1-CD1 4.44Å; L547-F557 HydrophobicContact CD1-CE1 4.15Å
548	I	91.1	Very high	91.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-68.1	-46.6	-180	-66.7	161.2	0	0	0	111	A544 L545 D550 F557 M585 C588	A544-I548 WeakPolarHBondContact O-CD1 3.37Å; A544-I548 WeakPolarHBondContact O-CG1 3.46Å; A544-I548 PolarHBondContact O-N 2.92Å; L545-I548 HydrophobicContact CD2-CD1 4.41Å; L545-I548 PolarHBondContact O-N 3.17Å; I548-D550 VanDerWaalsContact C-N 3.26Å; I548-D550 PolarHBondContact O-N 3.46Å; I548-F557 HydrophobicContact CG1-CD1 4.27Å; I548-M585 HydrophobicContact CD1-SD 3.52Å; I548-M585 VanDerWaalsContact CD1-SD 3.52Å; I548-C588 HydrophobicContact CG1-CB 4.17Å
549	K	88.4	Confident	91.2	Very high	127 Å²	127	48.9 Å²	48.9	55%	0.552	26%	0.255	S	S	*	.	H	α-helix	trans	-74.3	-13.4	-174.7	-69.9	-179.2	179.2	-179.6	0	114.2	L545 S551	L545-K549 WeakPolarHBondContact O-CB 3.41Å; L545-K549 WeakPolarHBondContact O-CG 3.43Å; L545-K549 PolarHBondContact O-N 3.01Å; K549-S551 PolarHBondContact O-N 3.29Å
550	D	86.4	Confident	91	Very high	80 Å²	80	49.3 Å²	49.3	43%	0.428	26%	0.257	S	S	.	.	S	Bend	trans	-81.9	114	171.4	-177.7	-52.5	0	0	0	109.5	I548 G552 L553 G554	I548-D550 VanDerWaalsContact C-N 3.26Å; I548-D550 PolarHBondContact O-N 3.46Å; D550-G552 PolarHBondContact O-N 3.32Å; D550-G552 PolarHBondContact OD1-N 2.99Å; D550-L553 HydrophobicContact CB-CB 3.98Å; D550-L553 HydrophobicContact CB-CD1 3.99Å; D550-L553 HydrophobicContact CB-CG 4.01Å; D550-L553 PolarHBondContact O-N 2.94Å; D550-L553 PolarHBondContact OD1-N 3.3Å; D550-G554 PolarHBondContact O-N 3.48Å
551	S	67.9	Low	90.9	Very high	86 Å²	86	48.3 Å²	48.3	60%	0.601	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.3	-173.2	-53	0	0	0	0	114.5	K549 N634	K549-S551 PolarHBondContact O-N 3.29Å; S551-N634 PolarHBondContact O-ND2 3.44Å
552	G	78	Confident	90.7	Very high	45 Å²	45	48.4 Å²	48.4	46%	0.464	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-35	175.2	0	0	0	0	0	113.2	D550	D550-G552 PolarHBondContact O-N 3.32Å; D550-G552 PolarHBondContact OD1-N 2.99Å
553	L	88.3	Confident	90.4	Very high	56 Å²	56	50.2 Å²	50.2	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-82.7	-28.7	-174.8	-60.1	-176	0	0	0	113.3	F525 L547 D550 T555 L556 F557	F525-L553 HydrophobicContact CD2-CD2 4.15Å; F525-L553 HydrophobicContact CE2-CB 4.08Å; F525-L553 HydrophobicContact CE2-CD2 4.33Å; L547-L553 HydrophobicContact CD2-CD1 3.82Å; L547-L553 CarbonylContact O-C 3.48Å; L547-L553 WeakPolarHBondContact O-CB 3.32Å; D550-L553 HydrophobicContact CB-CB 3.98Å; D550-L553 HydrophobicContact CB-CD1 3.99Å; D550-L553 HydrophobicContact CB-CG 4.01Å; D550-L553 PolarHBondContact O-N 2.94Å; D550-L553 PolarHBondContact OD1-N 3.3Å; L553-T555 PolarHBondContact O-N 3.11Å; L553-L556 HydrophobicContact CD2-CD1 4.07Å; L553-L556 CarbonylContact O-C 3.5Å; L553-L556 WeakPolarHBondContact O-CB 3.32Å; L553-L556 PolarHBondContact O-N 3.26Å; L553-L556 VanDerWaalsContact O-N 3.11Å; L553-F557 PolarHBondContact O-N 3.44Å
554	G	87.6	Confident	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-46.4	177.9	0	0	0	0	0	113.1	L547 D550 L556 F557 V558	L547-G554 PolarHBondContact O-N 3.44Å; D550-G554 PolarHBondContact O-N 3.48Å; G554-L556 VanDerWaalsContact C-N 3.34Å; G554-L556 PolarHBondContact O-N 3.35Å; G554-F557 WeakPolarHBondContact O-CB 3.44Å; G554-F557 PolarHBondContact O-N 2.87Å; G554-V558 WeakPolarHBondContact O-CG2 3.37Å; G554-V558 PolarHBondContact O-N 2.86Å
555	T	90.4	Very high	90.2	Very high	22 Å²	22	45.9 Å²	45.9	14%	0.135	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-39.5	174.8	-53.1	0	0	0	0	112	L553 F557 V558 R559	L553-T555 PolarHBondContact O-N 3.11Å; T555-F557 VanDerWaalsContact C-N 3.28Å; T555-F557 PolarHBondContact O-N 3.04Å; T555-V558 PolarHBondContact O-N 3.4Å; T555-R559 WeakPolarHBondContact O-CG 3.38Å; T555-R559 PolarHBondContact O-N 2.9Å; T555-R559 VanDerWaalsContact O-N 3.08Å
556	L	93.2	Very high	90.4	Very high	67 Å²	67	44.5 Å²	44.5	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-66.5	-33.8	176.2	-65.7	178.3	0	0	0	111.5	F525 L553 G554 R559 H560	F525-L556 HydrophobicContact CB-CB 4.13Å; F525-L556 HydrophobicContact CB-CD1 4.33Å; F525-L556 HydrophobicContact CD1-CB 4.38Å; F525-L556 HydrophobicContact CD2-CB 3.61Å; F525-L556 HydrophobicContact CD2-CD1 4.14Å; F525-L556 HydrophobicContact CE2-CB 4.1Å; F525-L556 HydrophobicContact CG-CB 3.77Å; L553-L556 HydrophobicContact CD2-CD1 4.07Å; L553-L556 CarbonylContact O-C 3.5Å; L553-L556 WeakPolarHBondContact O-CB 3.32Å; L553-L556 PolarHBondContact O-N 3.26Å; L553-L556 VanDerWaalsContact O-N 3.11Å; G554-L556 VanDerWaalsContact C-N 3.34Å; G554-L556 PolarHBondContact O-N 3.35Å; L556-R559 PolarHBondContact O-N 2.9Å; L556-H560 WeakPolarHBondContact O-CB 3.26Å; L556-H560 PolarHBondContact O-N 3.3Å
557	F	95	Very high	90.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-43.2	175.5	-152.4	170.4	0	0	0	111.6	F525 F539 A544 L547 I548 L553 G554 T555 R559 H560 N561 I568 C588	F525-F557 HydrophobicContact CE1-CB 3.93Å; F525-F557 AromaticContact CE1-CD2 3.77Å; F525-F557 HydrophobicContact CE1-CD2 3.77Å; F525-F557 HydrophobicContact CE1-CE2 4.5Å; F525-F557 AromaticContact CE1-CG 3.95Å; F525-F557 HydrophobicContact CE1-CG 3.95Å; F525-F557 HydrophobicContact CE2-CB 4.43Å; F525-F557 HydrophobicContact CZ-CB 3.54Å; F525-F557 HydrophobicContact CZ-CD1 4.21Å; F525-F557 AromaticContact CZ-CD2 3.95Å; F525-F557 HydrophobicContact CZ-CD2 3.95Å; F525-F557 AromaticContact CZ-CG 3.65Å; F525-F557 HydrophobicContact CZ-CG 3.65Å; F539-F557 HydrophobicContact CD2-CZ 4.11Å; F539-F557 HydrophobicContact CE1-CZ 4.49Å; F539-F557 HydrophobicContact CE2-CE2 4.05Å; F539-F557 AromaticContact CE2-CZ 3.95Å; F539-F557 HydrophobicContact CE2-CZ 3.95Å; F539-F557 HydrophobicContact CG-CZ 4.47Å; F539-F557 HydrophobicContact CZ-CE2 4.18Å; F539-F557 HydrophobicContact CZ-CZ 4.15Å; A544-F557 HydrophobicContact CB-CE1 4.47Å; L547-F557 HydrophobicContact CB-CD1 4Å; L547-F557 HydrophobicContact CB-CE1 4.23Å; L547-F557 HydrophobicContact CD1-CD1 4.44Å; L547-F557 HydrophobicContact CD1-CE1 4.15Å; I548-F557 HydrophobicContact CG1-CD1 4.27Å; L553-F557 PolarHBondContact O-N 3.44Å; G554-F557 WeakPolarHBondContact O-CB 3.44Å; G554-F557 PolarHBondContact O-N 2.87Å; T555-F557 VanDerWaalsContact C-N 3.28Å; T555-F557 PolarHBondContact O-N 3.04Å; F557-R559 VanDerWaalsContact C-N 3.3Å; F557-R559 PolarHBondContact O-N 3.25Å; F557-H560 WeakPolarHBondContact O-CB 3.46Å; F557-H560 PolarHBondContact O-N 3.15Å; F557-N561 WeakPolarHBondContact CD2-ND2 3.41Å; F557-N561 WeakPolarHBondContact O-CB 3.39Å; F557-N561 PolarHBondContact O-N 3.23Å; F557-N561 PolarHBondContact O-ND2 3.28Å; F557-I568 HydrophobicContact CZ-CD1 4.37Å; F557-C588 HydrophobicContact CB-CB 4.47Å; F557-C588 HydrophobicContact CD1-CB 4.29Å; F557-C588 HydrophobicContact CG-CB 4.39Å
558	V	93.8	Very high	90.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-55.7	-47.1	172.4	174.8	0	0	0	0	110.5	G554 T555 N561 V562 C588 F633	G554-V558 WeakPolarHBondContact O-CG2 3.37Å; G554-V558 PolarHBondContact O-N 2.86Å; T555-V558 PolarHBondContact O-N 3.4Å; V558-N561 CarbonylContact O-C 3.59Å; V558-N561 PolarHBondContact O-N 2.95Å; V558-V562 PolarHBondContact O-N 2.92Å; V558-C588 WeakPolarHBondContact CA-O 3.33Å; V558-F633 HydrophobicContact CG1-CD1 4.44Å; V558-F633 HydrophobicContact CG2-CD1 4.1Å
559	R	92.4	Very high	91.1	Very high	98 Å²	98	39 Å²	39	37%	0.37	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-40.4	178.4	-71.1	176.4	179.1	170.8	-1.4	113.3	T555 L556 F557 N561 V562 S631	T555-R559 WeakPolarHBondContact O-CG 3.38Å; T555-R559 PolarHBondContact O-N 2.9Å; T555-R559 VanDerWaalsContact O-N 3.08Å; L556-R559 PolarHBondContact O-N 2.9Å; F557-R559 VanDerWaalsContact C-N 3.3Å; F557-R559 PolarHBondContact O-N 3.25Å; R559-N561 PolarHBondContact O-N 3.37Å; R559-V562 WeakPolarHBondContact O-CB 3.22Å; R559-V562 PolarHBondContact O-N 3.18Å; R559-V562 VanDerWaalsContact O-N 3.14Å; R559-S631 PolarHBondContact NE-O 2.99Å; R559-S631 PolarHBondContact NH2-O 2.97Å
560	H	93.8	Very high	91.5	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-44.5	173.1	172.2	71.6	0	0	0	110.4	F525 L556 F557 V562 R563 Q564	F525-H560 HydrophobicContact CD1-CB 3.76Å; F525-H560 HydrophobicContact CE1-CB 3.85Å; L556-H560 WeakPolarHBondContact O-CB 3.26Å; L556-H560 PolarHBondContact O-N 3.3Å; F557-H560 WeakPolarHBondContact O-CB 3.46Å; F557-H560 PolarHBondContact O-N 3.15Å; H560-V562 PolarHBondContact O-N 2.91Å; H560-R563 PolarHBondContact O-N 2.82Å; H560-R563 VanDerWaalsContact O-N 3.08Å; H560-Q564 PolarHBondContact CE1-OE1 2.72Å; H560-Q564 PolarHBondContact ND1-OE1 3.13Å; H560-Q564 VanDerWaalsContact ND1-OE1 3.11Å; H560-Q564 PolarHBondContact O-N 3.28Å
561	N	95.1	Very high	91.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.2	-4	179.4	-71	-33.3	0	0	0	114.8	F557 V558 R559 S566 C588 G589 C590 H591 K622	F557-N561 WeakPolarHBondContact CD2-ND2 3.41Å; F557-N561 WeakPolarHBondContact O-CB 3.39Å; F557-N561 PolarHBondContact O-N 3.23Å; F557-N561 PolarHBondContact O-ND2 3.28Å; V558-N561 CarbonylContact O-C 3.59Å; V558-N561 PolarHBondContact O-N 2.95Å; R559-N561 PolarHBondContact O-N 3.37Å; N561-S566 WeakPolarHBondContact OD1-CB 3.43Å; N561-S566 PolarHBondContact OD1-OG 3.26Å; N561-C588 PolarHBondContact ND2-O 3.17Å; N561-G589 WeakPolarHBondContact CB-O 3.4Å; N561-C590 PolarHBondContact ND2-N 3.37Å; N561-C590 PolarHBondContact ND2-SG 2.94Å; N561-H591 PolarHBondContact O-CE1 3.23Å; N561-H591 PolarHBondContact O-NE2 3.33Å; N561-H591 VanDerWaalsContact O-NE2 3.1Å; N561-K622 PolarHBondContact O-NZ 3.01Å
562	V	92.9	Very high	92.8	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-76.6	-38.3	167.3	176	0	0	0	0	110.3	T321 V558 R559 H560 M626 C627 P629	T321-V562 WeakPolarHBondContact CB-O 3.49Å; T321-V562 PolarHBondContact OG1-O 3.38Å; V558-V562 PolarHBondContact O-N 2.92Å; R559-V562 WeakPolarHBondContact O-CB 3.22Å; R559-V562 PolarHBondContact O-N 3.18Å; R559-V562 VanDerWaalsContact O-N 3.14Å; H560-V562 PolarHBondContact O-N 2.91Å; V562-M626 WeakPolarHBondContact CG2-O 3.37Å; V562-C627 WeakPolarHBondContact CG1-O 3.34Å; V562-P629 HydrophobicContact CG1-CB 4.37Å
563	R	89.1	Confident	93.4	Very high	118 Å²	118	33.4 Å²	33.4	45%	0.445	17%	0.171	S	C	.	.	H	α-helix	trans	-101.2	-32.5	-170.2	-68.5	-174.4	65.6	-145.7	-5.7	114.2	S529 H560	S529-R563 PolarHBondContact O-NH1 2.96Å; H560-R563 PolarHBondContact O-N 2.82Å; H560-R563 VanDerWaalsContact O-N 3.08Å
564	Q	92.9	Very high	93.6	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-130	150.8	-172	-67	-179.7	-72.5	0	0	111	A528 Q532 E535 H560 H591	A528-Q564 PolarHBondContact O-OE1 3.43Å; A528-Q564 VanDerWaalsContact O-OE1 3.07Å; Q532-Q564 PolarHBondContact O-NE2 3.37Å; Q532-Q564 VanDerWaalsContact O-NE2 3.07Å; E535-Q564 PolarHBondContact O-NE2 3.49Å; E535-Q564 VanDerWaalsContact O-NE2 3.07Å; H560-Q564 PolarHBondContact CE1-OE1 2.72Å; H560-Q564 PolarHBondContact ND1-OE1 3.13Å; H560-Q564 VanDerWaalsContact ND1-OE1 3.11Å; H560-Q564 PolarHBondContact O-N 3.28Å; Q564-H591 PolarHBondContact O-CE1 3.02Å
565	L	95.5	Very high	93.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	19%	0.192	C	C	.	.			trans	-76.7	149.2	175	-66.6	174.2	0	0	0	111.1	L320 T321 I325 M536 S537 H591 M592	L320-L565 HydrophobicContact CD2-CD1 3.88Å; L320-L565 HydrophobicContact CG-CD1 4.36Å; L320-L565 HydrophobicContact CG-CD2 4.26Å; T321-L565 HydrophobicContact CG2-CD2 3.94Å; T321-L565 HydrophobicContact CG2-CG 4.15Å; I325-L565 HydrophobicContact CD1-CD2 4.5Å; M536-L565 WeakPolarHBondContact CA-O 3.33Å; M536-L565 HydrophobicContact CB-CB 3.85Å; M536-L565 VanDerWaalsContact CB-O 3.28Å; M536-L565 WeakPolarHBondContact CB-O 3.17Å; S537-L565 PolarHBondContact N-O 3.45Å; L565-H591 HydrophobicContact CD2-CB 4.02Å; L565-M592 HydrophobicContact CB-CE 4.02Å; L565-M592 HydrophobicContact CD1-CE 4.42Å
566	S	97.6	Very high	93.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.3	175.7	51.4	0	0	0	0	109.6	S537 N561 C590 H591 M592	S537-S566 WeakPolarHBondContact O-CA 3.37Å; N561-S566 WeakPolarHBondContact OD1-CB 3.43Å; N561-S566 PolarHBondContact OD1-OG 3.26Å; S566-C590 WeakPolarHBondContact OG-CA 3.32Å; S566-H591 PolarHBondContact N-ND1 2.96Å; S566-H591 PolarHBondContact OG-N 2.54Å; S566-H591 PolarHBondContact OG-ND1 2.78Å; S566-M592 PolarHBondContact O-N 3.19Å
567	R	98.4	Very high	93.7	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	172.9	-176.6	-178.4	-173.8	-107.3	1.4	109.9	E359 M536 S537 S538 F539 M592	E359-R567 IonicContact OE1-CZ 2.8Å; E359-R567 IonicContact OE1-NH1 2.86Å; E359-R567 PolarHBondContact OE1-NH1 2.66Å; E359-R567 IonicContact OE1-NH2 3.1Å; E359-R567 PolarHBondContact OE1-NH2 2.71Å; E359-R567 IonicContact OE2-CZ 3.56Å; E359-R567 IonicContact OE2-NH1 2.68Å; E359-R567 IonicContact OE2-NH2 3.45Å; E359-R567 PolarHBondContact OE2-NH2 2.78Å; M536-R567 HydrophobicContact CE-CB 3.84Å; S537-R567 PolarHBondContact O-N 2.65Å; S538-R567 CarbonylContact C-O 3.51Å; S538-R567 WeakPolarHBondContact CA-O 3.4Å; F539-R567 PolarHBondContact N-O 3.31Å; R567-M592 CarbonylContact C-O 3.5Å; R567-M592 VanDerWaalsContact CA-O 3.31Å; R567-M592 WeakPolarHBondContact CA-O 3.25Å; R567-M592 HydrophobicContact CB-CB 4.04Å; R567-M592 HydrophobicContact CB-CE 4.13Å; R567-M592 HydrophobicContact CG-CB 3.96Å
568	I	98.6	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.1	174	-43.5	-55.1	0	0	0	108	F539 A544 F557 F580 M585 C590 M592 V593 A594	F539-I568 HydrophobicContact CB-CD1 3.86Å; F539-I568 HydrophobicContact CD2-CD1 3.85Å; F539-I568 HydrophobicContact CG-CD1 4.22Å; F539-I568 WeakPolarHBondContact O-CA 3.44Å; A544-I568 HydrophobicContact CB-CD1 3.91Å; A544-I568 HydrophobicContact CB-CG2 4.06Å; F557-I568 HydrophobicContact CZ-CD1 4.37Å; I568-F580 HydrophobicContact CB-CZ 4.35Å; I568-F580 HydrophobicContact CG2-CE2 4.2Å; I568-F580 HydrophobicContact CG2-CZ 3.91Å; I568-M585 HydrophobicContact CG1-CB 4.28Å; I568-M585 HydrophobicContact CG1-CG 4.33Å; I568-M585 HydrophobicContact CG2-CE 4.32Å; I568-M585 HydrophobicContact CG2-CG 4.15Å; I568-M585 HydrophobicContact CG2-SD 4.15Å; I568-C590 HydrophobicContact CD1-CB 4.35Å; I568-C590 HydrophobicContact CG1-CB 3.95Å; I568-M592 PolarHBondContact N-O 2.79Å; I568-V593 HydrophobicContact CG1-CG2 4.46Å; I568-A594 VanDerWaalsContact O-CB 3.27Å; I568-A594 WeakPolarHBondContact O-CB 3.36Å; I568-A594 PolarHBondContact O-N 2.83Å
569	Y	97.6	Very high	93.9	Very high	77 Å²	77	43.8 Å²	43.8	30%	0.302	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.7	178.4	61.5	-86.7	0	0	0	111.9	F539 E541	F539-Y569 WeakPolarHBondContact O-CD1 3.25Å; F539-Y569 VanDerWaalsContact O-CE1 3.26Å; F539-Y569 WeakPolarHBondContact O-CE1 3.27Å; F539-Y569 PolarHBondContact O-N 3.35Å; F539-Y569 VanDerWaalsContact O-N 3.11Å; E541-Y569 PolarHBondContact N-O 3.23Å
570	P	97.1	Very high	94.2	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.032	20%	0.203	C	C	.	.			trans	-62.8	151	-178.7	-18	31	0	0	0	113	H329 E541 F580	H329-P570 HydrophobicContact CB-CG 4.19Å; E541-P570 VanDerWaalsContact OE2-CA 3.3Å; E541-P570 WeakPolarHBondContact OE2-CA 3.47Å; P570-F580 HydrophobicContact CB-CD1 4.11Å; P570-F580 HydrophobicContact CB-CE1 4.28Å; P570-F580 HydrophobicContact CG-CD1 4.1Å; P570-F580 HydrophobicContact CG-CE1 3.86Å
571	S	93.6	Very high	94.3	Very high	17 Å²	17	40.1 Å²	40.1	12%	0.119	21%	0.207	C	C	.	.			trans	-64.4	143.1	174.5	173.9	0	0	0	0	111.9	E541 Q573 R574	E541-S571 VanDerWaalsContact CD-N 3.33Å; E541-S571 PolarHBondContact OE2-N 3.1Å; E541-S571 VanDerWaalsContact OE2-N 3.12Å; S571-Q573 PolarHBondContact O-N 3.18Å; S571-Q573 VanDerWaalsContact O-N 3.09Å; S571-Q573 PolarHBondContact OG-N 3.04Å; S571-R574 WeakPolarHBondContact O-CB 3.49Å; S571-R574 PolarHBondContact O-N 3.15Å
572	G	88.9	Confident	94.5	Very high	70 Å²	70	40.1 Å²	40.1	72%	0.722	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17	173.1	0	0	0	0	0	114.2	R574	G572-R574 PolarHBondContact O-N 3.36Å
573	Q	90.3	Very high	94.7	Very high	129 Å²	129	39.7 Å²	39.7	60%	0.603	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.6	172.7	-65.2	174.3	-10.5	0	0	112.7	D485 S571 L575	D485-Q573 PolarHBondContact OD2-NE2 3.39Å; S571-Q573 PolarHBondContact O-N 3.18Å; S571-Q573 VanDerWaalsContact O-N 3.09Å; S571-Q573 PolarHBondContact OG-N 3.04Å; Q573-L575 VanDerWaalsContact C-N 3.26Å; Q573-L575 PolarHBondContact O-N 3.38Å
574	R	92.5	Very high	95	Very high	65 Å²	65	36.5 Å²	36.5	25%	0.245	20%	0.195	C	C	.	.			trans	-83.8	60.8	179.8	-61.8	-177.2	178.7	-88.1	-4.4	112.3	E541 S571 G572 Q576 S577 S578 N579	E541-R574 IonicContact OE1-CZ 3.34Å; E541-R574 VanDerWaalsContact OE1-CZ 3.24Å; E541-R574 IonicContact OE1-NE 3.86Å; E541-R574 PolarHBondContact OE1-NE 3.42Å; E541-R574 IonicContact OE1-NH2 2.69Å; E541-R574 PolarHBondContact OE1-NH2 3.26Å; E541-R574 IonicContact OE2-CZ 3.07Å; E541-R574 IonicContact OE2-NE 3.85Å; E541-R574 PolarHBondContact OE2-NE 3.13Å; E541-R574 IonicContact OE2-NH2 2.75Å; S571-R574 WeakPolarHBondContact O-CB 3.49Å; S571-R574 PolarHBondContact O-N 3.15Å; G572-R574 PolarHBondContact O-N 3.36Å; R574-Q576 PolarHBondContact O-N 2.76Å; R574-Q576 VanDerWaalsContact O-N 3.08Å; R574-S577 PolarHBondContact O-N 3.07Å; R574-S578 WeakPolarHBondContact CD-O 3.43Å; R574-S578 WeakPolarHBondContact CG-OG 3.41Å; R574-S578 PolarHBondContact NH1-OG 3.19Å; R574-N579 PolarHBondContact NH1-O 2.81Å
575	L	89.9	Confident	95.2	Very high	93 Å²	93	36.3 Å²	36.3	49%	0.487	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.6	-176.2	-59.1	178.6	0	0	0	113.9	Q337 V338 Q573 S577	Q337-L575 PolarHBondContact N-O 2.93Å; V338-L575 HydrophobicContact CG2-CB 4.38Å; V338-L575 HydrophobicContact CG2-CD2 4.1Å; Q573-L575 VanDerWaalsContact C-N 3.26Å; Q573-L575 PolarHBondContact O-N 3.38Å; L575-S577 VanDerWaalsContact C-N 3.25Å; L575-S577 PolarHBondContact O-N 2.99Å
576	Q	89.9	Confident	95.4	Very high	150 Å²	150	36 Å²	36	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	14.6	177.5	-61.3	-59.5	-44	0	0	113.5	R574 S578	R574-Q576 PolarHBondContact O-N 2.76Å; R574-Q576 VanDerWaalsContact O-N 3.08Å; Q576-S578 PolarHBondContact O-N 3.17Å
577	S	93.2	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.			trans	58.9	29.4	-179.2	-53.8	0	0	0	0	113.9	K335 D336 Q337 R574 L575 N596 Q598 T599	K335-S577 WeakPolarHBondContact O-CB 3.41Å; K335-S577 PolarHBondContact O-OG 3.25Å; D336-S577 WeakPolarHBondContact CA-OG 3.48Å; Q337-S577 PolarHBondContact NE2-OG 2.91Å; R574-S577 PolarHBondContact O-N 3.07Å; L575-S577 VanDerWaalsContact C-N 3.25Å; L575-S577 PolarHBondContact O-N 2.99Å; S577-N596 WeakPolarHBondContact O-CB 3.37Å; S577-N596 PolarHBondContact O-ND2 2.91Å; S577-Q598 PolarHBondContact OG-NE2 2.7Å; S577-T599 WeakPolarHBondContact CB-OG1 3.18Å; S577-T599 WeakPolarHBondContact O-CB 3.44Å; S577-T599 WeakPolarHBondContact O-CG2 3.43Å; S577-T599 PolarHBondContact O-OG1 2.91Å
578	S	95.9	Very high	95.1	Very high	46 Å²	46	36 Å²	36	32%	0.322	19%	0.193	S	C	.	.			trans	-62.9	161.3	172.6	66.3	0	0	0	0	110.7	R574 Q576 N596	R574-S578 WeakPolarHBondContact CD-O 3.43Å; R574-S578 WeakPolarHBondContact CG-OG 3.41Å; R574-S578 PolarHBondContact NH1-OG 3.19Å; Q576-S578 PolarHBondContact O-N 3.17Å; S578-N596 PolarHBondContact O-ND2 2.84Å
579	N	97.5	Very high	95	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.053	19%	0.193	C	C	.	.			trans	-111.4	146.4	-179.7	-77.9	-48.1	0	0	0	110.5	R574 L595 N596 Q603	R574-N579 PolarHBondContact NH1-O 2.81Å; N579-L595 HydrophobicContact CB-CD2 4.14Å; N579-L595 WeakPolarHBondContact OD1-CA 3.48Å; N579-N596 PolarHBondContact ND2-O 3.41Å; N579-N596 WeakPolarHBondContact OD1-CB 3.14Å; N579-N596 PolarHBondContact OD1-N 3.27Å; N579-Q603 HydrophobicContact CB-CB 3.53Å; N579-Q603 HydrophobicContact CB-CG 3.92Å
580	F	97.4	Very high	95	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.031	18%	0.179	C	C	.	.			trans	-83	164.2	167.4	61.8	-88.5	0	0	0	110.4	E541 I568 P570 P582 M585 V593 A594 L595 Q603	E541-F580 HydrophobicContact CB-CB 4.27Å; E541-F580 HydrophobicContact CB-CD1 3.93Å; E541-F580 HydrophobicContact CB-CD2 4.46Å; E541-F580 HydrophobicContact CB-CE1 4.43Å; E541-F580 HydrophobicContact CB-CG 3.95Å; E541-F580 WeakPolarHBondContact OE2-CB 3.44Å; E541-F580 WeakPolarHBondContact OE2-CD1 3.38Å; I568-F580 HydrophobicContact CB-CZ 4.35Å; I568-F580 HydrophobicContact CG2-CE2 4.2Å; I568-F580 HydrophobicContact CG2-CZ 3.91Å; P570-F580 HydrophobicContact CB-CD1 4.11Å; P570-F580 HydrophobicContact CB-CE1 4.28Å; P570-F580 HydrophobicContact CG-CD1 4.1Å; P570-F580 HydrophobicContact CG-CE1 3.86Å; F580-P582 WeakPolarHBondContact O-CD 3.39Å; F580-M585 HydrophobicContact CD2-CE 3.59Å; F580-M585 HydrophobicContact CD2-CG 4.16Å; F580-M585 HydrophobicContact CE2-CE 3.83Å; F580-M585 HydrophobicContact CE2-CG 3.6Å; F580-M585 HydrophobicContact CG-CE 4.47Å; F580-V593 HydrophobicContact CE2-CG1 3.5Å; F580-V593 HydrophobicContact CZ-CG1 3.64Å; F580-A594 WeakPolarHBondContact CE1-O 3.29Å; F580-L595 HydrophobicContact CD1-CD2 4.37Å; F580-L595 HydrophobicContact CE1-CD2 3.96Å; F580-L595 HydrophobicContact CE2-CD2 4.29Å; F580-L595 HydrophobicContact CZ-CD2 3.91Å; F580-Q603 WeakPolarHBondContact O-CG 3.15Å
581	D	97	Very high	95.1	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	18%	0.177	C	C	.	.			trans	-67.7	111.1	177.3	-173.8	-8.7	0	0	0	110.7	Q583	D581-Q583 PolarHBondContact O-N 3.09Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.47Å; D581-Q583 PolarHBondContact OD1-N 2.87Å
582	P	98.2	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-71.7	-19.8	-178.7	32.5	-37.1	0	0	0	112.7	F580 E584 M585 W586 V593 L595 L606	F580-P582 WeakPolarHBondContact O-CD 3.39Å; P582-E584 PolarHBondContact O-N 3.19Å; P582-M585 PolarHBondContact O-N 3.07Å; P582-W586 HydrophobicContact CB-CD2 4.32Å; P582-W586 HydrophobicContact CB-CE3 4.19Å; P582-W586 HydrophobicContact CB-CH2 3.49Å; P582-W586 VanDerWaalsContact CB-CH2 3.49Å; P582-W586 HydrophobicContact CB-CZ2 3.68Å; P582-W586 HydrophobicContact CB-CZ3 3.79Å; P582-W586 HydrophobicContact CG-CE3 4.42Å; P582-W586 HydrophobicContact CG-CH2 3.51Å; P582-W586 HydrophobicContact CG-CZ2 4.21Å; P582-W586 HydrophobicContact CG-CZ3 3.65Å; P582-W586 PolarHBondContact O-N 3.44Å; P582-V593 HydrophobicContact CB-CG1 3.75Å; P582-L595 HydrophobicContact CB-CD1 4.18Å; P582-L595 HydrophobicContact CB-CD2 4.45Å; P582-L595 HydrophobicContact CG-CD1 4.17Å; P582-L606 HydrophobicContact CG-CB 4.19Å; P582-L606 HydrophobicContact CG-CD1 4.48Å
583	Q	97.7	Very high	95.8	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-40.8	-176.4	-174.7	60	44.5	0	0	112	D581 M585 W586 N587 H680 G681 L716	D581-Q583 PolarHBondContact O-N 3.09Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.47Å; D581-Q583 PolarHBondContact OD1-N 2.87Å; Q583-M585 PolarHBondContact O-N 3.22Å; Q583-W586 PolarHBondContact O-N 3.38Å; Q583-N587 PolarHBondContact NE2-OD1 3.48Å; Q583-N587 PolarHBondContact O-N 2.77Å; Q583-N587 PolarHBondContact O-ND2 3.14Å; Q583-N587 PolarHBondContact O-OD1 2.99Å; Q583-H680 HydrophobicContact CG-CB 4.34Å; Q583-G681 WeakPolarHBondContact CG-O 3.48Å; Q583-L716 PolarHBondContact NE2-O 3.24Å
584	E	95.3	Very high	96.2	Very high	50 Å²	50	22 Å²	22	23%	0.234	11%	0.109	C	C	.	.	H	α-helix	trans	-57.4	-38.5	176.8	-67.1	-171.3	117	0	0	111.1	L545 P582	L545-E584 HydrophobicContact CD2-CB 3.95Å; L545-E584 HydrophobicContact CD2-CG 4.41Å; L545-E584 WeakPolarHBondContact CD2-OE2 3.19Å; P582-E584 PolarHBondContact O-N 3.19Å
585	M	97.7	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-74.4	-41.3	179.3	-47.3	-51	170.1	0	0	112.2	E541 A544 L545 I548 I568 F580 P582 Q583 N587 C588 G589 C590 V593	E541-M585 HydrophobicContact CB-CE 4.35Å; A544-M585 HydrophobicContact CB-CE 4.44Å; A544-M585 HydrophobicContact CB-SD 3.82Å; L545-M585 HydrophobicContact CD1-CE 4.26Å; L545-M585 HydrophobicContact CD2-CE 3.64Å; L545-M585 HydrophobicContact CD2-SD 4.34Å; L545-M585 HydrophobicContact CG-CE 3.64Å; I548-M585 HydrophobicContact CD1-SD 3.52Å; I548-M585 VanDerWaalsContact CD1-SD 3.52Å; I568-M585 HydrophobicContact CG1-CB 4.28Å; I568-M585 HydrophobicContact CG1-CG 4.33Å; I568-M585 HydrophobicContact CG2-CE 4.32Å; I568-M585 HydrophobicContact CG2-CG 4.15Å; I568-M585 HydrophobicContact CG2-SD 4.15Å; F580-M585 HydrophobicContact CD2-CE 3.59Å; F580-M585 HydrophobicContact CD2-CG 4.16Å; F580-M585 HydrophobicContact CE2-CE 3.83Å; F580-M585 HydrophobicContact CE2-CG 3.6Å; F580-M585 HydrophobicContact CG-CE 4.47Å; P582-M585 PolarHBondContact O-N 3.07Å; Q583-M585 PolarHBondContact O-N 3.22Å; M585-N587 VanDerWaalsContact C-N 3.27Å; M585-N587 PolarHBondContact O-N 2.7Å; M585-C588 PolarHBondContact O-N 2.95Å; M585-C588 VanDerWaalsContact O-N 3.15Å; M585-G589 PolarHBondContact O-N 3.26Å; M585-C590 HydrophobicContact CB-CB 4.22Å; M585-C590 WeakPolarHBondContact O-CB 3.42Å; M585-C590 PolarHBondContact O-N 2.99Å; M585-C590 PolarHBondContact O-SG 2.93Å; M585-V593 HydrophobicContact CB-CB 4.48Å; M585-V593 HydrophobicContact CB-CG1 3.93Å; M585-V593 HydrophobicContact CB-CG2 3.63Å; M585-V593 HydrophobicContact CG-CG1 4.02Å
586	W	98.3	Very high	96.9	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-65.2	-31.4	176.4	-66.9	-37.3	0	0	0	112.4	F324 P582 Q583 C588 G589 V593 N607 R610 F611 M626 L718	F324-W586 HydrophobicContact CD1-CB 4.44Å; F324-W586 AromaticContact CD1-CD1 3.59Å; F324-W586 HydrophobicContact CD1-CG 4.23Å; F324-W586 HydrophobicContact CE1-CB 3.89Å; F324-W586 AromaticContact CE1-CD1 3.88Å; F324-W586 HydrophobicContact CE1-CG 4.16Å; F324-W586 WeakPolarHBondContact CE1-O 3.41Å; F324-W586 HydrophobicContact CZ-CB 4.05Å; F324-W586 WeakPolarHBondContact CZ-O 3.37Å; P582-W586 HydrophobicContact CB-CD2 4.32Å; P582-W586 HydrophobicContact CB-CE3 4.19Å; P582-W586 HydrophobicContact CB-CH2 3.49Å; P582-W586 VanDerWaalsContact CB-CH2 3.49Å; P582-W586 HydrophobicContact CB-CZ2 3.68Å; P582-W586 HydrophobicContact CB-CZ3 3.79Å; P582-W586 HydrophobicContact CG-CE3 4.42Å; P582-W586 HydrophobicContact CG-CH2 3.51Å; P582-W586 HydrophobicContact CG-CZ2 4.21Å; P582-W586 HydrophobicContact CG-CZ3 3.65Å; P582-W586 PolarHBondContact O-N 3.44Å; Q583-W586 PolarHBondContact O-N 3.38Å; W586-C588 PolarHBondContact O-N 2.91Å; W586-G589 PolarHBondContact O-N 3Å; W586-V593 HydrophobicContact CG-CG2 4.45Å; W586-N607 HydrophobicContact CH2-CB 4.07Å; W586-N607 HydrophobicContact CZ2-CB 4.45Å; W586-R610 HydrophobicContact CD2-CG 4.41Å; W586-R610 HydrophobicContact CE3-CG 4.29Å; W586-R610 HydrophobicContact CH2-CB 3.85Å; W586-R610 HydrophobicContact CH2-CG 4.09Å; W586-R610 HydrophobicContact CZ2-CB 4.33Å; W586-R610 HydrophobicContact CZ2-CG 4.16Å; W586-R610 HydrophobicContact CZ3-CB 3.97Å; W586-R610 HydrophobicContact CZ3-CG 4.13Å; W586-F611 HydrophobicContact CZ2-CE2 4.07Å; W586-M626 WeakPolarHBondContact O-CE 3.16Å; W586-L718 HydrophobicContact CZ3-CD1 4.15Å
587	N	96	Very high	97.1	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.032	5%	0.047	C	C	.	.	H	α-helix	trans	-59.3	-27.3	173.9	-68.3	-22.3	0	0	0	112.4	Q583 M585 M626 F633 P635 G681	Q583-N587 PolarHBondContact NE2-OD1 3.48Å; Q583-N587 PolarHBondContact O-N 2.77Å; Q583-N587 PolarHBondContact O-ND2 3.14Å; Q583-N587 PolarHBondContact O-OD1 2.99Å; M585-N587 VanDerWaalsContact C-N 3.27Å; M585-N587 PolarHBondContact O-N 2.7Å; N587-M626 WeakPolarHBondContact O-CE 3.34Å; N587-F633 WeakPolarHBondContact O-CE1 3.48Å; N587-P635 HydrophobicContact CB-CB 3.78Å; N587-G681 PolarHBondContact ND2-O 3.11Å
588	C	94.9	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.8	172.8	-91.2	0	0	0	0	114.3	I548 F557 V558 N561 M585 W586 C590	I548-C588 HydrophobicContact CG1-CB 4.17Å; F557-C588 HydrophobicContact CB-CB 4.47Å; F557-C588 HydrophobicContact CD1-CB 4.29Å; F557-C588 HydrophobicContact CG-CB 4.39Å; V558-C588 WeakPolarHBondContact CA-O 3.33Å; N561-C588 PolarHBondContact ND2-O 3.17Å; M585-C588 PolarHBondContact O-N 2.95Å; M585-C588 VanDerWaalsContact O-N 3.15Å; W586-C588 PolarHBondContact O-N 2.91Å; C588-C590 VanDerWaalsContact C-N 3.35Å
589	G	96.4	Very high	96.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	14.9	176.9	0	0	0	0	0	113.8	N561 M585 W586 K622	N561-G589 WeakPolarHBondContact CB-O 3.4Å; M585-G589 PolarHBondContact O-N 3.26Å; W586-G589 PolarHBondContact O-N 3Å; G589-K622 PolarHBondContact O-NZ 2.99Å
590	C	98.3	Very high	96.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.			trans	-62.3	134.4	178.5	-65	0	0	0	0	110.7	F324 N561 S566 I568 M585 C588 V593	F324-C590 WeakPolarHBondContact CD1-O 3.47Å; N561-C590 PolarHBondContact ND2-N 3.37Å; N561-C590 PolarHBondContact ND2-SG 2.94Å; S566-C590 WeakPolarHBondContact OG-CA 3.32Å; I568-C590 HydrophobicContact CD1-CB 4.35Å; I568-C590 HydrophobicContact CG1-CB 3.95Å; M585-C590 HydrophobicContact CB-CB 4.22Å; M585-C590 WeakPolarHBondContact O-CB 3.42Å; M585-C590 PolarHBondContact O-N 2.99Å; M585-C590 PolarHBondContact O-SG 2.93Å; C588-C590 VanDerWaalsContact C-N 3.35Å; C590-V593 HydrophobicContact CB-CG2 3.97Å
591	H	98.4	Very high	96.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-86.5	-56.3	-166.3	-52	80	0	0	0	111.5	T321 Y323 I325 N561 Q564 L565 S566 K622	T321-H591 VanDerWaalsContact CA-NE2 3.32Å; T321-H591 WeakPolarHBondContact CA-NE2 3.5Å; T321-H591 PolarHBondContact O-CD2 3.03Å; T321-H591 PolarHBondContact O-NE2 2.81Å; Y323-H591 PolarHBondContact O-CD2 3.3Å; Y323-H591 VanDerWaalsContact O-CD2 3.31Å; I325-H591 HydrophobicContact CD1-CB 4.22Å; I325-H591 HydrophobicContact CG1-CB 4.31Å; I325-H591 PolarHBondContact N-O 2.97Å; N561-H591 PolarHBondContact O-CE1 3.23Å; N561-H591 PolarHBondContact O-NE2 3.33Å; N561-H591 VanDerWaalsContact O-NE2 3.1Å; Q564-H591 PolarHBondContact O-CE1 3.02Å; L565-H591 HydrophobicContact CD2-CB 4.02Å; S566-H591 PolarHBondContact N-ND1 2.96Å; S566-H591 PolarHBondContact OG-N 2.54Å; S566-H591 PolarHBondContact OG-ND1 2.78Å; H591-K622 PolarHBondContact NE2-NZ 2.89Å; H591-K622 VanDerWaalsContact NE2-NZ 3.14Å
592	M	98.6	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	77.3	-174.8	-66.2	172	-78.4	0	0	109.7	I325 S327 C357 I404 M536 L565 S566 R567 I568 A594	I325-M592 HydrophobicContact CB-CG 4.17Å; I325-M592 HydrophobicContact CD1-CG 4.21Å; I325-M592 HydrophobicContact CG2-CG 4.47Å; S327-M592 WeakPolarHBondContact OG-CA 3.42Å; S327-M592 WeakPolarHBondContact OG-CB 3.41Å; C357-M592 HydrophobicContact CB-CG 4.24Å; C357-M592 HydrophobicContact CB-SD 4.23Å; C357-M592 VanDerWaalsContact SG-SD 3.6Å; I404-M592 HydrophobicContact CD1-SD 3.85Å; I404-M592 HydrophobicContact CG2-SD 4.44Å; M536-M592 HydrophobicContact CE-CE 3.99Å; M536-M592 HydrophobicContact SD-CE 3.78Å; L565-M592 HydrophobicContact CB-CE 4.02Å; L565-M592 HydrophobicContact CD1-CE 4.42Å; S566-M592 PolarHBondContact O-N 3.19Å; R567-M592 CarbonylContact C-O 3.5Å; R567-M592 VanDerWaalsContact CA-O 3.31Å; R567-M592 WeakPolarHBondContact CA-O 3.25Å; R567-M592 HydrophobicContact CB-CB 4.04Å; R567-M592 HydrophobicContact CB-CE 4.13Å; R567-M592 HydrophobicContact CG-CB 3.96Å; I568-M592 PolarHBondContact N-O 2.79Å; M592-A594 PolarHBondContact O-N 2.94Å
593	V	98.7	Very high	96.4	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.012	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	91.3	175.5	-174.7	0	0	0	0	107.7	I568 F580 P582 M585 W586 C590	I568-V593 HydrophobicContact CG1-CG2 4.46Å; F580-V593 HydrophobicContact CE2-CG1 3.5Å; F580-V593 HydrophobicContact CZ-CG1 3.64Å; P582-V593 HydrophobicContact CB-CG1 3.75Å; M585-V593 HydrophobicContact CB-CB 4.48Å; M585-V593 HydrophobicContact CB-CG1 3.93Å; M585-V593 HydrophobicContact CB-CG2 3.63Å; M585-V593 HydrophobicContact CG-CG1 4.02Å; W586-V593 HydrophobicContact CG-CG2 4.45Å; C590-V593 HydrophobicContact CB-CG2 3.97Å
594	A	98.6	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.1	-169.4	0	0	0	0	0	111.6	S327 H329 I568 F580 M592	S327-A594 WeakPolarHBondContact O-CA 3.39Å; H329-A594 HydrophobicContact CB-CB 3.92Å; I568-A594 VanDerWaalsContact O-CB 3.27Å; I568-A594 WeakPolarHBondContact O-CB 3.36Å; I568-A594 PolarHBondContact O-N 2.83Å; F580-A594 WeakPolarHBondContact CE1-O 3.29Å; M592-A594 PolarHBondContact O-N 2.94Å
595	L	98.6	Very high	96.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155	-180	-60.5	-180	0	0	0	111.4	S327 S328 H329 N579 F580 P582 F597 M604 N607	S327-L595 PolarHBondContact O-N 2.78Å; S327-L595 VanDerWaalsContact O-N 3.11Å; S328-L595 WeakPolarHBondContact CA-O 3.28Å; H329-L595 PolarHBondContact N-O 2.91Å; N579-L595 HydrophobicContact CB-CD2 4.14Å; N579-L595 WeakPolarHBondContact OD1-CA 3.48Å; F580-L595 HydrophobicContact CD1-CD2 4.37Å; F580-L595 HydrophobicContact CE1-CD2 3.96Å; F580-L595 HydrophobicContact CE2-CD2 4.29Å; F580-L595 HydrophobicContact CZ-CD2 3.91Å; P582-L595 HydrophobicContact CB-CD1 4.18Å; P582-L595 HydrophobicContact CB-CD2 4.45Å; P582-L595 HydrophobicContact CG-CD1 4.17Å; L595-F597 WeakPolarHBondContact O-CD2 3.27Å; L595-F597 PolarHBondContact O-N 2.79Å; L595-M604 HydrophobicContact CB-CE 3.83Å; L595-M604 HydrophobicContact CD1-CE 3.55Å; L595-M604 HydrophobicContact CG-CE 4.34Å; L595-N607 HydrophobicContact CD1-CB 3.66Å
596	N	97.9	Very high	96.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.085	C	C	.	.			trans	-73.9	98.3	170.4	-64.5	-50.7	0	0	0	109.2	H329 Q337 S577 S578 N579 Q598 T599	H329-N596 PolarHBondContact ND1-OD1 2.73Å; Q337-N596 PolarHBondContact NE2-OD1 3.27Å; S577-N596 WeakPolarHBondContact O-CB 3.37Å; S577-N596 PolarHBondContact O-ND2 2.91Å; S578-N596 PolarHBondContact O-ND2 2.84Å; N579-N596 PolarHBondContact ND2-O 3.41Å; N579-N596 WeakPolarHBondContact OD1-CB 3.14Å; N579-N596 PolarHBondContact OD1-N 3.27Å; N596-Q598 PolarHBondContact O-N 3.45Å; N596-T599 PolarHBondContact O-N 3.26Å; N596-T599 VanDerWaalsContact O-N 3.16Å
597	F	95.6	Very high	96.6	Very high	28 Å²	28	15.3 Å²	15.3	12%	0.123	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.8	-174.7	-91.6	-132	0	0	0	113.8	S327 A350 C355 L595 T599 M604	S327-F597 VanDerWaalsContact O-CE2 3.29Å; S327-F597 WeakPolarHBondContact O-CE2 3.28Å; A350-F597 HydrophobicContact CB-CD1 3.97Å; A350-F597 HydrophobicContact CB-CE1 4.28Å; C355-F597 HydrophobicContact CB-CE1 3.82Å; C355-F597 HydrophobicContact CB-CZ 3.94Å; L595-F597 WeakPolarHBondContact O-CD2 3.27Å; L595-F597 PolarHBondContact O-N 2.79Å; F597-T599 PolarHBondContact O-N 3.08Å; F597-M604 HydrophobicContact CB-SD 4.38Å; F597-M604 HydrophobicContact CD2-CE 4.07Å; F597-M604 HydrophobicContact CD2-SD 3.97Å; F597-M604 HydrophobicContact CE2-CE 4.04Å; F597-M604 HydrophobicContact CE2-SD 4.4Å; F597-M604 HydrophobicContact CG-SD 4.06Å
598	Q	90.5	Very high	96.7	Very high	43 Å²	43	17.4 Å²	17.4	20%	0.201	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.8	176.5	73.8	-81.2	25	0	0	113.3	K335 S577 N596 P600	K335-Q598 WeakPolarHBondContact O-CG 3.34Å; K335-Q598 PolarHBondContact O-NE2 2.82Å; S577-Q598 PolarHBondContact OG-NE2 2.7Å; N596-Q598 PolarHBondContact O-N 3.45Å; Q598-P600 VanDerWaalsContact O-CD 3.27Å; Q598-P600 WeakPolarHBondContact O-CD 3.41Å
599	T	94.2	Very high	96.8	Very high	33 Å²	33	17.5 Å²	17.5	20%	0.202	10%	0.097	C	C	.	.	S	Bend	trans	-102.9	101.8	-176.4	-55	0	0	0	0	110.4	S577 N596 F597	S577-T599 WeakPolarHBondContact CB-OG1 3.18Å; S577-T599 WeakPolarHBondContact O-CB 3.44Å; S577-T599 WeakPolarHBondContact O-CG2 3.43Å; S577-T599 PolarHBondContact O-OG1 2.91Å; N596-T599 PolarHBondContact O-N 3.26Å; N596-T599 VanDerWaalsContact O-N 3.16Å; F597-T599 PolarHBondContact O-N 3.08Å
600	P	92.3	Very high	96.9	Very high	68 Å²	68	17.9 Å²	17.9	44%	0.442	10%	0.098	S	C	.	.			trans	-65.6	159.1	173.5	29.8	-35.3	0	0	0	111.1	Q598 A757 D758	Q598-P600 VanDerWaalsContact O-CD 3.27Å; Q598-P600 WeakPolarHBondContact O-CD 3.41Å; P600-A757 HydrophobicContact CB-CB 4.44Å; P600-A757 WeakPolarHBondContact CB-O 3.36Å; P600-D758 HydrophobicContact CB-CB 4.3Å
601	G	91.6	Very high	96.9	Very high	21 Å²	21	18.4 Å²	18.4	22%	0.216	10%	0.1	C	C	.	.	S	Bend	trans	143.6	-173.3	177.8	0	0	0	0	0	112.7	Q603 M604 D605	G601-Q603 PolarHBondContact O-N 2.98Å; G601-M604 PolarHBondContact O-N 2.78Å; G601-D605 PolarHBondContact O-N 3.21Å
602	E	96.7	Very high	96.9	Very high	56 Å²	56	19.2 Å²	19.2	26%	0.262	10%	0.104	S	C	.	.	H	α-helix	trans	-54.5	-50.5	-176.4	176	173.7	131.3	0	0	112.7	M604 D605 L606 H680 R720	E602-M604 PolarHBondContact O-N 2.95Å; E602-D605 VanDerWaalsContact O-CB 3.29Å; E602-D605 WeakPolarHBondContact O-CB 3.37Å; E602-D605 PolarHBondContact O-N 2.89Å; E602-D605 VanDerWaalsContact O-N 3.08Å; E602-L606 HydrophobicContact CG-CD1 4.44Å; E602-L606 HydrophobicContact CG-CG 4.49Å; E602-L606 WeakPolarHBondContact O-CG 3.05Å; E602-L606 PolarHBondContact O-N 3.41Å; E602-H680 IonicContact OE1-CE1 3.22Å; E602-H680 PolarHBondContact OE1-CE1 2.88Å; E602-R720 IonicContact OE2-CZ 3.45Å; E602-R720 IonicContact OE2-NH1 3.65Å; E602-R720 PolarHBondContact OE2-NH1 3.24Å
603	Q	97.9	Very high	96.9	Very high	49 Å²	49	19.4 Å²	19.4	23%	0.229	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-34.9	-176.9	-66.4	70.1	35.2	0	0	111.8	N579 F580 G601 N607	N579-Q603 HydrophobicContact CB-CB 3.53Å; N579-Q603 HydrophobicContact CB-CG 3.92Å; F580-Q603 WeakPolarHBondContact O-CG 3.15Å; G601-Q603 PolarHBondContact O-N 2.98Å; Q603-N607 PolarHBondContact O-N 3.25Å
604	M	97.6	Very high	96.8	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.03	11%	0.105	C	C	.	.	H	α-helix	trans	-75.6	-34.5	176.9	-170.2	81.9	-52.4	0	0	112.3	L595 F597 G601 E602 N607 Q608	L595-M604 HydrophobicContact CB-CE 3.83Å; L595-M604 HydrophobicContact CD1-CE 3.55Å; L595-M604 HydrophobicContact CG-CE 4.34Å; F597-M604 HydrophobicContact CB-SD 4.38Å; F597-M604 HydrophobicContact CD2-CE 4.07Å; F597-M604 HydrophobicContact CD2-SD 3.97Å; F597-M604 HydrophobicContact CE2-CE 4.04Å; F597-M604 HydrophobicContact CE2-SD 4.4Å; F597-M604 HydrophobicContact CG-SD 4.06Å; G601-M604 PolarHBondContact O-N 2.78Å; E602-M604 PolarHBondContact O-N 2.95Å; M604-N607 HydrophobicContact CE-CB 3.61Å; M604-N607 VanDerWaalsContact CE-ND2 3.29Å; M604-N607 WeakPolarHBondContact CE-ND2 3.38Å; M604-N607 PolarHBondContact O-N 3.29Å; M604-Q608 WeakPolarHBondContact O-CG 3.45Å; M604-Q608 PolarHBondContact O-N 2.8Å
605	D	98.4	Very high	96.7	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-60.8	-44.7	170.9	-163.6	42.9	0	0	0	111.8	G601 E602 N607 Q608 G609 R720 Q737 T739	G601-D605 PolarHBondContact O-N 3.21Å; E602-D605 VanDerWaalsContact O-CB 3.29Å; E602-D605 WeakPolarHBondContact O-CB 3.37Å; E602-D605 PolarHBondContact O-N 2.89Å; E602-D605 VanDerWaalsContact O-N 3.08Å; D605-N607 VanDerWaalsContact C-N 3.32Å; D605-N607 PolarHBondContact O-N 3.25Å; D605-Q608 PolarHBondContact O-N 3.14Å; D605-G609 PolarHBondContact O-N 3.42Å; D605-R720 IonicContact OD2-NE 3.55Å; D605-R720 PolarHBondContact OD2-NE 3.22Å; D605-Q737 WeakPolarHBondContact OD1-CG 3.45Å; D605-Q737 PolarHBondContact OD1-NE2 2.82Å; D605-T739 PolarHBondContact OD2-OG1 2.95Å
606	L	98.7	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-43	175.8	-66	-179.8	0	0	0	111.6	P582 E602 G609 R610 H680 L718 T739	P582-L606 HydrophobicContact CG-CB 4.19Å; P582-L606 HydrophobicContact CG-CD1 4.48Å; E602-L606 HydrophobicContact CG-CD1 4.44Å; E602-L606 HydrophobicContact CG-CG 4.49Å; E602-L606 WeakPolarHBondContact O-CG 3.05Å; E602-L606 PolarHBondContact O-N 3.41Å; L606-G609 PolarHBondContact O-N 3.35Å; L606-R610 VanDerWaalsContact O-CB 3.32Å; L606-R610 WeakPolarHBondContact O-CB 3.46Å; L606-R610 PolarHBondContact O-N 2.84Å; L606-H680 HydrophobicContact CD2-CB 4.08Å; L606-L718 HydrophobicContact CB-CD1 4.16Å; L606-L718 HydrophobicContact CD2-CD1 4.01Å; L606-T739 HydrophobicContact CD2-CG2 4.01Å
607	N	98.7	Very high	96.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-44.1	176.2	171.3	88.7	0	0	0	112.7	W586 L595 Q603 M604 D605 G609 R610 F611	W586-N607 HydrophobicContact CH2-CB 4.07Å; W586-N607 HydrophobicContact CZ2-CB 4.45Å; L595-N607 HydrophobicContact CD1-CB 3.66Å; Q603-N607 PolarHBondContact O-N 3.25Å; M604-N607 HydrophobicContact CE-CB 3.61Å; M604-N607 VanDerWaalsContact CE-ND2 3.29Å; M604-N607 WeakPolarHBondContact CE-ND2 3.38Å; M604-N607 PolarHBondContact O-N 3.29Å; D605-N607 VanDerWaalsContact C-N 3.32Å; D605-N607 PolarHBondContact O-N 3.25Å; N607-G609 VanDerWaalsContact C-N 3.29Å; N607-G609 PolarHBondContact O-N 3.12Å; N607-R610 PolarHBondContact O-N 2.86Å; N607-F611 VanDerWaalsContact O-CD2 3.27Å; N607-F611 WeakPolarHBondContact O-CD2 3.31Å; N607-F611 PolarHBondContact O-N 3.26Å; N607-F611 WeakPolarHBondContact OD1-CD2 3.48Å; N607-F611 VanDerWaalsContact OD1-CE2 3.32Å; N607-F611 WeakPolarHBondContact OD1-CE2 3.38Å
608	Q	97.7	Very high	96.7	Very high	51 Å²	51	26.8 Å²	26.8	24%	0.238	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-41.4	174.6	-72.8	177.1	5.6	0	0	111.4	M604 D605 F611 L612	M604-Q608 WeakPolarHBondContact O-CG 3.45Å; M604-Q608 PolarHBondContact O-N 2.8Å; D605-Q608 PolarHBondContact O-N 3.14Å; Q608-F611 CarbonylContact O-C 3.57Å; Q608-L612 WeakPolarHBondContact O-CB 3.47Å; Q608-L612 PolarHBondContact O-N 3.12Å
609	G	98.1	Very high	97	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-45.5	175	0	0	0	0	0	113	D605 L606 N607 F611 L612 T739 P741	D605-G609 PolarHBondContact O-N 3.42Å; L606-G609 PolarHBondContact O-N 3.35Å; N607-G609 VanDerWaalsContact C-N 3.29Å; N607-G609 PolarHBondContact O-N 3.12Å; G609-F611 VanDerWaalsContact C-N 3.29Å; G609-F611 PolarHBondContact O-N 3.38Å; G609-L612 VanDerWaalsContact O-CB 3.27Å; G609-L612 WeakPolarHBondContact O-CB 3.31Å; G609-L612 PolarHBondContact O-N 3.08Å; G609-T739 WeakPolarHBondContact CA-O 3.31Å; G609-P741 WeakPolarHBondContact O-CD 3.35Å
610	R	98.5	Very high	97.3	Very high	8 Å²	8	23.9 Å²	23.9	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-42.7	177.3	-179.8	65.3	67.6	-169.5	2.2	111.8	W586 L606 N607 P613 I620 L716 L718	W586-R610 HydrophobicContact CD2-CG 4.41Å; W586-R610 HydrophobicContact CE3-CG 4.29Å; W586-R610 HydrophobicContact CH2-CB 3.85Å; W586-R610 HydrophobicContact CH2-CG 4.09Å; W586-R610 HydrophobicContact CZ2-CB 4.33Å; W586-R610 HydrophobicContact CZ2-CG 4.16Å; W586-R610 HydrophobicContact CZ3-CB 3.97Å; W586-R610 HydrophobicContact CZ3-CG 4.13Å; L606-R610 VanDerWaalsContact O-CB 3.32Å; L606-R610 WeakPolarHBondContact O-CB 3.46Å; L606-R610 PolarHBondContact O-N 2.84Å; N607-R610 PolarHBondContact O-N 2.86Å; R610-P613 WeakPolarHBondContact O-CD 3.4Å; R610-I620 WeakPolarHBondContact O-CG1 3.24Å; R610-L716 PolarHBondContact NH1-O 2.92Å; R610-L716 PolarHBondContact NH2-O 2.83Å; R610-L718 HydrophobicContact CB-CD1 4.48Å; R610-L718 HydrophobicContact CB-CD2 4.45Å; R610-L718 VanDerWaalsContact CZ-CD2 3.4Å; R610-L718 VanDerWaalsContact NH2-CG 3.32Å
611	F	98.6	Very high	97.5	Very high	12 Å²	12	22.9 Å²	22.9	5%	0.053	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	10.9	-178.9	-65.8	-73	0	0	0	113.9	F324 S326 W586 N607 Q608 G609 R616 G618 I620	F324-F611 HydrophobicContact CB-CE1 4.22Å; F324-F611 HydrophobicContact CB-CZ 4.1Å; S326-F611 VanDerWaalsContact CA-CZ 3.43Å; W586-F611 HydrophobicContact CZ2-CE2 4.07Å; N607-F611 VanDerWaalsContact O-CD2 3.27Å; N607-F611 WeakPolarHBondContact O-CD2 3.31Å; N607-F611 PolarHBondContact O-N 3.26Å; N607-F611 WeakPolarHBondContact OD1-CD2 3.48Å; N607-F611 VanDerWaalsContact OD1-CE2 3.32Å; N607-F611 WeakPolarHBondContact OD1-CE2 3.38Å; Q608-F611 CarbonylContact O-C 3.57Å; G609-F611 VanDerWaalsContact C-N 3.29Å; G609-F611 PolarHBondContact O-N 3.38Å; F611-R616 WeakPolarHBondContact O-CA 3.33Å; F611-G618 WeakPolarHBondContact CE1-O 3.48Å; F611-I620 HydrophobicContact CD1-CG1 3.66Å; F611-I620 HydrophobicContact CE1-CG1 3.99Å
612	L	97.4	Very high	97.8	Very high	17 Å²	17	22.1 Å²	22.1	9%	0.089	11%	0.106	C	C	.	.	S	Bend	trans	-65.9	-45	173.1	177	61	0	0	0	112.7	F305 Q608 G609 R616 F738 L740	F305-L612 HydrophobicContact CD2-CD2 3.85Å; F305-L612 HydrophobicContact CD2-CG 4.18Å; F305-L612 HydrophobicContact CE1-CG 4.5Å; F305-L612 HydrophobicContact CE2-CD2 4.13Å; F305-L612 HydrophobicContact CE2-CG 3.94Å; F305-L612 HydrophobicContact CG-CD2 4.11Å; F305-L612 HydrophobicContact CZ-CG 4.11Å; Q608-L612 WeakPolarHBondContact O-CB 3.47Å; Q608-L612 PolarHBondContact O-N 3.12Å; G609-L612 VanDerWaalsContact O-CB 3.27Å; G609-L612 WeakPolarHBondContact O-CB 3.31Å; G609-L612 PolarHBondContact O-N 3.08Å; L612-R616 HydrophobicContact CD1-CG 4.43Å; L612-R616 VanDerWaalsContact CD1-NE 3.29Å; L612-R616 VanDerWaalsContact O-CG 3.31Å; L612-R616 WeakPolarHBondContact O-CG 2.79Å; L612-F738 HydrophobicContact CD2-CE2 4.2Å; L612-F738 HydrophobicContact CD2-CZ 3.83Å; L612-L740 HydrophobicContact CD2-CB 4.4Å
613	P	98.1	Very high	97.8	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.019	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	177.6	178.4	-13	28.3	0	0	0	113.1	F305 H309 Y313 R610 G615 R616 I620 P741 S744	F305-P613 HydrophobicContact CE2-CB 4.27Å; F305-P613 HydrophobicContact CE2-CG 4.13Å; F305-P613 HydrophobicContact CZ-CB 4.49Å; H309-P613 HydrophobicContact CB-CB 4.2Å; H309-P613 CarbonylContact O-C 3.56Å; H309-P613 WeakPolarHBondContact O-CA 3.24Å; Y313-P613 HydrophobicContact CE1-CB 4.15Å; R610-P613 WeakPolarHBondContact O-CD 3.4Å; P613-G615 PolarHBondContact O-N 3.38Å; P613-R616 PolarHBondContact O-N 3.47Å; P613-I620 HydrophobicContact CB-CD1 4.26Å; P613-I620 HydrophobicContact CG-CD1 4.5Å; P613-P741 HydrophobicContact CG-CG 3.75Å; P613-S744 WeakPolarHBondContact CG-OG 3.24Å
614	N	97.6	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	58.4	48.1	174.3	-159.2	40.7	0	0	0	111.5	H309 Q311 I312 Y313 Q314 M316 R616 C617 Y619 I620	H309-N614 PolarHBondContact O-N 2.97Å; Q311-N614 CarbonylContact O-C 3.55Å; Q311-N614 WeakPolarHBondContact O-CA 3.47Å; I312-N614 WeakPolarHBondContact CA-OD1 3.18Å; I312-N614 WeakPolarHBondContact CD1-O 3.36Å; Y313-N614 HydrophobicContact CD1-CB 4.35Å; Y313-N614 HydrophobicContact CE1-CB 4.15Å; Y313-N614 PolarHBondContact N-OD1 3.01Å; Y313-N614 VanDerWaalsContact N-OD1 3.07Å; Q314-N614 HydrophobicContact CG-CB 4.33Å; Q314-N614 PolarHBondContact N-OD1 2.82Å; M316-N614 PolarHBondContact SD-ND2 3.35Å; N614-R616 PolarHBondContact O-N 2.84Å; N614-R616 VanDerWaalsContact O-N 3.16Å; N614-C617 VanDerWaalsContact O-CB 3.31Å; N614-C617 WeakPolarHBondContact O-CB 3.49Å; N614-C617 PolarHBondContact O-N 3.47Å; N614-C617 PolarHBondContact O-SG 3.11Å; N614-C617 VanDerWaalsContact O-SG 3.32Å; N614-Y619 PolarHBondContact ND2-O 3.41Å; N614-I620 HydrophobicContact CB-CD1 3.9Å
615	G	95.4	Very high	97.5	Very high	26 Å²	26	22 Å²	22	27%	0.268	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	64.5	20.2	177	0	0	0	0	0	115.4	A310 Q311 P613 C617	A310-G615 VanDerWaalsContact O-CA 3.27Å; A310-G615 WeakPolarHBondContact O-CA 3.17Å; Q311-G615 PolarHBondContact O-N 3.05Å; Q311-G615 VanDerWaalsContact O-N 3.14Å; P613-G615 PolarHBondContact O-N 3.38Å; G615-C617 PolarHBondContact O-N 3.18Å; G615-C617 VanDerWaalsContact O-N 3.08Å
616	R	96.4	Very high	97.4	Very high	158 Å²	158	21.9 Å²	21.9	60%	0.596	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	50.2	32.3	-171.8	-62.3	-178.1	177.5	-174.6	-3.8	112.7	F611 L612 P613 N614 G618	F611-R616 WeakPolarHBondContact O-CA 3.33Å; L612-R616 HydrophobicContact CD1-CG 4.43Å; L612-R616 VanDerWaalsContact CD1-NE 3.29Å; L612-R616 VanDerWaalsContact O-CG 3.31Å; L612-R616 WeakPolarHBondContact O-CG 2.79Å; P613-R616 PolarHBondContact O-N 3.47Å; N614-R616 PolarHBondContact O-N 2.84Å; N614-R616 VanDerWaalsContact O-N 3.16Å; R616-G618 PolarHBondContact O-N 2.94Å; R616-G618 VanDerWaalsContact O-N 3.15Å
617	C	97.4	Very high	97.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	12%	0.122	C	C	.	.			trans	-77.8	-2.5	-170	84.2	0	0	0	0	113.1	I312 S399 Y401 N614 G615 Y619	I312-C617 HydrophobicContact CD1-CB 3.53Å; S399-C617 VanDerWaalsContact CB-O 3.3Å; S399-C617 WeakPolarHBondContact CB-O 3.31Å; S399-C617 PolarHBondContact OG-O 3.06Å; Y401-C617 HydrophobicContact CD2-CB 3.68Å; Y401-C617 HydrophobicContact CE2-CB 3.9Å; N614-C617 VanDerWaalsContact O-CB 3.31Å; N614-C617 WeakPolarHBondContact O-CB 3.49Å; N614-C617 PolarHBondContact O-N 3.47Å; N614-C617 PolarHBondContact O-SG 3.11Å; N614-C617 VanDerWaalsContact O-SG 3.32Å; G615-C617 PolarHBondContact O-N 3.18Å; G615-C617 VanDerWaalsContact O-N 3.08Å; C617-Y619 VanDerWaalsContact C-N 3.31Å
618	G	98.1	Very high	96.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.134	C	C	.	.	S	Bend	trans	80.7	5.9	179.9	0	0	0	0	0	115.3	S326 G354 F611 R616	S326-G618 PolarHBondContact N-O 3.34Å; G354-G618 WeakPolarHBondContact O-CA 3.22Å; F611-G618 WeakPolarHBondContact CE1-O 3.48Å; R616-G618 PolarHBondContact O-N 2.94Å; R616-G618 VanDerWaalsContact O-N 3.15Å
619	Y	98.6	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.5	176.8	-73.5	-84.8	0	0	0	110.2	L320 Y323 F324 I325 R356 Y401 P402 L449 N614 C617	L320-Y619 HydrophobicContact CD1-CD1 4.46Å; L320-Y619 HydrophobicContact CD1-CE1 3.58Å; Y323-Y619 HydrophobicContact CG-CD1 4.29Å; F324-Y619 WeakPolarHBondContact O-CA 3.5Å; I325-Y619 HydrophobicContact CB-CE1 4.23Å; I325-Y619 HydrophobicContact CD1-CE1 3.81Å; I325-Y619 HydrophobicContact CG1-CD1 3.95Å; I325-Y619 HydrophobicContact CG1-CE1 3.61Å; I325-Y619 HydrophobicContact CG2-CD1 4.46Å; I325-Y619 HydrophobicContact CG2-CE1 3.82Å; R356-Y619 HydrophobicContact CB-CD2 4.41Å; R356-Y619 HydrophobicContact CB-CE2 3.67Å; R356-Y619 HydrophobicContact CG-CD2 3.77Å; R356-Y619 HydrophobicContact CG-CE2 3.36Å; Y401-Y619 HydrophobicContact CG-CD2 4.16Å; P402-Y619 HydrophobicContact CG-CE2 4.3Å; P402-Y619 WeakPolarHBondContact O-CE2 3.24Å; P402-Y619 PolarHBondContact O-OH 3.21Å; L449-Y619 HydrophobicContact CD1-CD1 3.73Å; L449-Y619 HydrophobicContact CD1-CD2 4.22Å; L449-Y619 HydrophobicContact CD1-CE1 3.54Å; L449-Y619 HydrophobicContact CD1-CE2 4.03Å; L449-Y619 HydrophobicContact CD1-CG 4.09Å; L449-Y619 HydrophobicContact CD2-CD1 3.87Å; L449-Y619 HydrophobicContact CD2-CD2 4.33Å; L449-Y619 HydrophobicContact CD2-CG 3.77Å; L449-Y619 HydrophobicContact CG-CD1 4.49Å; N614-Y619 PolarHBondContact ND2-O 3.41Å; C617-Y619 VanDerWaalsContact C-N 3.31Å
620	I	98.5	Very high	95.7	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.072	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.5	177.9	-59.4	-68.4	0	0	0	108.4	Y323 F324 R610 F611 P613 N614 K622	Y323-I620 CarbonylContact C-O 3.53Å; Y323-I620 VanDerWaalsContact CA-O 3.24Å; Y323-I620 WeakPolarHBondContact CA-O 3.31Å; F324-I620 HydrophobicContact CB-CB 4.41Å; F324-I620 HydrophobicContact CD2-CG2 4.41Å; F324-I620 PolarHBondContact N-O 3.25Å; F324-I620 PolarHBondContact O-N 3Å; R610-I620 WeakPolarHBondContact O-CG1 3.24Å; F611-I620 HydrophobicContact CD1-CG1 3.66Å; F611-I620 HydrophobicContact CE1-CG1 3.99Å; P613-I620 HydrophobicContact CB-CD1 4.26Å; P613-I620 HydrophobicContact CG-CD1 4.5Å; N614-I620 HydrophobicContact CB-CD1 3.9Å; I620-K622 PolarHBondContact O-N 2.97Å
621	L	98.1	Very high	95.1	Very high	48 Å²	48	31.6 Å²	31.6	25%	0.251	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	129	178.6	-174.1	67.1	0	0	0	109.7	Q314 D315 R318 H322 Y323	Q314-L621 HydrophobicContact CB-CB 4.34Å; D315-L621 HydrophobicContact CB-CD2 4.23Å; R318-L621 HydrophobicContact CB-CD1 4.05Å; R318-L621 HydrophobicContact CG-CD1 3.96Å; H322-L621 HydrophobicContact CB-CD1 4.01Å; Y323-L621 HydrophobicContact CD1-CB 4.08Å; Y323-L621 HydrophobicContact CD1-CD1 4.16Å; Y323-L621 HydrophobicContact CE1-CB 3.98Å; Y323-L621 HydrophobicContact CE1-CD1 3.75Å; Y323-L621 HydrophobicContact CE1-CG 4.46Å; Y323-L621 HydrophobicContact CE2-CD1 4.49Å
622	K	98.1	Very high	94.6	Very high	4 Å²	4	36 Å²	36	2%	0.017	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-68.2	151.7	174.8	-65.8	-171	-70	-173.1	0	110.1	T321 H322 F324 N561 G589 H591 I620 M626	T321-K622 WeakPolarHBondContact O-CE 3.49Å; T321-K622 PolarHBondContact O-NZ 3.48Å; H322-K622 WeakPolarHBondContact O-CB 3.32Å; H322-K622 WeakPolarHBondContact O-CG 3.37Å; H322-K622 PolarHBondContact O-N 2.82Å; F324-K622 HydrophobicContact CD1-CD 4.1Å; F324-K622 HydrophobicContact CD1-CG 3.94Å; F324-K622 HydrophobicContact CD2-CG 3.95Å; F324-K622 HydrophobicContact CE1-CD 3.76Å; F324-K622 HydrophobicContact CE1-CG 3.77Å; F324-K622 HydrophobicContact CE2-CB 4.37Å; F324-K622 HydrophobicContact CE2-CG 3.78Å; F324-K622 HydrophobicContact CG-CG 4.04Å; F324-K622 HydrophobicContact CZ-CB 4.44Å; F324-K622 HydrophobicContact CZ-CD 4.06Å; F324-K622 HydrophobicContact CZ-CG 3.69Å; N561-K622 PolarHBondContact O-NZ 3.01Å; G589-K622 PolarHBondContact O-NZ 2.99Å; H591-K622 PolarHBondContact NE2-NZ 2.89Å; H591-K622 VanDerWaalsContact NE2-NZ 3.14Å; I620-K622 PolarHBondContact O-N 2.97Å; K622-M626 HydrophobicContact CB-CB 4.22Å
623	P	96.8	Very high	94.3	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.052	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-53.9	147.5	172.8	-25	34	0	0	0	112	F625 M626 E715 L716	P623-F625 HydrophobicContact CB-CD1 3.71Å; P623-F625 HydrophobicContact CB-CD2 4.44Å; P623-F625 HydrophobicContact CB-CE1 3.22Å; P623-F625 HydrophobicContact CB-CE2 4.02Å; P623-F625 HydrophobicContact CB-CG 4.3Å; P623-F625 HydrophobicContact CB-CZ 3.39Å; P623-F625 HydrophobicContact CG-CE1 4.08Å; P623-F625 HydrophobicContact CG-CE2 4.46Å; P623-F625 HydrophobicContact CG-CZ 3.82Å; P623-F625 PolarHBondContact O-N 3.05Å; P623-F625 VanDerWaalsContact O-N 3.1Å; P623-M626 HydrophobicContact CB-CG 4.45Å; P623-M626 HydrophobicContact CG-SD 4.24Å; P623-M626 WeakPolarHBondContact O-CB 3.46Å; P623-M626 PolarHBondContact O-N 3.11Å; P623-E715 HydrophobicContact CB-CB 4.29Å; P623-E715 HydrophobicContact CG-CB 4.01Å; P623-L716 HydrophobicContact CG-CD2 3.74Å; P623-L716 HydrophobicContact CG-CG 4.16Å
624	S	95.3	Very high	93.7	Very high	89 Å²	89	36 Å²	36	62%	0.622	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-54.5	-36.4	-174	61.1	0	0	0	0	113.4	M626 C627 S628	S624-M626 PolarHBondContact O-N 2.98Å; S624-C627 PolarHBondContact O-N 3.11Å; S624-C627 VanDerWaalsContact O-N 3.1Å; S624-S628 PolarHBondContact O-N 3.29Å
625	F	93.7	Very high	93.1	Very high	12 Å²	12	36 Å²	36	5%	0.053	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-69.6	-14	177.6	58.4	-97	0	0	0	114.4	P623 S631 F633 P642 G643 V713 E715 L716	P623-F625 HydrophobicContact CB-CD1 3.71Å; P623-F625 HydrophobicContact CB-CD2 4.44Å; P623-F625 HydrophobicContact CB-CE1 3.22Å; P623-F625 HydrophobicContact CB-CE2 4.02Å; P623-F625 HydrophobicContact CB-CG 4.3Å; P623-F625 HydrophobicContact CB-CZ 3.39Å; P623-F625 HydrophobicContact CG-CE1 4.08Å; P623-F625 HydrophobicContact CG-CE2 4.46Å; P623-F625 HydrophobicContact CG-CZ 3.82Å; P623-F625 PolarHBondContact O-N 3.05Å; P623-F625 VanDerWaalsContact O-N 3.1Å; F625-S631 WeakPolarHBondContact O-CB 3.04Å; F625-S631 PolarHBondContact O-OG 3.08Å; F625-F633 HydrophobicContact CD2-CB 4.1Å; F625-F633 HydrophobicContact CD2-CD1 4.17Å; F625-F633 AromaticContact CD2-CD2 3.81Å; F625-F633 HydrophobicContact CD2-CD2 3.81Å; F625-F633 HydrophobicContact CD2-CE2 4.28Å; F625-F633 AromaticContact CD2-CG 3.75Å; F625-F633 HydrophobicContact CD2-CG 3.75Å; F625-F633 HydrophobicContact CE2-CD1 4.14Å; F625-F633 AromaticContact CE2-CD2 3.79Å; F625-F633 HydrophobicContact CE2-CD2 3.79Å; F625-F633 HydrophobicContact CE2-CE1 4.12Å; F625-F633 AromaticContact CE2-CE2 3.77Å; F625-F633 HydrophobicContact CE2-CE2 3.77Å; F625-F633 AromaticContact CE2-CG 3.98Å; F625-F633 HydrophobicContact CE2-CG 3.98Å; F625-F633 AromaticContact CE2-CZ 3.94Å; F625-F633 HydrophobicContact CE2-CZ 3.94Å; F625-P642 HydrophobicContact CB-CB 3.41Å; F625-P642 VanDerWaalsContact CB-CB 3.41Å; F625-P642 HydrophobicContact CG-CB 4.1Å; F625-G643 VanDerWaalsContact CD1-CA 3.46Å; F625-V713 HydrophobicContact CE1-CG1 4.5Å; F625-V713 HydrophobicContact CE2-CG1 4.44Å; F625-V713 HydrophobicContact CZ-CG1 3.76Å; F625-E715 HydrophobicContact CE1-CB 4.49Å; F625-L716 HydrophobicContact CE2-CD1 4.21Å; F625-L716 HydrophobicContact CZ-CD1 4.26Å; F625-L716 HydrophobicContact CZ-CG 4.29Å
626	M	95.1	Very high	92.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-97.6	-0.8	173.2	-55.1	-172.5	79.6	0	0	113	F324 V562 W586 N587 K622 P623 S624 F633 L716	F324-M626 HydrophobicContact CZ-SD 4.4Å; V562-M626 WeakPolarHBondContact CG2-O 3.37Å; W586-M626 WeakPolarHBondContact O-CE 3.16Å; N587-M626 WeakPolarHBondContact O-CE 3.34Å; K622-M626 HydrophobicContact CB-CB 4.22Å; P623-M626 HydrophobicContact CB-CG 4.45Å; P623-M626 HydrophobicContact CG-SD 4.24Å; P623-M626 WeakPolarHBondContact O-CB 3.46Å; P623-M626 PolarHBondContact O-N 3.11Å; S624-M626 PolarHBondContact O-N 2.98Å; M626-F633 HydrophobicContact CE-CE1 4.42Å; M626-L716 HydrophobicContact SD-CD1 4.11Å; M626-L716 HydrophobicContact SD-CD2 3.77Å; M626-L716 HydrophobicContact SD-CG 4.44Å
627	C	93.5	Very high	91.7	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.128	21%	0.214	C	C	.	.	S	Bend	trans	-108.6	-5.6	178.3	-64.9	0	0	0	0	111.9	V562 S624	V562-C627 WeakPolarHBondContact CG1-O 3.34Å; S624-C627 PolarHBondContact O-N 3.11Å; S624-C627 VanDerWaalsContact O-N 3.1Å
628	S	90.8	Very high	90.6	Very high	39 Å²	39	37.1 Å²	37.1	27%	0.273	22%	0.216	S	C	.	.			trans	-93.2	126.6	-179.9	178.6	0	0	0	0	111.6	S624 T630 S631	S624-S628 PolarHBondContact O-N 3.29Å; S628-T630 PolarHBondContact O-N 2.94Å; S628-T630 PolarHBondContact OG-N 2.99Å; S628-T630 PolarHBondContact OG-OG1 3.02Å; S628-S631 VanDerWaalsContact O-CB 3.24Å; S628-S631 WeakPolarHBondContact O-CB 3.26Å; S628-S631 PolarHBondContact O-N 2.95Å; S628-S631 VanDerWaalsContact O-N 3.1Å
629	P	85.9	Confident	88.9	Confident	88 Å²	88	39.9 Å²	39.9	57%	0.571	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.1	177.7	27.8	-34.6	0	0	0	112.8	V562	V562-P629 HydrophobicContact CG1-CB 4.37Å
630	T	86.8	Confident	87.5	Confident	116 Å²	116	42 Å²	42	71%	0.712	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1.2	178	57.7	0	0	0	0	113.2	S628 N632	S628-T630 PolarHBondContact O-N 2.94Å; S628-T630 PolarHBondContact OG-N 2.99Å; S628-T630 PolarHBondContact OG-OG1 3.02Å; T630-N632 PolarHBondContact O-N 3.31Å
631	S	86.8	Confident	86.6	Confident	7 Å²	7	43.5 Å²	43.5	5%	0.049	29%	0.286	C	S	.	.			trans	-57.3	138.4	179.3	-171.9	0	0	0	0	111.8	R559 F625 S628 F633	R559-S631 PolarHBondContact NE-O 2.99Å; R559-S631 PolarHBondContact NH2-O 2.97Å; F625-S631 WeakPolarHBondContact O-CB 3.04Å; F625-S631 PolarHBondContact O-OG 3.08Å; S628-S631 VanDerWaalsContact O-CB 3.24Å; S628-S631 WeakPolarHBondContact O-CB 3.26Å; S628-S631 PolarHBondContact O-N 2.95Å; S628-S631 VanDerWaalsContact O-N 3.1Å; S631-F633 WeakPolarHBondContact OG-CB 3.43Å; S631-F633 PolarHBondContact OG-N 3.01Å
632	N	87.8	Confident	86	Confident	103 Å²	103	43.1 Å²	43.1	55%	0.551	29%	0.287	S	S	*	.			trans	-110.7	18.3	169.4	66	-23	0	0	0	111.6	T630 N634 P642	T630-N632 PolarHBondContact O-N 3.31Å; N632-N634 PolarHBondContact O-N 3.42Å; N632-P642 WeakPolarHBondContact OD1-CD 2.94Å; N632-P642 WeakPolarHBondContact OD1-CG 3.4Å
633	F	90.6	Very high	85.4	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.022	29%	0.294	C	S	.	.			trans	-57.7	129.3	175.4	177.7	-104.7	0	0	0	110.9	V558 N587 F625 M626 S631 P635 T638 P642 V682 V713 L716	V558-F633 HydrophobicContact CG1-CD1 4.44Å; V558-F633 HydrophobicContact CG2-CD1 4.1Å; N587-F633 WeakPolarHBondContact O-CE1 3.48Å; F625-F633 HydrophobicContact CD2-CB 4.1Å; F625-F633 HydrophobicContact CD2-CD1 4.17Å; F625-F633 AromaticContact CD2-CD2 3.81Å; F625-F633 HydrophobicContact CD2-CD2 3.81Å; F625-F633 HydrophobicContact CD2-CE2 4.28Å; F625-F633 AromaticContact CD2-CG 3.75Å; F625-F633 HydrophobicContact CD2-CG 3.75Å; F625-F633 HydrophobicContact CE2-CD1 4.14Å; F625-F633 AromaticContact CE2-CD2 3.79Å; F625-F633 HydrophobicContact CE2-CD2 3.79Å; F625-F633 HydrophobicContact CE2-CE1 4.12Å; F625-F633 AromaticContact CE2-CE2 3.77Å; F625-F633 HydrophobicContact CE2-CE2 3.77Å; F625-F633 AromaticContact CE2-CG 3.98Å; F625-F633 HydrophobicContact CE2-CG 3.98Å; F625-F633 AromaticContact CE2-CZ 3.94Å; F625-F633 HydrophobicContact CE2-CZ 3.94Å; M626-F633 HydrophobicContact CE-CE1 4.42Å; S631-F633 WeakPolarHBondContact OG-CB 3.43Å; S631-F633 PolarHBondContact OG-N 3.01Å; F633-P635 HydrophobicContact CE1-CB 4.22Å; F633-P635 HydrophobicContact CZ-CB 4.48Å; F633-T638 HydrophobicContact CE2-CG2 3.88Å; F633-T638 HydrophobicContact CZ-CG2 4.23Å; F633-P642 HydrophobicContact CB-CB 4.4Å; F633-P642 WeakPolarHBondContact CD2-O 3.43Å; F633-V682 HydrophobicContact CZ-CG1 3.94Å; F633-V713 HydrophobicContact CE2-CG1 4.31Å; F633-V713 HydrophobicContact CE2-CG2 4.37Å; F633-L716 HydrophobicContact CE1-CD1 4.15Å; F633-L716 HydrophobicContact CZ-CD1 3.73Å
634	N	86.9	Confident	85.1	Confident	17 Å²	17	46.3 Å²	46.3	9%	0.091	31%	0.305	C	S	.	.			trans	-125.4	119.4	175.1	-175.7	-28.1	0	0	0	108.5	S551 N632 E636 N637 T638	S551-N634 PolarHBondContact O-ND2 3.44Å; N632-N634 PolarHBondContact O-N 3.42Å; N634-E636 PolarHBondContact O-N 3.19Å; N634-E636 PolarHBondContact OD1-N 3.24Å; N634-N637 HydrophobicContact CB-CB 4.33Å; N634-N637 CarbonylContact O-C 3.45Å; N634-N637 PolarHBondContact O-N 3.33Å; N634-N637 PolarHBondContact OD1-N 2.7Å; N634-T638 WeakPolarHBondContact O-CG2 3.49Å
635	P	84.1	Confident	84.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.5	-177.2	27.9	-36	0	0	0	114.5	N587 F633	N587-P635 HydrophobicContact CB-CB 3.78Å; F633-P635 HydrophobicContact CE1-CB 4.22Å; F633-P635 HydrophobicContact CZ-CB 4.48Å
636	E	83.8	Confident	84.8	Confident	82 Å²	82	46 Å²	46	38%	0.383	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-17	178	-64.7	-60.7	110.5	0	0	112.7	N634	N634-E636 PolarHBondContact O-N 3.19Å; N634-E636 PolarHBondContact OD1-N 3.24Å
637	N	79.1	Confident	84.8	Confident	116 Å²	116	46 Å²	46	62%	0.62	30%	0.301	S	S	*	.			trans	-132.3	81.9	179.1	-171.8	10.1	0	0	0	111	N634	N634-N637 HydrophobicContact CB-CB 4.33Å; N634-N637 CarbonylContact O-C 3.45Å; N634-N637 PolarHBondContact O-N 3.33Å; N634-N637 PolarHBondContact OD1-N 2.7Å
638	T	74.8	Confident	84.9	Confident	10 Å²	10	46.7 Å²	46.7	6%	0.061	30%	0.303	C	S	.	.			trans	-109	11.8	-173.5	53.8	0	0	0	0	113.6	F633 N634 G640 H644 V682 I684 V713	F633-T638 HydrophobicContact CE2-CG2 3.88Å; F633-T638 HydrophobicContact CZ-CG2 4.23Å; N634-T638 WeakPolarHBondContact O-CG2 3.49Å; T638-G640 PolarHBondContact O-N 2.72Å; T638-H644 PolarHBondContact O-ND1 2.95Å; T638-V682 HydrophobicContact CG2-CB 4.15Å; T638-V682 HydrophobicContact CG2-CG1 4.12Å; T638-V682 HydrophobicContact CG2-CG2 4.24Å; T638-I684 WeakPolarHBondContact OG1-CG2 3.48Å; T638-V713 HydrophobicContact CG2-CG2 4Å
639	G	62.1	Low	85.3	Confident	59 Å²	59	44.9 Å²	44.9	61%	0.608	29%	0.29	S	S	*	.	S	Bend	trans	-72.5	34.8	179.8	0	0	0	0	0	115
640	G	69.6	Low	85.9	Confident	45 Å²	45	42.1 Å²	42.1	46%	0.464	27%	0.271	S	S	.	.	S	Bend	trans	135	133.9	-172.1	0	0	0	0	0	110.5	T638	T638-G640 PolarHBondContact O-N 2.72Å
641	G	79.6	Confident	86.4	Confident	46 Å²	46	36.6 Å²	36.6	47%	0.474	24%	0.237	S	C	.	.	S	Bend	trans	133.2	-168.6	-178.5	0	0	0	0	0	114	G643 H644	G641-G643 PolarHBondContact O-N 3.15Å; G641-H644 VanDerWaalsContact O-CB 3.24Å; G641-H644 WeakPolarHBondContact O-CB 3.49Å; G641-H644 PolarHBondContact O-N 3.48Å
642	P	85.1	Confident	87	Confident	40 Å²	40	39.6 Å²	39.6	26%	0.26	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.6	-179.7	-22.6	33.2	0	0	0	111.9	F625 N632 F633 H644	F625-P642 HydrophobicContact CB-CB 3.41Å; F625-P642 VanDerWaalsContact CB-CB 3.41Å; F625-P642 HydrophobicContact CG-CB 4.1Å; N632-P642 WeakPolarHBondContact OD1-CD 2.94Å; N632-P642 WeakPolarHBondContact OD1-CG 3.4Å; F633-P642 HydrophobicContact CB-CB 4.4Å; F633-P642 WeakPolarHBondContact CD2-O 3.43Å; P642-H644 PolarHBondContact O-N 3.39Å
643	G	85.6	Confident	87.5	Confident	16 Å²	16	34.7 Å²	34.7	17%	0.165	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-8.4	-179.1	0	0	0	0	0	115.4	F625 G641 T645	F625-G643 VanDerWaalsContact CD1-CA 3.46Å; G641-G643 PolarHBondContact O-N 3.15Å; G643-T645 PolarHBondContact O-N 2.92Å
644	H	90.3	Very high	87.9	Confident	62 Å²	62	34.7 Å²	34.7	29%	0.287	22%	0.224	S	C	.	.			trans	-68.7	101.8	177.2	-175.1	78.2	0	0	0	110.9	T638 G641 P642 P646 Q712	T638-H644 PolarHBondContact O-ND1 2.95Å; G641-H644 VanDerWaalsContact O-CB 3.24Å; G641-H644 WeakPolarHBondContact O-CB 3.49Å; G641-H644 PolarHBondContact O-N 3.48Å; P642-H644 PolarHBondContact O-N 3.39Å; H644-P646 VanDerWaalsContact NE2-CG 3.29Å; H644-P646 WeakPolarHBondContact NE2-CG 3.47Å; H644-Q712 CarbonylContact C-O 3.32Å; H644-Q712 WeakPolarHBondContact CA-O 3.48Å; H644-Q712 PolarHBondContact CE1-OE1 3.25Å
645	T	90.7	Very high	88.4	Confident	60 Å²	60	34 Å²	34	37%	0.368	22%	0.22	S	C	.	.			trans	-133.9	81.4	-180	-49.7	0	0	0	0	109	G643 T647 Q712 P714	G643-T645 PolarHBondContact O-N 2.92Å; T645-T647 PolarHBondContact O-N 2.89Å; T645-T647 PolarHBondContact O-OG1 3.46Å; T645-Q712 PolarHBondContact N-O 3.01Å; T645-P714 VanDerWaalsContact O-CD 3.31Å; T645-P714 WeakPolarHBondContact O-CD 3.12Å; T645-P714 WeakPolarHBondContact O-CG 3.03Å
646	P	91.4	Very high	88.8	Confident	34 Å²	34	34 Å²	34	22%	0.221	22%	0.22	C	C	.	.			trans	-55.1	124.1	-175.7	-25.6	34.4	0	0	0	111.7	H644 L711 L776	H644-P646 VanDerWaalsContact NE2-CG 3.29Å; H644-P646 WeakPolarHBondContact NE2-CG 3.47Å; P646-L711 CarbonylContact C-O 3.47Å; P646-L711 VanDerWaalsContact CA-O 3.26Å; P646-L711 WeakPolarHBondContact CA-O 3.32Å; P646-L776 HydrophobicContact CB-CB 4.19Å; P646-L776 WeakPolarHBondContact CB-O 3.24Å; P646-L776 PolarHBondContact O-N 2.82Å; P646-L776 VanDerWaalsContact O-O 3.12Å
647	T	94.9	Very high	89	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.7	-170.3	-60.6	0	0	0	0	109.6	T645 L711 F742 V773	T645-T647 PolarHBondContact O-N 2.89Å; T645-T647 PolarHBondContact O-OG1 3.46Å; T647-L711 PolarHBondContact N-O 3.44Å; T647-L711 PolarHBondContact O-N 3Å; T647-F742 HydrophobicContact CG2-CE1 4.42Å; T647-F742 HydrophobicContact CG2-CE2 4.44Å; T647-F742 HydrophobicContact CG2-CZ 3.72Å; T647-V773 HydrophobicContact CG2-CG1 3.55Å
648	Q	96.9	Very high	89	Confident	33 Å²	33	26.6 Å²	26.6	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116	171.6	-178	69.7	68.4	0	0	109	F709 V773 S774 L776	Q648-F709 PolarHBondContact NE2-O 3.23Å; Q648-V773 WeakPolarHBondContact O-CA 3.29Å; Q648-S774 PolarHBondContact N-O 2.82Å; Q648-S774 PolarHBondContact O-N 2.8Å; Q648-L776 HydrophobicContact CB-CD1 3.97Å; Q648-L776 HydrophobicContact CB-CG 4.14Å
649	L	98.1	Very high	89.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.9	167.8	174	60.7	0	0	0	108.7	I651 I679 S708 F709 L711 V719 F742 L745 V771 V773	L649-I651 HydrophobicContact CD1-CD1 4.18Å; L649-I651 HydrophobicContact CD1-CG1 3.91Å; L649-I651 HydrophobicContact CD2-CD1 3.94Å; L649-I651 HydrophobicContact CD2-CG1 4.49Å; L649-I651 HydrophobicContact CG-CD1 4.06Å; L649-I651 HydrophobicContact CG-CG1 4.07Å; L649-I679 HydrophobicContact CD2-CD1 3.93Å; L649-S708 CarbonylContact O-C 3.55Å; L649-S708 WeakPolarHBondContact O-CA 3.46Å; L649-F709 HydrophobicContact CB-CB 4.42Å; L649-F709 PolarHBondContact N-O 3.21Å; L649-F709 PolarHBondContact O-N 2.64Å; L649-L711 HydrophobicContact CB-CD1 4.34Å; L649-V719 HydrophobicContact CD2-CG2 3.94Å; L649-F742 HydrophobicContact CB-CE2 4.32Å; L649-F742 HydrophobicContact CD1-CE2 4.26Å; L649-F742 HydrophobicContact CD2-CD2 4.22Å; L649-F742 HydrophobicContact CD2-CE2 4.35Å; L649-L745 HydrophobicContact CD1-CD2 3.71Å; L649-L745 HydrophobicContact CD2-CD2 4.35Å; L649-V771 HydrophobicContact CD1-CG1 3.93Å; L649-V773 HydrophobicContact CD1-CG2 3.96Å
650	T	98.4	Very high	90.4	Very high	31 Å²	31	25.6 Å²	25.6	19%	0.19	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.9	176	-60.1	0	0	0	0	108.6	T706 L707 S708 K772	T650-T706 HydrophobicContact CG2-CG2 3.4Å; T650-T706 VanDerWaalsContact CG2-CG2 3.4Å; T650-L707 CarbonylContact C-O 3.53Å; T650-L707 WeakPolarHBondContact CA-O 3.43Å; T650-S708 PolarHBondContact OG1-OG 3.21Å; T650-K772 PolarHBondContact N-O 2.59Å; T650-K772 PolarHBondContact O-N 3.38Å
651	I	98.7	Very high	90.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.8	-178.1	-61.7	168	0	0	0	107.7	L649 I653 V677 L707 V719 F721 I769 V771	L649-I651 HydrophobicContact CD1-CD1 4.18Å; L649-I651 HydrophobicContact CD1-CG1 3.91Å; L649-I651 HydrophobicContact CD2-CD1 3.94Å; L649-I651 HydrophobicContact CD2-CG1 4.49Å; L649-I651 HydrophobicContact CG-CD1 4.06Å; L649-I651 HydrophobicContact CG-CG1 4.07Å; I651-I653 HydrophobicContact CG2-CD1 3.58Å; I651-I653 HydrophobicContact CG2-CG1 4.44Å; I651-V677 HydrophobicContact CD1-CG1 3.91Å; I651-L707 PolarHBondContact N-O 3.43Å; I651-L707 PolarHBondContact O-N 2.93Å; I651-V719 HydrophobicContact CD1-CG1 4.11Å; I651-F721 HydrophobicContact CD1-CE1 4.27Å; I651-F721 HydrophobicContact CD1-CZ 4.14Å; I651-F721 HydrophobicContact CG2-CE1 4.22Å; I651-I769 HydrophobicContact CG2-CB 4.32Å; I651-I769 HydrophobicContact CG2-CD1 4.2Å; I651-V771 HydrophobicContact CG1-CG2 4.5Å
652	K	98.6	Very high	90.7	Very high	70 Å²	70	26 Å²	26	30%	0.304	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.1	168.3	-172.5	-178.3	177.2	-166.2	0	108.9	I654 D704 C705 I769 H770	K652-I654 HydrophobicContact CD-CG1 4.22Å; K652-I654 HydrophobicContact CG-CG1 4.11Å; K652-I654 PolarHBondContact O-N 2.83Å; K652-D704 WeakPolarHBondContact CE-OD1 3.24Å; K652-D704 IonicContact NZ-OD1 3.84Å; K652-D704 PolarHBondContact NZ-OD1 3.42Å; K652-C705 CarbonylContact C-O 3.54Å; K652-C705 WeakPolarHBondContact CA-O 3.02Å; K652-I769 CarbonylContact O-C 3.35Å; K652-I769 WeakPolarHBondContact O-CA 3.02Å; K652-H770 HydrophobicContact CB-CB 4.25Å; K652-H770 PolarHBondContact N-O 3.02Å; K652-H770 PolarHBondContact O-N 3.36Å
653	I	98.6	Very high	90	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107.1	171	-51.7	-59.7	0	0	0	107.8	I651 V675 V677 T691 W703 D704 C705 L707 F721 I769	I651-I653 HydrophobicContact CG2-CD1 3.58Å; I651-I653 HydrophobicContact CG2-CG1 4.44Å; I653-V675 HydrophobicContact CD1-CG1 4.12Å; I653-V675 HydrophobicContact CG1-CG1 4.32Å; I653-V675 HydrophobicContact CG2-CB 4.07Å; I653-V675 HydrophobicContact CG2-CG1 4.18Å; I653-V675 HydrophobicContact CG2-CG2 3.99Å; I653-V677 HydrophobicContact CD1-CG2 3.98Å; I653-T691 HydrophobicContact CB-CG2 3.79Å; I653-T691 HydrophobicContact CG1-CG2 3.88Å; I653-T691 HydrophobicContact CG2-CG2 3.9Å; I653-W703 HydrophobicContact CG2-CD2 4.34Å; I653-W703 HydrophobicContact CG2-CE3 3.84Å; I653-W703 HydrophobicContact CG2-CZ3 4.4Å; I653-D704 CarbonylContact O-C 3.51Å; I653-D704 WeakPolarHBondContact O-CA 3.37Å; I653-D704 PolarHBondContact O-N 2.95Å; I653-D704 VanDerWaalsContact O-N 3.13Å; I653-C705 PolarHBondContact N-O 3.1Å; I653-C705 PolarHBondContact O-N 3.47Å; I653-L707 HydrophobicContact CG1-CD1 4.09Å; I653-L707 HydrophobicContact CG1-CG 4.47Å; I653-F721 HydrophobicContact CD1-CE1 4.49Å; I653-I769 HydrophobicContact CD1-CG2 3.71Å
654	I	98.4	Very high	89.1	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-58.4	-172.9	-56.7	168.3	0	0	0	109.6	E233 K652 R702 W703 D704 Y749 F768 H770	E233-I654 HydrophobicContact CB-CG2 3.76Å; E233-I654 HydrophobicContact CG-CG2 3.84Å; K652-I654 HydrophobicContact CD-CG1 4.22Å; K652-I654 HydrophobicContact CG-CG1 4.11Å; K652-I654 PolarHBondContact O-N 2.83Å; I654-R702 WeakPolarHBondContact O-CA 3.38Å; I654-W703 PolarHBondContact O-N 2.79Å; I654-D704 PolarHBondContact O-N 3.12Å; I654-Y749 HydrophobicContact CD1-CD1 3.81Å; I654-Y749 HydrophobicContact CD1-CE1 3.73Å; I654-F768 HydrophobicContact CB-CD1 3.95Å; I654-F768 VanDerWaalsContact CB-O 3.31Å; I654-F768 WeakPolarHBondContact CB-O 3.46Å; I654-F768 HydrophobicContact CD1-CD1 3.84Å; I654-F768 HydrophobicContact CD1-CE1 3.65Å; I654-F768 HydrophobicContact CD1-CZ 4.23Å; I654-F768 HydrophobicContact CG1-CD1 4.5Å; I654-F768 HydrophobicContact CG2-CD1 3.92Å; I654-F768 HydrophobicContact CG2-CE1 4.3Å; I654-F768 PolarHBondContact N-O 3.26Å; I654-H770 HydrophobicContact CD1-CB 4.09Å
655	S	96.8	Very high	87.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	168.9	-176.4	58.6	0	0	0	0	112.1	Q657 P701 L767 F768	S655-Q657 PolarHBondContact OG-NE2 3.04Å; S655-P701 CarbonylContact C-O 3.56Å; S655-P701 WeakPolarHBondContact CA-O 3.25Å; S655-P701 WeakPolarHBondContact CB-O 3.18Å; S655-L767 CarbonylContact O-C 3.57Å; S655-F768 PolarHBondContact N-O 3.36Å; S655-F768 PolarHBondContact O-N 2.75Å
656	A	94.1	Very high	86.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	166.2	165.3	0	0	0	0	0	110	L659 N700 P701 W703 S766 L767	A656-L659 HydrophobicContact CB-CD1 4.04Å; A656-L659 HydrophobicContact CB-CD2 4.11Å; A656-L659 HydrophobicContact CB-CG 4.08Å; A656-N700 CarbonylContact O-C 3.58Å; A656-N700 WeakPolarHBondContact O-CA 3.38Å; A656-P701 HydrophobicContact CB-CG 3.75Å; A656-P701 PolarHBondContact N-O 3.49Å; A656-W703 HydrophobicContact CB-CH2 3.8Å; A656-W703 HydrophobicContact CB-CZ3 3.68Å; A656-S766 CarbonylContact C-O 3.6Å; A656-S766 WeakPolarHBondContact CA-O 3.45Å; A656-S766 WeakPolarHBondContact CB-O 3.34Å; A656-L767 HydrophobicContact CB-CD2 3.55Å
657	Q	86.4	Confident	85.1	Confident	16 Å²	16	41.5 Å²	41.5	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.2	175.8	-63	77.2	45.2	0	0	109	S655 L659 F699 H751 A765 S766	S655-Q657 PolarHBondContact OG-NE2 3.04Å; Q657-L659 VanDerWaalsContact C-N 3.33Å; Q657-L659 PolarHBondContact O-N 2.95Å; Q657-F699 CarbonylContact C-O 3.59Å; Q657-F699 WeakPolarHBondContact CA-O 3.36Å; Q657-H751 PolarHBondContact OE1-CE1 3.08Å; Q657-H751 VanDerWaalsContact OE1-CE1 3.27Å; Q657-A765 VanDerWaalsContact O-CA 3.24Å; Q657-A765 WeakPolarHBondContact O-CA 3.21Å; Q657-S766 PolarHBondContact N-O 3.24Å; Q657-S766 PolarHBondContact O-N 2.75Å; Q657-S766 VanDerWaalsContact O-N 3.14Å; Q657-S766 PolarHBondContact OE1-O 2.75Å; Q657-S766 PolarHBondContact OE1-OG 2.6Å
658	Q	80.5	Confident	83.8	Confident	28 Å²	28	46.1 Å²	46.1	13%	0.131	25%	0.245	C	C	.	.			trans	52.8	45.9	163.3	-66.8	166.5	1.6	0	0	114	F699 P764 A765	Q658-F699 HydrophobicContact CG-CD2 3.84Å; Q658-F699 HydrophobicContact CG-CE2 3.72Å; Q658-F699 HydrophobicContact CG-CZ 4.46Å; Q658-F699 PolarHBondContact N-O 3.42Å; Q658-P764 HydrophobicContact CB-CG 4.11Å; Q658-A765 VanDerWaalsContact O-CB 3.31Å; Q658-A765 WeakPolarHBondContact O-CB 3.18Å
659	L	85.8	Confident	82.9	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.026	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-61.9	134.2	171.7	-58	175.3	0	0	0	109.2	N193 A656 Q657 V671 P673 G698 P701 V723 V735 L754	N193-L659 PolarHBondContact ND2-O 3.38Å; A656-L659 HydrophobicContact CB-CD1 4.04Å; A656-L659 HydrophobicContact CB-CD2 4.11Å; A656-L659 HydrophobicContact CB-CG 4.08Å; Q657-L659 VanDerWaalsContact C-N 3.33Å; Q657-L659 PolarHBondContact O-N 2.95Å; L659-V671 HydrophobicContact CB-CG2 4.49Å; L659-P673 HydrophobicContact CD1-CB 3.48Å; L659-P673 VanDerWaalsContact CD1-CB 3.48Å; L659-P673 HydrophobicContact CD1-CG 3.94Å; L659-G698 WeakPolarHBondContact CA-O 3.37Å; L659-G698 WeakPolarHBondContact CB-O 3.48Å; L659-G698 WeakPolarHBondContact CG-O 3.4Å; L659-G698 PolarHBondContact N-O 2.94Å; L659-P701 HydrophobicContact CD1-CG 4.13Å; L659-V723 HydrophobicContact CD1-CG1 3.77Å; L659-V723 HydrophobicContact CD2-CG1 4.06Å; L659-V723 HydrophobicContact CD2-CG2 4.43Å; L659-V735 HydrophobicContact CB-CG1 4.03Å; L659-V735 HydrophobicContact CD2-CG1 4.28Å; L659-L754 HydrophobicContact CD2-CD1 3.58Å
660	P	79.4	Confident	82.1	Confident	43 Å²	43	47 Å²	47	28%	0.279	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-66.1	151.7	-178.2	29.5	-37.4	0	0	0	111.3	N193 V735 L762	N193-P660 PolarHBondContact ND2-O 3.04Å; P660-V735 HydrophobicContact CG-CG1 3.94Å; P660-L762 HydrophobicContact CB-CD2 4.48Å; P660-L762 HydrophobicContact CG-CD1 4.34Å; P660-L762 HydrophobicContact CG-CD2 3.92Å
661	K	78.3	Confident	81.5	Confident	34 Å²	34	45.6 Å²	45.6	15%	0.148	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-69.5	135.3	163.6	-76.3	-179.8	175.4	-104.2	0	109.7	Q190 M191 N193 T664 A667 S669	Q190-K661 WeakPolarHBondContact O-CE 3.48Å; Q190-K661 PolarHBondContact O-NZ 3.45Å; M191-K661 WeakPolarHBondContact O-CE 3.21Å; N193-K661 HydrophobicContact CB-CD 4.49Å; N193-K661 HydrophobicContact CB-CG 3.8Å; N193-K661 VanDerWaalsContact CG-CG 3.43Å; N193-K661 WeakPolarHBondContact OD1-CG 3.48Å; K661-T664 HydrophobicContact CB-CG2 4.24Å; K661-A667 PolarHBondContact NZ-O 3.3Å; K661-S669 PolarHBondContact NZ-O 2.9Å
662	I	76.9	Confident	81.2	Confident	64 Å²	64	46.8 Å²	46.8	33%	0.328	25%	0.252	S	S	.	.	S	Bend	trans	-77	-50.5	172.9	-56.6	-171.3	0	0	0	109.8	V671 D725 D733 V735	I662-V671 HydrophobicContact CG1-CG1 4.06Å; I662-D725 HydrophobicContact CD1-CB 3.41Å; I662-D725 VanDerWaalsContact CD1-CB 3.41Å; I662-D725 HydrophobicContact CG1-CB 4.46Å; I662-D733 HydrophobicContact CD1-CB 3.39Å; I662-D733 HydrophobicContact CG2-CB 4.4Å; I662-V735 HydrophobicContact CD1-CG2 3.78Å; I662-V735 HydrophobicContact CG1-CG2 4.23Å
663	N	71.1	Confident	81	Confident	53 Å²	53	43.5 Å²	43.5	28%	0.283	24%	0.237	S	C	.	.			trans	-99.7	99.6	175.8	-169	-20.9	0	0	0	111.2	E665 K666	N663-E665 PolarHBondContact OD1-N 3.02Å; N663-E665 VanDerWaalsContact OD1-N 3.08Å; N663-K666 PolarHBondContact OD1-N 3.47Å
664	T	66.1	Low	80.9	Confident	116 Å²	116	44 Å²	44	71%	0.712	24%	0.24	S	C	*	.	S	Bend	trans	-81.8	-15.6	178.5	49.5	0	0	0	0	113.6	K661	K661-T664 HydrophobicContact CB-CG2 4.24Å
665	E	62	Low	80.9	Confident	186 Å²	186	43.8 Å²	43.8	87%	0.869	24%	0.239	S	C	*	.	S	Bend	trans	-76.3	-28.6	179.2	-60.5	-172.6	168.6	0	0	112.2	N663	N663-E665 PolarHBondContact OD1-N 3.02Å; N663-E665 VanDerWaalsContact OD1-N 3.08Å
666	K	64.6	Low	81	Confident	132 Å²	132	43.8 Å²	43.8	57%	0.574	24%	0.238	S	C	*	.			trans	-106.1	102.9	176.8	-67.5	-176.8	-177.4	178.1	0	109.9	N663 T668 S669	N663-K666 PolarHBondContact OD1-N 3.47Å; K666-T668 PolarHBondContact O-N 2.74Å; K666-T668 VanDerWaalsContact O-N 3.11Å; K666-S669 VanDerWaalsContact O-CB 3.27Å; K666-S669 WeakPolarHBondContact O-CB 3.41Å; K666-S669 PolarHBondContact O-N 2.88Å
667	A	61.7	Low	81.2	Confident	52 Å²	52	43.8 Å²	43.8	43%	0.43	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.3	179.1	0	0	0	0	0	113.4	K661 S669	K661-A667 PolarHBondContact NZ-O 3.3Å; A667-S669 VanDerWaalsContact C-N 3.29Å; A667-S669 PolarHBondContact O-N 3.29Å
668	T	67.5	Low	81.8	Confident	100 Å²	100	43.6 Å²	43.6	61%	0.613	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.2	177.3	60.2	0	0	0	0	114.2	K666 I670	K666-T668 PolarHBondContact O-N 2.74Å; K666-T668 VanDerWaalsContact O-N 3.11Å; T668-I670 PolarHBondContact O-N 2.89Å
669	S	78.4	Confident	82.7	Confident	39 Å²	39	42.4 Å²	42.4	27%	0.273	23%	0.232	S	C	.	.			trans	-76.5	111.3	176.2	-159.5	0	0	0	0	108.4	K661 K666 A667	K661-S669 PolarHBondContact NZ-O 2.9Å; K666-S669 VanDerWaalsContact O-CB 3.27Å; K666-S669 WeakPolarHBondContact O-CB 3.41Å; K666-S669 PolarHBondContact O-N 2.88Å; A667-S669 VanDerWaalsContact C-N 3.29Å; A667-S669 PolarHBondContact O-N 3.29Å
670	I	81.4	Confident	83.3	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.062	23%	0.232	C	C	.	.			trans	-123	138.1	179.9	-63.2	162.3	0	0	0	106.7	Q190 N193 D195 T668 N696	Q190-I670 HydrophobicContact CG-CD1 4.28Å; N193-I670 WeakPolarHBondContact OD1-CA 3.44Å; D195-I670 HydrophobicContact CB-CD1 3.57Å; T668-I670 PolarHBondContact O-N 2.89Å; I670-N696 HydrophobicContact CB-CB 4.39Å; I670-N696 HydrophobicContact CG2-CB 4.06Å; I670-N696 WeakPolarHBondContact CG2-O 3.41Å
671	V	86.2	Confident	84	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	22%	0.223	C	C	.	.			trans	-74.1	143.5	-175.8	-57.4	0	0	0	0	110.6	N193 L659 I662 P673 N697 D725	N193-V671 VanDerWaalsContact ND2-CG2 3.28Å; N193-V671 WeakPolarHBondContact ND2-CG2 3.49Å; N193-V671 PolarHBondContact OD1-N 2.85Å; L659-V671 HydrophobicContact CB-CG2 4.49Å; I662-V671 HydrophobicContact CG1-CG1 4.06Å; V671-P673 VanDerWaalsContact C-CD 3.41Å; V671-P673 WeakPolarHBondContact O-CD 3.4Å; V671-N697 PolarHBondContact O-N 3Å; V671-D725 WeakPolarHBondContact CA-OD1 3.44Å; V671-D725 HydrophobicContact CB-CB 4.23Å; V671-D725 HydrophobicContact CG1-CB 4.32Å
672	D	92.1	Very high	84.7	Confident	25 Å²	25	39.2 Å²	39.2	13%	0.134	22%	0.216	C	C	.	.			trans	-103.8	74.1	173.2	-69.7	-21.2	0	0	0	109.4	Q674 I694 D695 N696 D725 H726	D672-Q674 PolarHBondContact O-N 3.06Å; D672-I694 CarbonylContact C-O 3.46Å; D672-I694 VanDerWaalsContact C-O 3.32Å; D672-I694 WeakPolarHBondContact CA-O 3.5Å; D672-D695 WeakPolarHBondContact OD1-CA 3.43Å; D672-N696 PolarHBondContact OD1-N 3.37Å; D672-D725 PolarHBondContact N-OD1 3.07Å; D672-H726 HydrophobicContact CB-CB 4.06Å; D672-H726 WeakPolarHBondContact O-CB 3.47Å; D672-H726 PolarHBondContact O-N 3.14Å
673	P	95	Very high	85.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	138.1	-162	28.3	-37.4	0	0	0	113	L659 V671 R693 I694 N697 P701 W703 V723 E724	L659-P673 HydrophobicContact CD1-CB 3.48Å; L659-P673 VanDerWaalsContact CD1-CB 3.48Å; L659-P673 HydrophobicContact CD1-CG 3.94Å; V671-P673 VanDerWaalsContact C-CD 3.41Å; V671-P673 WeakPolarHBondContact O-CD 3.4Å; P673-R693 WeakPolarHBondContact O-CA 3.5Å; P673-I694 WeakPolarHBondContact CD-O 3.46Å; P673-I694 HydrophobicContact CG-CB 4.42Å; P673-I694 PolarHBondContact O-N 3.23Å; P673-N697 WeakPolarHBondContact CD-O 3.42Å; P673-N697 WeakPolarHBondContact CG-O 3.36Å; P673-P701 HydrophobicContact CG-CB 3.82Å; P673-P701 HydrophobicContact CG-CG 3.78Å; P673-W703 HydrophobicContact CB-CH2 4.25Å; P673-W703 HydrophobicContact CB-CZ2 3.88Å; P673-W703 HydrophobicContact CG-CH2 4.33Å; P673-W703 HydrophobicContact CG-CZ2 3.93Å; P673-W703 WeakPolarHBondContact O-CZ2 3.41Å; P673-V723 HydrophobicContact CB-CG1 4.22Å; P673-E724 CarbonylContact C-O 3.52Å; P673-E724 WeakPolarHBondContact CA-O 3.39Å
674	Q	96.4	Very high	86.2	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	169.1	171.7	163.7	81.1	0	0	108.9	D672 K690 T691 R693 V723 E724	D672-Q674 PolarHBondContact O-N 3.06Å; Q674-K690 HydrophobicContact CG-CB 4.38Å; Q674-T691 WeakPolarHBondContact CG-O 3.18Å; Q674-T691 PolarHBondContact NE2-O 2.96Å; Q674-R693 HydrophobicContact CB-CB 4.37Å; Q674-V723 WeakPolarHBondContact O-CA 3.47Å; Q674-E724 PolarHBondContact N-O 3.45Å; Q674-E724 PolarHBondContact O-N 3.29Å
675	V	98.4	Very high	87.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.3	176.2	-177.3	0	0	0	0	109.3	I653 V677 K690 T691 W703 V722 V723 L767	I653-V675 HydrophobicContact CD1-CG1 4.12Å; I653-V675 HydrophobicContact CG1-CG1 4.32Å; I653-V675 HydrophobicContact CG2-CB 4.07Å; I653-V675 HydrophobicContact CG2-CG1 4.18Å; I653-V675 HydrophobicContact CG2-CG2 3.99Å; V675-V677 HydrophobicContact CG1-CG2 4.49Å; V675-K690 CarbonylContact O-C 3.5Å; V675-K690 VanDerWaalsContact O-CA 3.26Å; V675-K690 WeakPolarHBondContact O-CA 3.43Å; V675-T691 HydrophobicContact CB-CG2 3.97Å; V675-T691 PolarHBondContact N-OG1 3.13Å; V675-T691 PolarHBondContact O-N 2.79Å; V675-T691 PolarHBondContact O-OG1 3.13Å; V675-W703 HydrophobicContact CG2-CD2 4.49Å; V675-W703 HydrophobicContact CG2-CE3 4.31Å; V675-W703 HydrophobicContact CG2-CH2 3.64Å; V675-W703 HydrophobicContact CG2-CZ2 3.87Å; V675-W703 HydrophobicContact CG2-CZ3 3.86Å; V675-V722 WeakPolarHBondContact CA-O 3.3Å; V675-V723 HydrophobicContact CG2-CG2 4.39Å; V675-L767 HydrophobicContact CG1-CD1 3.84Å; V675-L767 HydrophobicContact CG2-CD1 4.46Å; V675-L767 HydrophobicContact CG2-CD2 3.92Å
676	V	98.5	Very high	89.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.5	173.7	-177.8	0	0	0	0	108.4	E678 K688 K690 V722	V676-E678 HydrophobicContact CG1-CG 3.79Å; V676-K688 HydrophobicContact CG1-CD 3.95Å; V676-K688 HydrophobicContact CG1-CG 3.75Å; V676-K690 HydrophobicContact CB-CB 4.5Å; V676-K690 HydrophobicContact CG2-CB 3.99Å; V676-V722 HydrophobicContact CB-CB 4.29Å; V676-V722 PolarHBondContact N-O 2.76Å; V676-V722 PolarHBondContact O-N 3.43Å
677	V	98.8	Very high	90.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.7	169.7	-178.3	0	0	0	0	108.8	I651 I653 V675 K688 N689 L707 F709 V719 R720 F721	I651-V677 HydrophobicContact CD1-CG1 3.91Å; I653-V677 HydrophobicContact CD1-CG2 3.98Å; V675-V677 HydrophobicContact CG1-CG2 4.49Å; V677-K688 WeakPolarHBondContact O-CA 3.31Å; V677-N689 PolarHBondContact N-O 2.83Å; V677-N689 PolarHBondContact O-N 2.81Å; V677-L707 HydrophobicContact CB-CD1 4.02Å; V677-L707 HydrophobicContact CG2-CD1 3.79Å; V677-F709 HydrophobicContact CB-CE2 4.06Å; V677-F709 HydrophobicContact CB-CZ 3.83Å; V677-F709 HydrophobicContact CG1-CE2 3.71Å; V677-F709 HydrophobicContact CG1-CZ 3.81Å; V677-F709 WeakPolarHBondContact O-CZ 3.48Å; V677-V719 HydrophobicContact CG1-CG1 4.03Å; V677-R720 WeakPolarHBondContact CA-O 3.23Å; V677-F721 HydrophobicContact CG2-CD1 3.81Å; V677-F721 HydrophobicContact CG2-CE1 4Å
678	E	98.6	Very high	92.3	Very high	13 Å²	13	33 Å²	33	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.9	-177.4	-53	179.3	160.6	0	0	110	V676 H680 A687 K688 R720	V676-E678 HydrophobicContact CG1-CG 3.79Å; E678-H680 IonicContact OE2-CE1 3.76Å; E678-H680 IonicContact OE2-NE2 2.7Å; E678-H680 PolarHBondContact OE2-NE2 3.24Å; E678-H680 VanDerWaalsContact OE2-NE2 3.07Å; E678-A687 CarbonylContact C-O 3.51Å; E678-A687 WeakPolarHBondContact CA-O 3.49Å; E678-K688 HydrophobicContact CG-CB 4.32Å; E678-K688 HydrophobicContact CG-CD 4.04Å; E678-K688 HydrophobicContact CG-CG 3.99Å; E678-K688 WeakPolarHBondContact OE1-CD 3.24Å; E678-K688 IonicContact OE1-NZ 3.73Å; E678-K688 PolarHBondContact OE1-NZ 3.19Å; E678-R720 HydrophobicContact CB-CB 4.27Å; E678-R720 PolarHBondContact N-O 3.13Å; E678-R720 PolarHBondContact O-N 3.48Å; E678-R720 IonicContact OE1-NH1 3.62Å; E678-R720 IonicContact OE2-CZ 4Å; E678-R720 IonicContact OE2-NH1 2.71Å; E678-R720 PolarHBondContact OE2-NH1 2.99Å
679	I	98.6	Very high	93.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.6	171.8	-52.9	-57.6	0	0	0	107.6	L649 D685 R686 A687 F709 L711 A717 L718 V719	L649-I679 HydrophobicContact CD2-CD1 3.93Å; I679-D685 WeakPolarHBondContact CB-O 3.06Å; I679-D685 HydrophobicContact CG2-CB 4.47Å; I679-D685 WeakPolarHBondContact CG2-O 3.42Å; I679-R686 WeakPolarHBondContact O-CA 3.5Å; I679-A687 HydrophobicContact CB-CB 4.37Å; I679-A687 HydrophobicContact CG1-CB 4.42Å; I679-A687 PolarHBondContact N-O 3.08Å; I679-A687 PolarHBondContact O-N 3.33Å; I679-F709 HydrophobicContact CD1-CB 4.35Å; I679-F709 HydrophobicContact CD1-CD1 4.37Å; I679-F709 HydrophobicContact CD1-CD2 4.3Å; I679-F709 HydrophobicContact CD1-CG 4.09Å; I679-F709 HydrophobicContact CG1-CB 3.95Å; I679-F709 HydrophobicContact CG1-CD1 3.6Å; I679-F709 HydrophobicContact CG1-CD2 4.38Å; I679-F709 HydrophobicContact CG1-CE1 4.15Å; I679-F709 HydrophobicContact CG1-CG 3.71Å; I679-L711 HydrophobicContact CB-CD2 4.48Å; I679-L711 HydrophobicContact CG1-CD2 4.33Å; I679-L711 HydrophobicContact CG2-CD2 3.48Å; I679-L711 VanDerWaalsContact CG2-CD2 3.48Å; I679-A717 HydrophobicContact CG2-CB 4.3Å; I679-L718 WeakPolarHBondContact CA-O 3.36Å; I679-V719 HydrophobicContact CD1-CB 4.45Å; I679-V719 HydrophobicContact CD1-CG1 4.22Å; I679-V719 HydrophobicContact CD1-CG2 3.97Å
680	H	98.5	Very high	94.7	Very high	8 Å²	8	35 Å²	35	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.9	175.7	-68	-99.5	0	0	0	108.4	Q583 E602 L606 E678 A717 L718	Q583-H680 HydrophobicContact CG-CB 4.34Å; E602-H680 IonicContact OE1-CE1 3.22Å; E602-H680 PolarHBondContact OE1-CE1 2.88Å; L606-H680 HydrophobicContact CD2-CB 4.08Å; E678-H680 IonicContact OE2-CE1 3.76Å; E678-H680 IonicContact OE2-NE2 2.7Å; E678-H680 PolarHBondContact OE2-NE2 3.24Å; E678-H680 VanDerWaalsContact OE2-NE2 3.07Å; H680-A717 CarbonylContact O-C 3.59Å; H680-A717 WeakPolarHBondContact O-CA 3.48Å; H680-L718 HydrophobicContact CB-CB 4.28Å; H680-L718 PolarHBondContact N-O 3.15Å; H680-L718 PolarHBondContact O-N 3.33Å
681	G	95.7	Very high	95.5	Very high	8 Å²	8	34.5 Å²	34.5	8%	0.082	17%	0.174	C	C	.	.	S	Bend	trans	-165.3	-146.8	-174.6	0	0	0	0	0	111.1	Q583 N587	Q583-G681 WeakPolarHBondContact CG-O 3.48Å; N587-G681 PolarHBondContact ND2-O 3.11Å
682	V	92.4	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-62	158.4	165.7	-66	0	0	0	0	110.5	F633 T638 I684 D685 R686 V713 L716	F633-V682 HydrophobicContact CZ-CG1 3.94Å; T638-V682 HydrophobicContact CG2-CB 4.15Å; T638-V682 HydrophobicContact CG2-CG1 4.12Å; T638-V682 HydrophobicContact CG2-CG2 4.24Å; V682-I684 HydrophobicContact CG2-CG2 3.81Å; V682-I684 PolarHBondContact O-N 3.19Å; V682-I684 VanDerWaalsContact O-N 3.12Å; V682-D685 HydrophobicContact CG2-CB 3.97Å; V682-D685 PolarHBondContact O-N 2.85Å; V682-R686 PolarHBondContact O-N 3.1Å; V682-V713 HydrophobicContact CG1-CB 4.37Å; V682-V713 HydrophobicContact CG1-CG2 4.44Å; V682-V713 HydrophobicContact CG2-CB 3.9Å; V682-V713 HydrophobicContact CG2-CG2 3.85Å; V682-L716 HydrophobicContact CG1-CD1 3.89Å
683	A	89.4	Confident	96.1	Very high	54 Å²	54	41.1 Å²	41.1	45%	0.446	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-53.3	-40	-171.5	0	0	0	0	0	113.6	D685 R686	A683-D685 VanDerWaalsContact C-N 3.31Å; A683-D685 PolarHBondContact O-N 3.28Å; A683-R686 PolarHBondContact O-N 2.86Å
684	I	89.4	Confident	96	Very high	97 Å²	97	43.2 Å²	43.2	50%	0.497	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.8	-24.2	179.1	-164.1	162.4	0	0	0	114.1	T638 V682 Q712	T638-I684 WeakPolarHBondContact OG1-CG2 3.48Å; V682-I684 HydrophobicContact CG2-CG2 3.81Å; V682-I684 PolarHBondContact O-N 3.19Å; V682-I684 VanDerWaalsContact O-N 3.12Å; I684-Q712 HydrophobicContact CD1-CG 4.06Å; I684-Q712 HydrophobicContact CG1-CG 4.09Å; I684-Q712 HydrophobicContact CG2-CB 3.85Å; I684-Q712 HydrophobicContact CG2-CG 3.69Å
685	D	93.6	Very high	95.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-89.9	-14.2	-177.8	-72.8	-3.9	0	0	0	112.1	I679 V682 A683 A687 L711 Q712 V713	I679-D685 WeakPolarHBondContact CB-O 3.06Å; I679-D685 HydrophobicContact CG2-CB 4.47Å; I679-D685 WeakPolarHBondContact CG2-O 3.42Å; V682-D685 HydrophobicContact CG2-CB 3.97Å; V682-D685 PolarHBondContact O-N 2.85Å; A683-D685 VanDerWaalsContact C-N 3.31Å; A683-D685 PolarHBondContact O-N 3.28Å; D685-A687 PolarHBondContact O-N 2.64Å; D685-A687 VanDerWaalsContact O-N 3.12Å; D685-L711 HydrophobicContact CB-CD2 4.43Å; D685-Q712 VanDerWaalsContact CG-N 3.34Å; D685-Q712 WeakPolarHBondContact OD1-CA 3.33Å; D685-Q712 VanDerWaalsContact OD1-CB 3.32Å; D685-Q712 WeakPolarHBondContact OD1-CB 3.5Å; D685-Q712 WeakPolarHBondContact OD1-CG 3.45Å; D685-Q712 PolarHBondContact OD1-N 3.33Å; D685-Q712 PolarHBondContact OD2-N 3.1Å; D685-V713 PolarHBondContact OD2-N 3.38Å
686	R	95	Very high	95.1	Very high	161 Å²	161	49.9 Å²	49.9	61%	0.608	26%	0.255	S	S	*	.			trans	-65.1	114.6	-176.8	-172.6	178.7	177	174.4	2.7	110.1	I679 V682 A683	I679-R686 WeakPolarHBondContact O-CA 3.5Å; V682-R686 PolarHBondContact O-N 3.1Å; A683-R686 PolarHBondContact O-N 2.86Å
687	A	96.9	Very high	94.5	Very high	38 Å²	38	51.1 Å²	51.1	31%	0.314	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.7	-176.3	0	0	0	0	0	111.3	E678 I679 D685 F709	E678-A687 CarbonylContact C-O 3.51Å; E678-A687 WeakPolarHBondContact CA-O 3.49Å; I679-A687 HydrophobicContact CB-CB 4.37Å; I679-A687 HydrophobicContact CG1-CB 4.42Å; I679-A687 PolarHBondContact N-O 3.08Å; I679-A687 PolarHBondContact O-N 3.33Å; D685-A687 PolarHBondContact O-N 2.64Å; D685-A687 VanDerWaalsContact O-N 3.12Å; A687-F709 HydrophobicContact CB-CD1 3.78Å; A687-F709 HydrophobicContact CB-CE1 4.29Å
688	K	97.8	Very high	93.8	Very high	122 Å²	122	51.1 Å²	51.1	53%	0.53	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133	176.6	172.8	169.2	174.9	140.4	0	109.2	V676 V677 E678	V676-K688 HydrophobicContact CG1-CD 3.95Å; V676-K688 HydrophobicContact CG1-CG 3.75Å; V677-K688 WeakPolarHBondContact O-CA 3.31Å; E678-K688 HydrophobicContact CG-CB 4.32Å; E678-K688 HydrophobicContact CG-CD 4.04Å; E678-K688 HydrophobicContact CG-CG 3.99Å; E678-K688 WeakPolarHBondContact OE1-CD 3.24Å; E678-K688 IonicContact OE1-NZ 3.73Å; E678-K688 PolarHBondContact OE1-NZ 3.19Å
689	N	98.2	Very high	93.1	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.2	173.3	-153.3	-11.9	0	0	0	110	V677 L707 F709	V677-N689 PolarHBondContact N-O 2.83Å; V677-N689 PolarHBondContact O-N 2.81Å; N689-L707 HydrophobicContact CB-CB 4.48Å; N689-L707 HydrophobicContact CB-CD1 4.49Å; N689-L707 HydrophobicContact CB-CD2 4.21Å; N689-F709 HydrophobicContact CB-CE1 3.77Å; N689-F709 HydrophobicContact CB-CZ 3.7Å
690	K	97.8	Very high	92.5	Very high	109 Å²	109	52.4 Å²	52.4	47%	0.474	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.2	-172	67.6	-173.8	-168.7	165.8	0	113	Q674 V675 V676	Q674-K690 HydrophobicContact CG-CB 4.38Å; V675-K690 CarbonylContact O-C 3.5Å; V675-K690 VanDerWaalsContact O-CA 3.26Å; V675-K690 WeakPolarHBondContact O-CA 3.43Å; V676-K690 HydrophobicContact CB-CB 4.5Å; V676-K690 HydrophobicContact CG2-CB 3.99Å
691	T	98.3	Very high	92.2	Very high	3 Å²	3	52 Å²	52	2%	0.018	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75.5	163.7	171.7	66.5	0	0	0	0	110.8	I653 Q674 V675 W703 C705	I653-T691 HydrophobicContact CB-CG2 3.79Å; I653-T691 HydrophobicContact CG1-CG2 3.88Å; I653-T691 HydrophobicContact CG2-CG2 3.9Å; Q674-T691 WeakPolarHBondContact CG-O 3.18Å; Q674-T691 PolarHBondContact NE2-O 2.96Å; V675-T691 HydrophobicContact CB-CG2 3.97Å; V675-T691 PolarHBondContact N-OG1 3.13Å; V675-T691 PolarHBondContact O-N 2.79Å; V675-T691 PolarHBondContact O-OG1 3.13Å; T691-W703 HydrophobicContact CG2-CB 4.36Å; T691-W703 HydrophobicContact CG2-CG 4.17Å; T691-W703 PolarHBondContact OG1-NE1 2.81Å; T691-C705 HydrophobicContact CG2-CB 3.96Å
692	P	96.8	Very high	92.1	Very high	84 Å²	84	56.1 Å²	56.1	55%	0.545	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-55.7	159.3	156.3	-20.6	33.4	0	0	0	110.6	W703	P692-W703 PolarHBondContact O-NE1 3.31Å
693	R	94.4	Very high	92.3	Very high	82 Å²	82	57.4 Å²	57.4	31%	0.309	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-78.4	158.7	168.9	74.4	-174.4	-171.6	-126.2	-2.1	110.5	P673 Q674 D695 H726 H728	P673-R693 WeakPolarHBondContact O-CA 3.5Å; Q674-R693 HydrophobicContact CB-CB 4.37Å; R693-D695 IonicContact CZ-OD1 3.57Å; R693-D695 IonicContact NE-OD1 3.29Å; R693-D695 PolarHBondContact NE-OD1 3.28Å; R693-D695 IonicContact NH2-OD1 3.93Å; R693-H726 HydrophobicContact CB-CB 4.14Å; R693-H726 WeakPolarHBondContact CD-CD2 3.48Å; R693-H726 PolarHBondContact NH1-CD2 2.64Å; R693-H726 PolarHBondContact NH1-NE2 3.1Å; R693-H728 PolarHBondContact NH1-CE1 2.85Å; R693-H728 PolarHBondContact NH1-NE2 2.99Å; R693-H728 PolarHBondContact NH2-CE1 3.22Å; R693-H728 PolarHBondContact NH2-NE2 3.4Å
694	I	93	Very high	92.6	Very high	44 Å²	44	58.6 Å²	58.6	23%	0.226	28%	0.283	C	S	.	.			trans	-113.5	124.8	166	-62.1	-62.8	0	0	0	107	D672 P673 N697 P701 R702 W703	D672-I694 CarbonylContact C-O 3.46Å; D672-I694 VanDerWaalsContact C-O 3.32Å; D672-I694 WeakPolarHBondContact CA-O 3.5Å; P673-I694 WeakPolarHBondContact CD-O 3.46Å; P673-I694 HydrophobicContact CG-CB 4.42Å; P673-I694 PolarHBondContact O-N 3.23Å; I694-N697 HydrophobicContact CG2-CB 3.91Å; I694-P701 HydrophobicContact CB-CB 4.09Å; I694-P701 HydrophobicContact CG1-CB 4.1Å; I694-P701 HydrophobicContact CG2-CB 4.11Å; I694-R702 VanDerWaalsContact CD1-O 3.26Å; I694-R702 WeakPolarHBondContact CD1-O 3.48Å; I694-W703 HydrophobicContact CG1-CD2 4.36Å; I694-W703 HydrophobicContact CG1-CG 4.36Å; I694-W703 HydrophobicContact CG1-CZ2 4.31Å
695	D	89.8	Confident	93	Very high	92 Å²	92	55.3 Å²	55.3	49%	0.492	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	134.1	-178.2	-53.6	-42.3	0	0	0	110.5	D672 R693 N697	D672-D695 WeakPolarHBondContact OD1-CA 3.43Å; R693-D695 IonicContact CZ-OD1 3.57Å; R693-D695 IonicContact NE-OD1 3.29Å; R693-D695 PolarHBondContact NE-OD1 3.28Å; R693-D695 IonicContact NH2-OD1 3.93Å; D695-N697 PolarHBondContact O-N 2.84Å
696	N	85.3	Confident	93.3	Very high	60 Å²	60	59 Å²	59	32%	0.321	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	42.1	172.4	-59.8	-77.5	0	0	0	115.8	D195 I670 D672	D195-N696 HydrophobicContact CB-CB 3.73Å; D195-N696 PolarHBondContact N-O 2.84Å; I670-N696 HydrophobicContact CB-CB 4.39Å; I670-N696 HydrophobicContact CG2-CB 4.06Å; I670-N696 WeakPolarHBondContact CG2-O 3.41Å; D672-N696 PolarHBondContact OD1-N 3.37Å
697	N	86.4	Confident	93.4	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.134	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-143.8	91.5	176.3	-173.7	-4.8	0	0	0	112.6	V671 P673 I694 D695 F699 N700 P701	V671-N697 PolarHBondContact O-N 3Å; P673-N697 WeakPolarHBondContact CD-O 3.42Å; P673-N697 WeakPolarHBondContact CG-O 3.36Å; I694-N697 HydrophobicContact CG2-CB 3.91Å; D695-N697 PolarHBondContact O-N 2.84Å; N697-F699 PolarHBondContact OD1-N 3.14Å; N697-N700 PolarHBondContact ND2-OD1 3.01Å; N697-N700 VanDerWaalsContact ND2-OD1 3.13Å; N697-N700 PolarHBondContact OD1-N 2.74Å; N697-N700 PolarHBondContact OD1-OD1 3.47Å; N697-P701 WeakPolarHBondContact O-CB 3.25Å; N697-P701 WeakPolarHBondContact O-CD 3.42Å; N697-P701 WeakPolarHBondContact O-CG 3.48Å
698	G	84.3	Confident	93.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-87.6	-17	170.7	0	0	0	0	0	114.8	N193 L659	N193-G698 WeakPolarHBondContact O-CA 3.48Å; N193-G698 PolarHBondContact O-N 3.29Å; L659-G698 WeakPolarHBondContact CA-O 3.37Å; L659-G698 WeakPolarHBondContact CB-O 3.48Å; L659-G698 WeakPolarHBondContact CG-O 3.4Å; L659-G698 PolarHBondContact N-O 2.94Å
699	F	83	Confident	93.4	Very high	9 Å²	9	47 Å²	47	4%	0.039	24%	0.244	C	C	.	.	S	Bend	trans	-81.4	-41.8	-172.3	-174.1	-104.1	0	0	0	114.2	W164 I192 N193 I194 L228 M229 Q657 Q658 N697	W164-F699 HydrophobicContact CH2-CD2 4.27Å; W164-F699 AromaticContact CH2-CE2 3.93Å; W164-F699 HydrophobicContact CH2-CE2 3.93Å; W164-F699 AromaticContact CZ3-CE2 3.74Å; W164-F699 HydrophobicContact CZ3-CE2 3.74Å; I192-F699 HydrophobicContact CB-CD2 4.39Å; I192-F699 WeakPolarHBondContact O-CD2 3.22Å; N193-F699 PolarHBondContact O-N 2.93Å; I194-F699 HydrophobicContact CD1-CB 3.23Å; I194-F699 HydrophobicContact CD1-CD1 3.36Å; I194-F699 HydrophobicContact CD1-CD2 4.25Å; I194-F699 HydrophobicContact CD1-CE1 4.25Å; I194-F699 HydrophobicContact CD1-CG 3.37Å; I194-F699 HydrophobicContact CG1-CB 3.11Å; I194-F699 HydrophobicContact CG1-CD1 4.28Å; I194-F699 HydrophobicContact CG1-CG 3.82Å; L228-F699 HydrophobicContact CD2-CD1 4.48Å; L228-F699 HydrophobicContact CD2-CE1 4Å; L228-F699 HydrophobicContact CD2-CZ 4.39Å; L228-F699 HydrophobicContact CG-CD1 4.32Å; L228-F699 HydrophobicContact CG-CE1 3.85Å; M229-F699 HydrophobicContact CG-CZ 4.38Å; Q657-F699 CarbonylContact C-O 3.59Å; Q657-F699 WeakPolarHBondContact CA-O 3.36Å; Q658-F699 HydrophobicContact CG-CD2 3.84Å; Q658-F699 HydrophobicContact CG-CE2 3.72Å; Q658-F699 HydrophobicContact CG-CZ 4.46Å; Q658-F699 PolarHBondContact N-O 3.42Å; N697-F699 PolarHBondContact OD1-N 3.14Å
700	N	85.5	Confident	93.3	Very high	33 Å²	33	49.5 Å²	49.5	18%	0.176	25%	0.253	C	S	.	.	S	Bend	trans	-151.1	47.9	-178.9	64.4	2.4	0	0	0	113.9	L228 A656 N697	L228-N700 PolarHBondContact O-ND2 3.3Å; A656-N700 CarbonylContact O-C 3.58Å; A656-N700 WeakPolarHBondContact O-CA 3.38Å; N697-N700 PolarHBondContact ND2-OD1 3.01Å; N697-N700 VanDerWaalsContact ND2-OD1 3.13Å; N697-N700 PolarHBondContact OD1-N 2.74Å; N697-N700 PolarHBondContact OD1-OD1 3.47Å
701	P	92.6	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.			trans	-60.5	146.5	-178.8	28.8	-37.3	0	0	0	111.6	S655 A656 L659 P673 I694 N697 W703	S655-P701 CarbonylContact C-O 3.56Å; S655-P701 WeakPolarHBondContact CA-O 3.25Å; S655-P701 WeakPolarHBondContact CB-O 3.18Å; A656-P701 HydrophobicContact CB-CG 3.75Å; A656-P701 PolarHBondContact N-O 3.49Å; L659-P701 HydrophobicContact CD1-CG 4.13Å; P673-P701 HydrophobicContact CG-CB 3.82Å; P673-P701 HydrophobicContact CG-CG 3.78Å; I694-P701 HydrophobicContact CB-CB 4.09Å; I694-P701 HydrophobicContact CG1-CB 4.1Å; I694-P701 HydrophobicContact CG2-CB 4.11Å; N697-P701 WeakPolarHBondContact O-CB 3.25Å; N697-P701 WeakPolarHBondContact O-CD 3.42Å; N697-P701 WeakPolarHBondContact O-CG 3.48Å; P701-W703 HydrophobicContact CB-CH2 3.7Å; P701-W703 HydrophobicContact CB-CZ2 3.89Å; P701-W703 HydrophobicContact CB-CZ3 4.13Å; P701-W703 HydrophobicContact CG-CH2 3.37Å; P701-W703 HydrophobicContact CG-CZ2 4.01Å; P701-W703 HydrophobicContact CG-CZ3 3.87Å
702	R	94.6	Very high	92.8	Very high	94 Å²	94	45.8 Å²	45.8	36%	0.355	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.8	176.6	-59.3	-162.2	179.8	100.6	25.4	110.8	R230 E233 I654 I694	R230-R702 PolarHBondContact O-NH2 2.95Å; E233-R702 IonicContact OE2-CZ 3.93Å; E233-R702 VanDerWaalsContact OE2-CZ 3.29Å; E233-R702 IonicContact OE2-NE 3.59Å; E233-R702 PolarHBondContact OE2-NE 2.71Å; E233-R702 IonicContact OE2-NH2 3.55Å; E233-R702 PolarHBondContact OE2-NH2 2.84Å; I654-R702 WeakPolarHBondContact O-CA 3.38Å; I694-R702 VanDerWaalsContact CD1-O 3.26Å; I694-R702 WeakPolarHBondContact CD1-O 3.48Å
703	W	96.2	Very high	92.7	Very high	28 Å²	28	41.9 Å²	41.9	11%	0.106	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-39.7	179.8	-64.6	-86.5	0	0	0	113	I653 I654 A656 P673 V675 T691 P692 I694 P701 C705	I653-W703 HydrophobicContact CG2-CD2 4.34Å; I653-W703 HydrophobicContact CG2-CE3 3.84Å; I653-W703 HydrophobicContact CG2-CZ3 4.4Å; I654-W703 PolarHBondContact O-N 2.79Å; A656-W703 HydrophobicContact CB-CH2 3.8Å; A656-W703 HydrophobicContact CB-CZ3 3.68Å; P673-W703 HydrophobicContact CB-CH2 4.25Å; P673-W703 HydrophobicContact CB-CZ2 3.88Å; P673-W703 HydrophobicContact CG-CH2 4.33Å; P673-W703 HydrophobicContact CG-CZ2 3.93Å; P673-W703 WeakPolarHBondContact O-CZ2 3.41Å; V675-W703 HydrophobicContact CG2-CD2 4.49Å; V675-W703 HydrophobicContact CG2-CE3 4.31Å; V675-W703 HydrophobicContact CG2-CH2 3.64Å; V675-W703 HydrophobicContact CG2-CZ2 3.87Å; V675-W703 HydrophobicContact CG2-CZ3 3.86Å; T691-W703 HydrophobicContact CG2-CB 4.36Å; T691-W703 HydrophobicContact CG2-CG 4.17Å; T691-W703 PolarHBondContact OG1-NE1 2.81Å; P692-W703 PolarHBondContact O-NE1 3.31Å; I694-W703 HydrophobicContact CG1-CD2 4.36Å; I694-W703 HydrophobicContact CG1-CG 4.36Å; I694-W703 HydrophobicContact CG1-CZ2 4.31Å; P701-W703 HydrophobicContact CB-CH2 3.7Å; P701-W703 HydrophobicContact CB-CZ2 3.89Å; P701-W703 HydrophobicContact CB-CZ3 4.13Å; P701-W703 HydrophobicContact CG-CH2 3.37Å; P701-W703 HydrophobicContact CG-CZ2 4.01Å; P701-W703 HydrophobicContact CG-CZ3 3.87Å; W703-C705 HydrophobicContact CB-CB 3.99Å; W703-C705 PolarHBondContact O-N 3.12Å; W703-C705 VanDerWaalsContact O-N 3.13Å
704	D	96.4	Very high	92.7	Very high	78 Å²	78	38.4 Å²	38.4	42%	0.417	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.5	35.8	-169.9	-82.3	-66.5	0	0	0	113.3	K652 I653 I654	K652-D704 WeakPolarHBondContact CE-OD1 3.24Å; K652-D704 IonicContact NZ-OD1 3.84Å; K652-D704 PolarHBondContact NZ-OD1 3.42Å; I653-D704 CarbonylContact O-C 3.51Å; I653-D704 WeakPolarHBondContact O-CA 3.37Å; I653-D704 PolarHBondContact O-N 2.95Å; I653-D704 VanDerWaalsContact O-N 3.13Å; I654-D704 PolarHBondContact O-N 3.12Å
705	C	97.9	Very high	92.9	Very high	29 Å²	29	40.3 Å²	40.3	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.4	-172.5	-179.2	0	0	0	0	111.3	K652 I653 T691 W703	K652-C705 CarbonylContact C-O 3.54Å; K652-C705 WeakPolarHBondContact CA-O 3.02Å; I653-C705 PolarHBondContact N-O 3.1Å; I653-C705 PolarHBondContact O-N 3.47Å; T691-C705 HydrophobicContact CG2-CB 3.96Å; W703-C705 HydrophobicContact CB-CB 3.99Å; W703-C705 PolarHBondContact O-N 3.12Å; W703-C705 VanDerWaalsContact O-N 3.13Å
706	T	98.4	Very high	93.2	Very high	77 Å²	77	35.9 Å²	35.9	47%	0.472	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.7	179.5	-59.3	0	0	0	0	111.1	T650	T650-T706 HydrophobicContact CG2-CG2 3.4Å; T650-T706 VanDerWaalsContact CG2-CG2 3.4Å
707	L	98.4	Very high	93.8	Very high	3 Å²	3	33 Å²	33	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.6	175	-51.2	-179.5	0	0	0	109.3	T650 I651 I653 V677 N689 F709	T650-L707 CarbonylContact C-O 3.53Å; T650-L707 WeakPolarHBondContact CA-O 3.43Å; I651-L707 PolarHBondContact N-O 3.43Å; I651-L707 PolarHBondContact O-N 2.93Å; I653-L707 HydrophobicContact CG1-CD1 4.09Å; I653-L707 HydrophobicContact CG1-CG 4.47Å; V677-L707 HydrophobicContact CB-CD1 4.02Å; V677-L707 HydrophobicContact CG2-CD1 3.79Å; N689-L707 HydrophobicContact CB-CB 4.48Å; N689-L707 HydrophobicContact CB-CD1 4.49Å; N689-L707 HydrophobicContact CB-CD2 4.21Å; L707-F709 HydrophobicContact CB-CE2 3.83Å; L707-F709 HydrophobicContact CB-CZ 4.14Å
708	S	97.6	Very high	94.4	Very high	61 Å²	61	31.9 Å²	31.9	43%	0.427	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.4	-177.2	-71.1	0	0	0	0	111.3	L649 T650	L649-S708 CarbonylContact O-C 3.55Å; L649-S708 WeakPolarHBondContact O-CA 3.46Å; T650-S708 PolarHBondContact OG1-OG 3.21Å
709	F	97.6	Very high	95.1	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.7	-177	-54.6	-85.7	0	0	0	110.5	Q648 L649 V677 I679 A687 N689 L707	Q648-F709 PolarHBondContact NE2-O 3.23Å; L649-F709 HydrophobicContact CB-CB 4.42Å; L649-F709 PolarHBondContact N-O 3.21Å; L649-F709 PolarHBondContact O-N 2.64Å; V677-F709 HydrophobicContact CB-CE2 4.06Å; V677-F709 HydrophobicContact CB-CZ 3.83Å; V677-F709 HydrophobicContact CG1-CE2 3.71Å; V677-F709 HydrophobicContact CG1-CZ 3.81Å; V677-F709 WeakPolarHBondContact O-CZ 3.48Å; I679-F709 HydrophobicContact CD1-CB 4.35Å; I679-F709 HydrophobicContact CD1-CD1 4.37Å; I679-F709 HydrophobicContact CD1-CD2 4.3Å; I679-F709 HydrophobicContact CD1-CG 4.09Å; I679-F709 HydrophobicContact CG1-CB 3.95Å; I679-F709 HydrophobicContact CG1-CD1 3.6Å; I679-F709 HydrophobicContact CG1-CD2 4.38Å; I679-F709 HydrophobicContact CG1-CE1 4.15Å; I679-F709 HydrophobicContact CG1-CG 3.71Å; A687-F709 HydrophobicContact CB-CD1 3.78Å; A687-F709 HydrophobicContact CB-CE1 4.29Å; N689-F709 HydrophobicContact CB-CE1 3.77Å; N689-F709 HydrophobicContact CB-CZ 3.7Å; L707-F709 HydrophobicContact CB-CE2 3.83Å; L707-F709 HydrophobicContact CB-CZ 4.14Å
710	Q	94.8	Very high	95.9	Very high	121 Å²	121	32 Å²	32	57%	0.565	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.1	173.6	-69.3	-176.8	-1	0	0	109.2
711	L	94.3	Very high	96.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.3	179.2	-51	177.9	0	0	0	109	P646 T647 L649 I679 D685 P714 A717 F742	P646-L711 CarbonylContact C-O 3.47Å; P646-L711 VanDerWaalsContact CA-O 3.26Å; P646-L711 WeakPolarHBondContact CA-O 3.32Å; T647-L711 PolarHBondContact N-O 3.44Å; T647-L711 PolarHBondContact O-N 3Å; L649-L711 HydrophobicContact CB-CD1 4.34Å; I679-L711 HydrophobicContact CB-CD2 4.48Å; I679-L711 HydrophobicContact CG1-CD2 4.33Å; I679-L711 HydrophobicContact CG2-CD2 3.48Å; I679-L711 VanDerWaalsContact CG2-CD2 3.48Å; D685-L711 HydrophobicContact CB-CD2 4.43Å; L711-P714 HydrophobicContact CB-CB 4.42Å; L711-P714 HydrophobicContact CD1-CB 4.29Å; L711-A717 HydrophobicContact CD1-CB 4.49Å; L711-A717 HydrophobicContact CD2-CB 4.49Å; L711-F742 HydrophobicContact CD1-CD1 4.46Å; L711-F742 HydrophobicContact CD1-CD2 3.48Å; L711-F742 VanDerWaalsContact CD1-CD2 3.48Å; L711-F742 HydrophobicContact CD1-CE2 3.59Å; L711-F742 HydrophobicContact CD1-CG 3.94Å; L711-F742 HydrophobicContact CD1-CZ 4.16Å
712	Q	92.3	Very high	96.8	Very high	34 Å²	34	30.6 Å²	30.6	16%	0.159	16%	0.156	C	C	.	.	S	Bend	trans	-99	-36.5	175.4	-53.9	-55.9	-39.9	0	0	110.8	H644 T645 I684 D685 P714	H644-Q712 CarbonylContact C-O 3.32Å; H644-Q712 WeakPolarHBondContact CA-O 3.48Å; H644-Q712 PolarHBondContact CE1-OE1 3.25Å; T645-Q712 PolarHBondContact N-O 3.01Å; I684-Q712 HydrophobicContact CD1-CG 4.06Å; I684-Q712 HydrophobicContact CG1-CG 4.09Å; I684-Q712 HydrophobicContact CG2-CB 3.85Å; I684-Q712 HydrophobicContact CG2-CG 3.69Å; D685-Q712 VanDerWaalsContact CG-N 3.34Å; D685-Q712 WeakPolarHBondContact OD1-CA 3.33Å; D685-Q712 VanDerWaalsContact OD1-CB 3.32Å; D685-Q712 WeakPolarHBondContact OD1-CB 3.5Å; D685-Q712 WeakPolarHBondContact OD1-CG 3.45Å; D685-Q712 PolarHBondContact OD1-N 3.33Å; D685-Q712 PolarHBondContact OD2-N 3.1Å; Q712-P714 VanDerWaalsContact C-CD 3.47Å; Q712-P714 WeakPolarHBondContact O-CD 3.45Å
713	V	94.1	Very high	96.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.139	C	C	.	.			trans	-126.9	68.5	-179.5	-167.9	0	0	0	0	109.9	F625 F633 T638 V682 D685 E715 L716	F625-V713 HydrophobicContact CE1-CG1 4.5Å; F625-V713 HydrophobicContact CE2-CG1 4.44Å; F625-V713 HydrophobicContact CZ-CG1 3.76Å; F633-V713 HydrophobicContact CE2-CG1 4.31Å; F633-V713 HydrophobicContact CE2-CG2 4.37Å; T638-V713 HydrophobicContact CG2-CG2 4Å; V682-V713 HydrophobicContact CG1-CB 4.37Å; V682-V713 HydrophobicContact CG1-CG2 4.44Å; V682-V713 HydrophobicContact CG2-CB 3.9Å; V682-V713 HydrophobicContact CG2-CG2 3.85Å; D685-V713 PolarHBondContact OD2-N 3.38Å; V713-E715 PolarHBondContact O-N 2.84Å; V713-E715 VanDerWaalsContact O-N 3.11Å; V713-L716 HydrophobicContact CG1-CB 4.32Å; V713-L716 HydrophobicContact CG1-CD1 4.05Å; V713-L716 HydrophobicContact CG1-CG 4.2Å; V713-L716 PolarHBondContact O-N 3.43Å; V713-L716 VanDerWaalsContact O-N 3.08Å
714	P	95.4	Very high	96.9	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.058	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-58	-29.1	-172.7	21.3	-33.8	0	0	0	114.5	T645 L711 Q712 L716 A717 F742	T645-P714 VanDerWaalsContact O-CD 3.31Å; T645-P714 WeakPolarHBondContact O-CD 3.12Å; T645-P714 WeakPolarHBondContact O-CG 3.03Å; L711-P714 HydrophobicContact CB-CB 4.42Å; L711-P714 HydrophobicContact CD1-CB 4.29Å; Q712-P714 VanDerWaalsContact C-CD 3.47Å; Q712-P714 WeakPolarHBondContact O-CD 3.45Å; P714-L716 PolarHBondContact O-N 3.39Å; P714-A717 PolarHBondContact O-N 3.2Å; P714-F742 HydrophobicContact CB-CD1 3.47Å; P714-F742 VanDerWaalsContact CB-CD1 3.47Å; P714-F742 HydrophobicContact CB-CE1 3.47Å; P714-F742 VanDerWaalsContact CB-CE1 3.47Å; P714-F742 HydrophobicContact CB-CG 4.3Å; P714-F742 HydrophobicContact CB-CZ 4.3Å
715	E	96.2	Very high	96.8	Very high	84 Å²	84	23.8 Å²	23.8	39%	0.393	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-63.9	-22.6	178.9	-71.1	-167.7	-103.5	0	0	113.8	P623 F625 V713 T743	P623-E715 HydrophobicContact CB-CB 4.29Å; P623-E715 HydrophobicContact CG-CB 4.01Å; F625-E715 HydrophobicContact CE1-CB 4.49Å; V713-E715 PolarHBondContact O-N 2.84Å; V713-E715 VanDerWaalsContact O-N 3.11Å; E715-T743 HydrophobicContact CG-CG2 4.35Å
716	L	96.9	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-96.7	-13.9	176.6	-72.3	178.1	0	0	0	113.6	F324 Q583 R610 P623 F625 M626 F633 V682 V713 P714	F324-L716 HydrophobicContact CZ-CD2 4.38Å; Q583-L716 PolarHBondContact NE2-O 3.24Å; R610-L716 PolarHBondContact NH1-O 2.92Å; R610-L716 PolarHBondContact NH2-O 2.83Å; P623-L716 HydrophobicContact CG-CD2 3.74Å; P623-L716 HydrophobicContact CG-CG 4.16Å; F625-L716 HydrophobicContact CE2-CD1 4.21Å; F625-L716 HydrophobicContact CZ-CD1 4.26Å; F625-L716 HydrophobicContact CZ-CG 4.29Å; M626-L716 HydrophobicContact SD-CD1 4.11Å; M626-L716 HydrophobicContact SD-CD2 3.77Å; M626-L716 HydrophobicContact SD-CG 4.44Å; F633-L716 HydrophobicContact CE1-CD1 4.15Å; F633-L716 HydrophobicContact CZ-CD1 3.73Å; V682-L716 HydrophobicContact CG1-CD1 3.89Å; V713-L716 HydrophobicContact CG1-CB 4.32Å; V713-L716 HydrophobicContact CG1-CD1 4.05Å; V713-L716 HydrophobicContact CG1-CG 4.2Å; V713-L716 PolarHBondContact O-N 3.43Å; V713-L716 VanDerWaalsContact O-N 3.08Å; P714-L716 PolarHBondContact O-N 3.39Å
717	A	98	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.			trans	-73.7	139.6	-174.3	0	0	0	0	0	113.2	I679 H680 L711 P714 F742	I679-A717 HydrophobicContact CG2-CB 4.3Å; H680-A717 CarbonylContact O-C 3.59Å; H680-A717 WeakPolarHBondContact O-CA 3.48Å; L711-A717 HydrophobicContact CD1-CB 4.49Å; L711-A717 HydrophobicContact CD2-CB 4.49Å; P714-A717 PolarHBondContact O-N 3.2Å; A717-F742 HydrophobicContact CB-CB 4.06Å; A717-F742 PolarHBondContact O-N 3.46Å
718	L	98.8	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.6	164	-58.6	175.3	0	0	0	108.4	W586 L606 R610 I679 H680 T739 L740 P741	W586-L718 HydrophobicContact CZ3-CD1 4.15Å; L606-L718 HydrophobicContact CB-CD1 4.16Å; L606-L718 HydrophobicContact CD2-CD1 4.01Å; R610-L718 HydrophobicContact CB-CD1 4.48Å; R610-L718 HydrophobicContact CB-CD2 4.45Å; R610-L718 VanDerWaalsContact CZ-CD2 3.4Å; R610-L718 VanDerWaalsContact NH2-CG 3.32Å; I679-L718 WeakPolarHBondContact CA-O 3.36Å; H680-L718 HydrophobicContact CB-CB 4.28Å; H680-L718 PolarHBondContact N-O 3.15Å; H680-L718 PolarHBondContact O-N 3.33Å; L718-T739 HydrophobicContact CB-CG2 4.05Å; L718-T739 HydrophobicContact CD1-CG2 4.36Å; L718-L740 WeakPolarHBondContact CA-O 3.34Å; L718-P741 HydrophobicContact CD2-CB 3.93Å; L718-P741 HydrophobicContact CD2-CG 3.76Å
719	V	98.8	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.6	172.1	-174	0	0	0	0	107.5	L649 I651 V677 I679 F721 T739 L740 F742 L745	L649-V719 HydrophobicContact CD2-CG2 3.94Å; I651-V719 HydrophobicContact CD1-CG1 4.11Å; V677-V719 HydrophobicContact CG1-CG1 4.03Å; I679-V719 HydrophobicContact CD1-CB 4.45Å; I679-V719 HydrophobicContact CD1-CG1 4.22Å; I679-V719 HydrophobicContact CD1-CG2 3.97Å; V719-F721 HydrophobicContact CG1-CD2 4.49Å; V719-F721 HydrophobicContact CG1-CE2 3.78Å; V719-F721 HydrophobicContact CG1-CZ 3.93Å; V719-T739 WeakPolarHBondContact O-CA 3.28Å; V719-L740 HydrophobicContact CB-CD2 4.37Å; V719-L740 PolarHBondContact N-O 3.03Å; V719-L740 PolarHBondContact O-N 2.67Å; V719-F742 HydrophobicContact CG2-CB 4.32Å; V719-F742 HydrophobicContact CG2-CD2 4.43Å; V719-L745 HydrophobicContact CG2-CD2 4.34Å
720	R	98.8	Very high	93.1	Very high	13 Å²	13	34.3 Å²	34.3	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.5	-179.1	174.2	169.8	-177.3	-115.9	3.9	110.1	E602 D605 V677 E678 V722 T739	E602-R720 IonicContact OE2-CZ 3.45Å; E602-R720 IonicContact OE2-NH1 3.65Å; E602-R720 PolarHBondContact OE2-NH1 3.24Å; D605-R720 IonicContact OD2-NE 3.55Å; D605-R720 PolarHBondContact OD2-NE 3.22Å; V677-R720 WeakPolarHBondContact CA-O 3.23Å; E678-R720 HydrophobicContact CB-CB 4.27Å; E678-R720 PolarHBondContact N-O 3.13Å; E678-R720 PolarHBondContact O-N 3.48Å; E678-R720 IonicContact OE1-NH1 3.62Å; E678-R720 IonicContact OE2-CZ 4Å; E678-R720 IonicContact OE2-NH1 2.71Å; E678-R720 PolarHBondContact OE2-NH1 2.99Å; R720-V722 HydrophobicContact CG-CG2 3.91Å; R720-T739 HydrophobicContact CB-CG2 4.29Å; R720-T739 VanDerWaalsContact CB-OG1 3.32Å; R720-T739 WeakPolarHBondContact CB-OG1 3.49Å; R720-T739 WeakPolarHBondContact CD-OG1 3.34Å; R720-T739 WeakPolarHBondContact CG-OG1 3.3Å
721	F	98.8	Very high	92.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.8	173.3	-59.8	-93.7	0	0	0	108.4	I651 I653 V677 V719 Q737 F738 L740 V752 L767 I769	I651-F721 HydrophobicContact CD1-CE1 4.27Å; I651-F721 HydrophobicContact CD1-CZ 4.14Å; I651-F721 HydrophobicContact CG2-CE1 4.22Å; I653-F721 HydrophobicContact CD1-CE1 4.49Å; V677-F721 HydrophobicContact CG2-CD1 3.81Å; V677-F721 HydrophobicContact CG2-CE1 4Å; V719-F721 HydrophobicContact CG1-CD2 4.49Å; V719-F721 HydrophobicContact CG1-CE2 3.78Å; V719-F721 HydrophobicContact CG1-CZ 3.93Å; F721-Q737 CarbonylContact O-C 3.48Å; F721-Q737 WeakPolarHBondContact O-CA 3.38Å; F721-F738 HydrophobicContact CD2-CD1 4.46Å; F721-F738 PolarHBondContact N-O 2.81Å; F721-F738 PolarHBondContact O-N 3.17Å; F721-L740 HydrophobicContact CD2-CD2 4.4Å; F721-L740 HydrophobicContact CE2-CD2 3.88Å; F721-V752 HydrophobicContact CB-CG1 4.36Å; F721-V752 HydrophobicContact CD1-CG2 4.37Å; F721-V752 HydrophobicContact CD2-CG1 4.01Å; F721-V752 HydrophobicContact CD2-CG2 4.47Å; F721-V752 HydrophobicContact CE1-CG2 4.26Å; F721-V752 HydrophobicContact CE2-CG2 4.37Å; F721-V752 HydrophobicContact CG-CG1 4.15Å; F721-V752 HydrophobicContact CG-CG2 4.48Å; F721-V752 HydrophobicContact CZ-CG2 4.26Å; F721-L767 HydrophobicContact CB-CD1 4.22Å; F721-L767 HydrophobicContact CD1-CD1 4.21Å; F721-I769 HydrophobicContact CE1-CD1 3.86Å; F721-I769 HydrophobicContact CZ-CD1 3.82Å
722	V	98.4	Very high	92.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.9	174.8	-170.7	0	0	0	0	108.4	V675 V676 R720 E724 F734 G736	V675-V722 WeakPolarHBondContact CA-O 3.3Å; V676-V722 HydrophobicContact CB-CB 4.29Å; V676-V722 PolarHBondContact N-O 2.76Å; V676-V722 PolarHBondContact O-N 3.43Å; R720-V722 HydrophobicContact CG-CG2 3.91Å; V722-E724 HydrophobicContact CG1-CG 3.91Å; V722-F734 HydrophobicContact CG1-CD2 4.19Å; V722-F734 HydrophobicContact CG1-CE2 4.18Å; V722-G736 WeakPolarHBondContact CA-O 3.43Å
723	V	97.7	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.6	169.2	-171.7	0	0	0	0	107.4	L659 P673 Q674 V675 V735 G736 L754 L767	L659-V723 HydrophobicContact CD1-CG1 3.77Å; L659-V723 HydrophobicContact CD2-CG1 4.06Å; L659-V723 HydrophobicContact CD2-CG2 4.43Å; P673-V723 HydrophobicContact CB-CG1 4.22Å; Q674-V723 WeakPolarHBondContact O-CA 3.47Å; V675-V723 HydrophobicContact CG2-CG2 4.39Å; V723-V735 HydrophobicContact CB-CB 4.08Å; V723-V735 HydrophobicContact CB-CG1 4.39Å; V723-V735 HydrophobicContact CG1-CB 3.98Å; V723-V735 HydrophobicContact CG1-CG1 4.12Å; V723-V735 HydrophobicContact CG1-CG2 4.39Å; V723-V735 WeakPolarHBondContact O-CA 3.35Å; V723-V735 VanDerWaalsContact O-CB 3.31Å; V723-V735 WeakPolarHBondContact O-CB 3.36Å; V723-V735 PolarHBondContact O-N 2.91Å; V723-G736 PolarHBondContact N-O 2.77Å; V723-G736 PolarHBondContact O-N 2.82Å; V723-L754 HydrophobicContact CG2-CD1 3.67Å; V723-L754 HydrophobicContact CG2-CD2 4.07Å; V723-L767 HydrophobicContact CG2-CD1 4.21Å; V723-L767 HydrophobicContact CG2-CD2 3.85Å; V723-L767 HydrophobicContact CG2-CG 4.34Å
724	E	95.4	Very high	92.2	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.3	179.2	-58.1	-178.3	154.6	0	0	109.6	P673 Q674 V722 N732 D733	P673-E724 CarbonylContact C-O 3.52Å; P673-E724 WeakPolarHBondContact CA-O 3.39Å; Q674-E724 PolarHBondContact N-O 3.45Å; Q674-E724 PolarHBondContact O-N 3.29Å; V722-E724 HydrophobicContact CG1-CG 3.91Å; E724-N732 HydrophobicContact CB-CB 3.91Å; E724-N732 PolarHBondContact OE2-ND2 3.39Å; E724-D733 CarbonylContact C-O 3.58Å; E724-D733 VanDerWaalsContact CA-O 3.24Å; E724-D733 WeakPolarHBondContact CA-O 3.16Å
725	D	93.5	Very high	92.1	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.1	169.2	-176.1	11.1	0	0	0	108.3	I662 V671 D672 D727 N732 D733 V735	I662-D725 HydrophobicContact CD1-CB 3.41Å; I662-D725 VanDerWaalsContact CD1-CB 3.41Å; I662-D725 HydrophobicContact CG1-CB 4.46Å; V671-D725 WeakPolarHBondContact CA-OD1 3.44Å; V671-D725 HydrophobicContact CB-CB 4.23Å; V671-D725 HydrophobicContact CG1-CB 4.32Å; D672-D725 PolarHBondContact N-OD1 3.07Å; D725-D727 PolarHBondContact O-N 3.16Å; D725-N732 CarbonylContact O-C 3.56Å; D725-N732 VanDerWaalsContact O-CA 3.22Å; D725-N732 WeakPolarHBondContact O-CA 3.35Å; D725-N732 VanDerWaalsContact O-CB 3.32Å; D725-N732 WeakPolarHBondContact O-CB 3.31Å; D725-D733 HydrophobicContact CB-CB 4.29Å; D725-D733 PolarHBondContact N-O 2.88Å; D725-D733 PolarHBondContact O-N 3.13Å; D725-V735 HydrophobicContact CB-CG2 3.9Å
726	H	90.1	Very high	92	Very high	37 Å²	37	40.3 Å²	40.3	17%	0.171	22%	0.218	C	C	.	.			trans	-75.5	122.4	-174.2	-178.4	62.9	0	0	0	111.7	D672 R693 N732	D672-H726 HydrophobicContact CB-CB 4.06Å; D672-H726 WeakPolarHBondContact O-CB 3.47Å; D672-H726 PolarHBondContact O-N 3.14Å; R693-H726 HydrophobicContact CB-CB 4.14Å; R693-H726 WeakPolarHBondContact CD-CD2 3.48Å; R693-H726 PolarHBondContact NH1-CD2 2.64Å; R693-H726 PolarHBondContact NH1-NE2 3.1Å; H726-N732 WeakPolarHBondContact CA-OD1 3.37Å; H726-N732 PolarHBondContact ND1-OD1 2.82Å
727	D	84.4	Confident	92.1	Very high	60 Å²	60	40.4 Å²	40.4	32%	0.321	22%	0.219	S	C	.	.			trans	-108.3	130.2	171.2	-165.6	-38.5	0	0	0	109.9	D725 A729 A730 N732	D725-D727 PolarHBondContact O-N 3.16Å; D727-A729 PolarHBondContact OD1-N 2.8Å; D727-A730 HydrophobicContact CB-CB 4.24Å; D727-A730 PolarHBondContact OD1-N 3.02Å; D727-N732 PolarHBondContact N-OD1 2.81Å
728	H	78.2	Confident	92.1	Very high	138 Å²	138	41.2 Å²	41.2	64%	0.639	22%	0.222	S	C	*	.	S	Bend	trans	-74.2	-27.3	177.6	-85.9	-80	0	0	0	114	R693	R693-H728 PolarHBondContact NH1-CE1 2.85Å; R693-H728 PolarHBondContact NH1-NE2 2.99Å; R693-H728 PolarHBondContact NH2-CE1 3.22Å; R693-H728 PolarHBondContact NH2-NE2 3.4Å
729	A	78	Confident	92.1	Very high	102 Å²	102	41.4 Å²	41.4	84%	0.843	22%	0.223	S	C	*	.	S	Bend	trans	-110.3	-17	-172.8	0	0	0	0	0	112.9	D727	D727-A729 PolarHBondContact OD1-N 2.8Å
730	A	82.8	Confident	92.1	Very high	61 Å²	61	41.4 Å²	41.4	50%	0.504	22%	0.223	S	C	.	.	S	Bend	trans	-131.6	-174.3	-178.2	0	0	0	0	0	112.7	D727	D727-A730 HydrophobicContact CB-CB 4.24Å; D727-A730 PolarHBondContact OD1-N 3.02Å
731	K	84.4	Confident	92.1	Very high	183 Å²	183	41 Å²	41	80%	0.796	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-70.8	139.1	169.6	-176.9	-177	175.5	-175.3	0	108.4	D733	K731-D733 PolarHBondContact O-N 3.4Å
732	N	88.4	Confident	92.1	Very high	30 Å²	30	42.2 Å²	42.2	16%	0.16	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-51.6	138.1	173.5	-64.7	-6.5	0	0	0	111.6	E724 D725 H726 D727	E724-N732 HydrophobicContact CB-CB 3.91Å; E724-N732 PolarHBondContact OE2-ND2 3.39Å; D725-N732 CarbonylContact O-C 3.56Å; D725-N732 VanDerWaalsContact O-CA 3.22Å; D725-N732 WeakPolarHBondContact O-CA 3.35Å; D725-N732 VanDerWaalsContact O-CB 3.32Å; D725-N732 WeakPolarHBondContact O-CB 3.31Å; H726-N732 WeakPolarHBondContact CA-OD1 3.37Å; H726-N732 PolarHBondContact ND1-OD1 2.82Å; D727-N732 PolarHBondContact N-OD1 2.81Å
733	D	90.4	Very high	92	Very high	81 Å²	81	45.2 Å²	45.2	43%	0.433	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.4	176.5	-76.4	-40.8	0	0	0	111.1	I662 E724 D725 K731	I662-D733 HydrophobicContact CD1-CB 3.39Å; I662-D733 HydrophobicContact CG2-CB 4.4Å; E724-D733 CarbonylContact C-O 3.58Å; E724-D733 VanDerWaalsContact CA-O 3.24Å; E724-D733 WeakPolarHBondContact CA-O 3.16Å; D725-D733 HydrophobicContact CB-CB 4.29Å; D725-D733 PolarHBondContact N-O 2.88Å; D725-D733 PolarHBondContact O-N 3.13Å; K731-D733 PolarHBondContact O-N 3.4Å
734	F	92.8	Very high	92	Very high	73 Å²	73	45.3 Å²	45.3	32%	0.32	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.3	-179.7	175.3	-88.3	0	0	0	111.5	V722 G736 Q737 A757	V722-F734 HydrophobicContact CG1-CD2 4.19Å; V722-F734 HydrophobicContact CG1-CE2 4.18Å; F734-G736 VanDerWaalsContact CZ-C 3.42Å; F734-Q737 HydrophobicContact CE2-CB 3.79Å; F734-Q737 HydrophobicContact CE2-CG 4.14Å; F734-Q737 VanDerWaalsContact CE2-OE1 3.25Å; F734-Q737 HydrophobicContact CZ-CB 3.79Å; F734-Q737 HydrophobicContact CZ-CG 3.76Å; F734-A757 HydrophobicContact CD1-CB 4.23Å; F734-A757 HydrophobicContact CE1-CB 3.85Å; F734-A757 HydrophobicContact CZ-CB 4.23Å
735	V	92.7	Very high	92.1	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-51.7	175.1	178.5	0	0	0	0	111.4	L659 P660 I662 V723 D725 L762	L659-V735 HydrophobicContact CB-CG1 4.03Å; L659-V735 HydrophobicContact CD2-CG1 4.28Å; P660-V735 HydrophobicContact CG-CG1 3.94Å; I662-V735 HydrophobicContact CD1-CG2 3.78Å; I662-V735 HydrophobicContact CG1-CG2 4.23Å; V723-V735 HydrophobicContact CB-CB 4.08Å; V723-V735 HydrophobicContact CB-CG1 4.39Å; V723-V735 HydrophobicContact CG1-CB 3.98Å; V723-V735 HydrophobicContact CG1-CG1 4.12Å; V723-V735 HydrophobicContact CG1-CG2 4.39Å; V723-V735 WeakPolarHBondContact O-CA 3.35Å; V723-V735 VanDerWaalsContact O-CB 3.31Å; V723-V735 WeakPolarHBondContact O-CB 3.36Å; V723-V735 PolarHBondContact O-N 2.91Å; D725-V735 HydrophobicContact CB-CG2 3.9Å; V735-L762 VanDerWaalsContact O-CD1 3.3Å; V735-L762 WeakPolarHBondContact O-CD1 3.34Å
736	G	95.3	Very high	92.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	162.9	-175.9	0	0	0	0	0	113.2	V722 V723 F734 L755	V722-G736 WeakPolarHBondContact CA-O 3.43Å; V723-G736 PolarHBondContact N-O 2.77Å; V723-G736 PolarHBondContact O-N 2.82Å; F734-G736 VanDerWaalsContact CZ-C 3.42Å; G736-L755 CarbonylContact C-O 3.56Å; G736-L755 VanDerWaalsContact CA-O 3.31Å; G736-L755 WeakPolarHBondContact CA-O 3.44Å
737	Q	97.8	Very high	92.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.3	-178.7	68.5	-167.3	23.9	0	0	113.1	D605 F721 F734 L755	D605-Q737 WeakPolarHBondContact OD1-CG 3.45Å; D605-Q737 PolarHBondContact OD1-NE2 2.82Å; F721-Q737 CarbonylContact O-C 3.48Å; F721-Q737 WeakPolarHBondContact O-CA 3.38Å; F734-Q737 HydrophobicContact CE2-CB 3.79Å; F734-Q737 HydrophobicContact CE2-CG 4.14Å; F734-Q737 VanDerWaalsContact CE2-OE1 3.25Å; F734-Q737 HydrophobicContact CZ-CB 3.79Å; F734-Q737 HydrophobicContact CZ-CG 3.76Å; Q737-L755 PolarHBondContact N-O 2.59Å; Q737-L755 WeakPolarHBondContact O-CA 3.39Å; Q737-L755 WeakPolarHBondContact O-CB 3.26Å; Q737-L755 PolarHBondContact O-N 3.31Å
738	F	98.4	Very high	93.2	Very high	18 Å²	18	41 Å²	41	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	131.6	165	-175.4	-103.8	0	0	0	110	V304 F305 L612 F721 L740 V752 L755	V304-F738 HydrophobicContact CG1-CD1 4.25Å; V304-F738 HydrophobicContact CG1-CE1 3.73Å; F305-F738 HydrophobicContact CB-CZ 4.26Å; L612-F738 HydrophobicContact CD2-CE2 4.2Å; L612-F738 HydrophobicContact CD2-CZ 3.83Å; F721-F738 HydrophobicContact CD2-CD1 4.46Å; F721-F738 PolarHBondContact N-O 2.81Å; F721-F738 PolarHBondContact O-N 3.17Å; F738-L740 HydrophobicContact CD1-CD2 4.04Å; F738-L740 HydrophobicContact CE1-CB 4.09Å; F738-L740 HydrophobicContact CE1-CD1 4.16Å; F738-L740 HydrophobicContact CE1-CD2 3.85Å; F738-L740 HydrophobicContact CE1-CG 4.25Å; F738-V752 HydrophobicContact CB-CG1 3.65Å; F738-V752 HydrophobicContact CD1-CG1 3.56Å; F738-V752 HydrophobicContact CE1-CG1 4.43Å; F738-V752 HydrophobicContact CG-CG1 3.81Å; F738-L755 HydrophobicContact CD2-CD1 4.03Å; F738-L755 HydrophobicContact CD2-CG 4.19Å
739	T	98.8	Very high	94.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.8	176.2	-64	0	0	0	0	111.1	D605 L606 G609 L718 V719 R720	D605-T739 PolarHBondContact OD2-OG1 2.95Å; L606-T739 HydrophobicContact CD2-CG2 4.01Å; G609-T739 WeakPolarHBondContact CA-O 3.31Å; L718-T739 HydrophobicContact CB-CG2 4.05Å; L718-T739 HydrophobicContact CD1-CG2 4.36Å; V719-T739 WeakPolarHBondContact O-CA 3.28Å; R720-T739 HydrophobicContact CB-CG2 4.29Å; R720-T739 VanDerWaalsContact CB-OG1 3.32Å; R720-T739 WeakPolarHBondContact CB-OG1 3.49Å; R720-T739 WeakPolarHBondContact CD-OG1 3.34Å; R720-T739 WeakPolarHBondContact CG-OG1 3.3Å
740	L	98.6	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.5	170.7	73.3	171.6	0	0	0	112	V304 F305 L612 L718 V719 F721 F738 L745	V304-L740 HydrophobicContact CG1-CD1 4.49Å; F305-L740 HydrophobicContact CB-CD1 4.09Å; F305-L740 HydrophobicContact CD2-CD1 4.33Å; L612-L740 HydrophobicContact CD2-CB 4.4Å; L718-L740 WeakPolarHBondContact CA-O 3.34Å; V719-L740 HydrophobicContact CB-CD2 4.37Å; V719-L740 PolarHBondContact N-O 3.03Å; V719-L740 PolarHBondContact O-N 2.67Å; F721-L740 HydrophobicContact CD2-CD2 4.4Å; F721-L740 HydrophobicContact CE2-CD2 3.88Å; F738-L740 HydrophobicContact CD1-CD2 4.04Å; F738-L740 HydrophobicContact CE1-CB 4.09Å; F738-L740 HydrophobicContact CE1-CD1 4.16Å; F738-L740 HydrophobicContact CE1-CD2 3.85Å; F738-L740 HydrophobicContact CE1-CG 4.25Å; L740-L745 HydrophobicContact CD1-CB 4.39Å; L740-L745 HydrophobicContact CD1-CD1 4.05Å; L740-L745 HydrophobicContact CD2-CD1 4.18Å; L740-L745 HydrophobicContact CG-CD1 4.43Å
741	P	98.6	Very high	95.7	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.3	173.2	-20.8	36.6	0	0	0	111.3	G609 P613 L718 T743 S744 L745	G609-P741 WeakPolarHBondContact O-CD 3.35Å; P613-P741 HydrophobicContact CG-CG 3.75Å; L718-P741 HydrophobicContact CD2-CB 3.93Å; L718-P741 HydrophobicContact CD2-CG 3.76Å; P741-T743 PolarHBondContact O-N 3.33Å; P741-S744 WeakPolarHBondContact O-CA 3.32Å; P741-S744 PolarHBondContact O-N 3.19Å; P741-L745 PolarHBondContact O-N 3.44Å
742	F	98.4	Very high	96.3	Very high	26 Å²	26	20.8 Å²	20.8	11%	0.114	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-53.7	-38.8	175.9	172.1	-93	0	0	0	111.9	T647 L649 L711 P714 A717 V719 S744 L745 V773	T647-F742 HydrophobicContact CG2-CE1 4.42Å; T647-F742 HydrophobicContact CG2-CE2 4.44Å; T647-F742 HydrophobicContact CG2-CZ 3.72Å; L649-F742 HydrophobicContact CB-CE2 4.32Å; L649-F742 HydrophobicContact CD1-CE2 4.26Å; L649-F742 HydrophobicContact CD2-CD2 4.22Å; L649-F742 HydrophobicContact CD2-CE2 4.35Å; L711-F742 HydrophobicContact CD1-CD1 4.46Å; L711-F742 HydrophobicContact CD1-CD2 3.48Å; L711-F742 VanDerWaalsContact CD1-CD2 3.48Å; L711-F742 HydrophobicContact CD1-CE2 3.59Å; L711-F742 HydrophobicContact CD1-CG 3.94Å; L711-F742 HydrophobicContact CD1-CZ 4.16Å; P714-F742 HydrophobicContact CB-CD1 3.47Å; P714-F742 VanDerWaalsContact CB-CD1 3.47Å; P714-F742 HydrophobicContact CB-CE1 3.47Å; P714-F742 VanDerWaalsContact CB-CE1 3.47Å; P714-F742 HydrophobicContact CB-CG 4.3Å; P714-F742 HydrophobicContact CB-CZ 4.3Å; A717-F742 HydrophobicContact CB-CB 4.06Å; A717-F742 PolarHBondContact O-N 3.46Å; V719-F742 HydrophobicContact CG2-CB 4.32Å; V719-F742 HydrophobicContact CG2-CD2 4.43Å; F742-S744 PolarHBondContact O-N 3.04Å; F742-S744 VanDerWaalsContact O-N 3.14Å; F742-L745 HydrophobicContact CD2-CD2 4.44Å; F742-L745 VanDerWaalsContact O-CB 3.25Å; F742-L745 WeakPolarHBondContact O-CB 3.47Å; F742-L745 PolarHBondContact O-N 2.86Å; F742-V773 HydrophobicContact CE2-CG1 4.42Å; F742-V773 HydrophobicContact CE2-CG2 4.08Å; F742-V773 HydrophobicContact CZ-CG1 3.79Å; F742-V773 HydrophobicContact CZ-CG2 4.16Å
743	T	97.1	Very high	96.5	Very high	67 Å²	67	20.6 Å²	20.6	41%	0.411	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-65.3	-14.5	177.8	55.3	0	0	0	0	114.1	H309 E715 P741	H309-T743 PolarHBondContact CE1-O 3.48Å; H309-T743 VanDerWaalsContact CE1-O 3.29Å; E715-T743 HydrophobicContact CG-CG2 4.35Å; P741-T743 PolarHBondContact O-N 3.33Å
744	S	97.9	Very high	96.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-107.7	3.9	175.9	-57.1	0	0	0	0	113.2	N306 H309 P613 P741 F742	N306-S744 PolarHBondContact N-O 2.97Å; H309-S744 WeakPolarHBondContact ND1-CB 3.28Å; H309-S744 PolarHBondContact ND1-OG 3.48Å; P613-S744 WeakPolarHBondContact CG-OG 3.24Å; P741-S744 WeakPolarHBondContact O-CA 3.32Å; P741-S744 PolarHBondContact O-N 3.19Å; F742-S744 PolarHBondContact O-N 3.04Å; F742-S744 VanDerWaalsContact O-N 3.14Å
745	L	97.6	Very high	96.6	Very high	20 Å²	20	15 Å²	15	11%	0.105	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-81.2	126.7	177.3	-175.6	73	0	0	0	110.5	V304 L649 V719 L740 P741 F742 V771	V304-L745 HydrophobicContact CG2-CD1 3.38Å; L649-L745 HydrophobicContact CD1-CD2 3.71Å; L649-L745 HydrophobicContact CD2-CD2 4.35Å; V719-L745 HydrophobicContact CG2-CD2 4.34Å; L740-L745 HydrophobicContact CD1-CB 4.39Å; L740-L745 HydrophobicContact CD1-CD1 4.05Å; L740-L745 HydrophobicContact CD2-CD1 4.18Å; L740-L745 HydrophobicContact CG-CD1 4.43Å; P741-L745 PolarHBondContact O-N 3.44Å; F742-L745 HydrophobicContact CD2-CD2 4.44Å; F742-L745 VanDerWaalsContact O-CB 3.25Å; F742-L745 WeakPolarHBondContact O-CB 3.47Å; F742-L745 PolarHBondContact O-N 2.86Å; L745-V771 HydrophobicContact CD2-CG1 3.75Å; L745-V771 HydrophobicContact CG-CG1 4.11Å
746	R	96.7	Very high	96.4	Very high	19 Å²	19	18.6 Å²	18.6	7%	0.072	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-88.8	147.4	174.7	-73.2	172.7	62.6	-163.8	26.2	112.4	E262 E301 D303 V304 N306 R750 V771	E262-R746 IonicContact OE1-CZ 3.2Å; E262-R746 VanDerWaalsContact OE1-CZ 3.26Å; E262-R746 IonicContact OE1-NE 2.79Å; E262-R746 PolarHBondContact OE1-NE 3.48Å; E262-R746 IonicContact OE1-NH2 3.04Å; E262-R746 PolarHBondContact OE1-NH2 3.23Å; E262-R746 IonicContact OE2-CZ 3.04Å; E262-R746 IonicContact OE2-NE 2.81Å; E262-R746 IonicContact OE2-NH2 2.68Å; E262-R746 PolarHBondContact OE2-NH2 2.73Å; E301-R746 PolarHBondContact O-NH1 2.8Å; E301-R746 PolarHBondContact O-NH2 3.11Å; D303-R746 PolarHBondContact O-NH1 2.85Å; D303-R746 VanDerWaalsContact O-NH1 3.08Å; V304-R746 PolarHBondContact O-N 2.74Å; N306-R746 HydrophobicContact CB-CG 4.02Å; R746-R750 HydrophobicContact CB-CG 4.49Å; R746-V771 WeakPolarHBondContact O-CB 3.37Å
747	T	96.6	Very high	96.1	Very high	24 Å²	24	20.4 Å²	20.4	15%	0.147	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-80.6	168.5	171.6	52.2	0	0	0	0	112	Q260 R750 V771 V773	Q260-T747 PolarHBondContact O-OG1 2.74Å; T747-R750 PolarHBondContact O-NE 3.23Å; T747-R750 PolarHBondContact O-NH2 3.33Å; T747-V771 CarbonylContact C-O 3.49Å; T747-V771 WeakPolarHBondContact CA-O 3.47Å; T747-V773 HydrophobicContact CG2-CB 4.1Å; T747-V773 HydrophobicContact CG2-CG2 3.96Å
748	G	97.4	Very high	95.4	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-166.8	177.9	0	0	0	0	0	113.5	R750 H770 V771	G748-R750 PolarHBondContact O-N 3.26Å; G748-H770 WeakPolarHBondContact O-CA 3.29Å; G748-V771 PolarHBondContact N-O 3.3Å; G748-V771 PolarHBondContact O-N 2.64Å
749	Y	98.1	Very high	94.8	Very high	58 Å²	58	21.9 Å²	21.9	23%	0.227	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.6	177.3	-68.7	-75.4	0	0	0	111.2	V237 F256 Q260 M297 N302 I654 F768 I769 H770	V237-Y749 HydrophobicContact CG1-CD2 3.99Å; V237-Y749 HydrophobicContact CG1-CE2 3.95Å; V237-Y749 HydrophobicContact CG2-CD1 4.13Å; V237-Y749 HydrophobicContact CG2-CD2 4.32Å; V237-Y749 HydrophobicContact CG2-CE1 3.71Å; V237-Y749 HydrophobicContact CG2-CE2 3.95Å; V237-Y749 HydrophobicContact CG2-CG 4.42Å; F256-Y749 HydrophobicContact CE2-CD2 4.19Å; Q260-Y749 VanDerWaalsContact OE1-CD2 3.28Å; M297-Y749 VanDerWaalsContact CE-CB 3.46Å; M297-Y749 WeakPolarHBondContact CE-O 3.46Å; N302-Y749 PolarHBondContact ND2-O 3.19Å; I654-Y749 HydrophobicContact CD1-CD1 3.81Å; I654-Y749 HydrophobicContact CD1-CE1 3.73Å; Y749-F768 HydrophobicContact CD1-CE1 4.17Å; Y749-F768 HydrophobicContact CD1-CE2 4.15Å; Y749-F768 AromaticContact CD1-CZ 3.51Å; Y749-F768 HydrophobicContact CD1-CZ 3.51Å; Y749-F768 HydrophobicContact CE1-CZ 4.38Å; Y749-F768 HydrophobicContact CG-CE2 4.44Å; Y749-F768 HydrophobicContact CG-CZ 4.04Å; Y749-I769 CarbonylContact C-O 3.58Å; Y749-I769 WeakPolarHBondContact CA-O 3.42Å; Y749-H770 HydrophobicContact CD1-CB 3.83Å; Y749-H770 AromaticContact CD1-CD2 3.81Å; Y749-H770 AromaticContact CD2-CD2 3.8Å; Y749-H770 HydrophobicContact CE1-CB 3.87Å; Y749-H770 AromaticContact CE1-CD2 3.75Å; Y749-H770 AromaticContact CE2-CD2 3.72Å; Y749-H770 AromaticContact CG-CD2 3.83Å; Y749-H770 AromaticContact CZ-CD2 3.7Å
750	R	97.5	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.9	-173.3	-60.8	-65.8	172	-114.2	9.7	111.6	E262 N302 V304 R746 T747 G748 F768 I769	E262-R750 IonicContact OE1-CZ 3.74Å; E262-R750 IonicContact OE1-NH2 2.64Å; E262-R750 PolarHBondContact OE1-NH2 3.43Å; N302-R750 WeakPolarHBondContact O-CD 3.33Å; N302-R750 PolarHBondContact OD1-NH1 2.94Å; V304-R750 HydrophobicContact CB-CB 3.96Å; V304-R750 HydrophobicContact CG2-CB 4.32Å; R746-R750 HydrophobicContact CB-CG 4.49Å; T747-R750 PolarHBondContact O-NE 3.23Å; T747-R750 PolarHBondContact O-NH2 3.33Å; G748-R750 PolarHBondContact O-N 3.26Å; R750-F768 WeakPolarHBondContact O-CD2 3.36Å; R750-I769 HydrophobicContact CB-CG1 4.24Å; R750-I769 PolarHBondContact N-O 2.93Å; R750-I769 PolarHBondContact O-N 2.93Å
751	H	95.8	Very high	93.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.7	165.8	-86.5	-97.7	0	0	0	110.4	R231 M297 L298 V304 Q657 S766 L767 F768	R231-H751 PolarHBondContact NH1-CE1 3.33Å; R231-H751 PolarHBondContact NH1-NE2 2.84Å; R231-H751 PolarHBondContact NH2-CE1 3.4Å; R231-H751 VanDerWaalsContact NH2-CE1 3.26Å; R231-H751 PolarHBondContact NH2-NE2 3.41Å; M297-H751 PolarHBondContact O-CD2 3.42Å; L298-H751 WeakPolarHBondContact CD2-CE1 3.32Å; V304-H751 WeakPolarHBondContact CB-O 3.43Å; V304-H751 WeakPolarHBondContact CG1-O 3.47Å; V304-H751 PolarHBondContact N-O 3.07Å; Q657-H751 PolarHBondContact OE1-CE1 3.08Å; Q657-H751 VanDerWaalsContact OE1-CE1 3.27Å; H751-S766 PolarHBondContact ND1-OG 3.06Å; H751-L767 CarbonylContact C-O 3.43Å; H751-L767 VanDerWaalsContact CA-O 3.24Å; H751-L767 WeakPolarHBondContact CA-O 3.44Å; H751-F768 AromaticContact CD2-CD2 3.6Å; H751-F768 AromaticContact NE2-CD2 3.38Å; H751-F768 WeakPolarHBondContact NE2-CD2 3.36Å; H751-F768 AromaticContact NE2-CG 3.89Å
752	V	97.7	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	106.1	168.7	-170.9	0	0	0	0	107.5	V304 F721 F738 L754 S766 L767 I769	V304-V752 HydrophobicContact CB-CG2 4.09Å; V304-V752 HydrophobicContact CG1-CB 4.15Å; V304-V752 HydrophobicContact CG1-CG1 4.14Å; V304-V752 HydrophobicContact CG1-CG2 3.92Å; V304-V752 HydrophobicContact CG2-CG2 4.19Å; F721-V752 HydrophobicContact CB-CG1 4.36Å; F721-V752 HydrophobicContact CD1-CG2 4.37Å; F721-V752 HydrophobicContact CD2-CG1 4.01Å; F721-V752 HydrophobicContact CD2-CG2 4.47Å; F721-V752 HydrophobicContact CE1-CG2 4.26Å; F721-V752 HydrophobicContact CE2-CG2 4.37Å; F721-V752 HydrophobicContact CG-CG1 4.15Å; F721-V752 HydrophobicContact CG-CG2 4.48Å; F721-V752 HydrophobicContact CZ-CG2 4.26Å; F738-V752 HydrophobicContact CB-CG1 3.65Å; F738-V752 HydrophobicContact CD1-CG1 3.56Å; F738-V752 HydrophobicContact CE1-CG1 4.43Å; F738-V752 HydrophobicContact CG-CG1 3.81Å; V752-L754 PolarHBondContact O-N 3.21Å; V752-S766 CarbonylContact O-C 3.58Å; V752-S766 WeakPolarHBondContact O-CA 3.12Å; V752-S766 WeakPolarHBondContact O-CB 3.34Å; V752-L767 HydrophobicContact CB-CB 4.04Å; V752-L767 HydrophobicContact CG2-CB 4.25Å; V752-L767 PolarHBondContact N-O 3.08Å; V752-L767 PolarHBondContact O-N 3.49Å; V752-I769 HydrophobicContact CG2-CD1 3.54Å; V752-I769 HydrophobicContact CG2-CG1 4.01Å; V752-I769 HydrophobicContact CG2-CG2 4.31Å
753	H	92.4	Very high	90.8	Very high	27 Å²	27	26.9 Å²	26.9	13%	0.125	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.6	178.3	-59.2	72.6	0	0	0	110	L298 D303	L298-H753 PolarHBondContact O-NE2 2.82Å; D303-H753 IonicContact OD2-CE1 3.18Å; D303-H753 IonicContact OD2-CG 2.96Å; D303-H753 IonicContact OD2-ND1 2.69Å; D303-H753 PolarHBondContact OD2-ND1 3.23Å
754	L	94.4	Very high	89.5	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	154	-169.8	-63.8	171.4	0	0	0	112.1	L659 V723 V752 L762 A765 L767	L659-L754 HydrophobicContact CD2-CD1 3.58Å; V723-L754 HydrophobicContact CG2-CD1 3.67Å; V723-L754 HydrophobicContact CG2-CD2 4.07Å; V752-L754 PolarHBondContact O-N 3.21Å; L754-L762 HydrophobicContact CB-CB 4.32Å; L754-L762 HydrophobicContact CB-CD1 4.23Å; L754-L762 WeakPolarHBondContact O-CB 3.47Å; L754-L762 PolarHBondContact O-N 3.04Å; L754-A765 HydrophobicContact CB-CB 4.47Å; L754-A765 HydrophobicContact CD1-CB 4.41Å; L754-A765 PolarHBondContact N-O 2.93Å; L754-L767 HydrophobicContact CD1-CD2 4.4Å; L754-L767 HydrophobicContact CD1-CG 4.34Å; L754-L767 HydrophobicContact CD2-CD1 4.26Å; L754-L767 HydrophobicContact CD2-CG 4.17Å; L754-L767 HydrophobicContact CG-CG 4.47Å
755	L	90.8	Very high	88.8	Confident	36 Å²	36	25 Å²	25	19%	0.188	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.6	176.9	-54	177.5	0	0	0	110.4	G736 Q737 F738 S760 L762	G736-L755 CarbonylContact C-O 3.56Å; G736-L755 VanDerWaalsContact CA-O 3.31Å; G736-L755 WeakPolarHBondContact CA-O 3.44Å; Q737-L755 PolarHBondContact N-O 2.59Å; Q737-L755 WeakPolarHBondContact O-CA 3.39Å; Q737-L755 WeakPolarHBondContact O-CB 3.26Å; Q737-L755 PolarHBondContact O-N 3.31Å; F738-L755 HydrophobicContact CD2-CD1 4.03Å; F738-L755 HydrophobicContact CD2-CG 4.19Å; L755-S760 CarbonylContact C-O 3.43Å; L755-S760 WeakPolarHBondContact CA-O 3.05Å; L755-L762 WeakPolarHBondContact O-CD1 3.29Å
756	K	88.5	Confident	88.6	Confident	83 Å²	83	24 Å²	24	36%	0.361	14%	0.14	S	C	.	.			trans	-70.1	168.2	168.2	-62.1	-169.1	-169.7	174.1	0	109.9	D758 G759 S760 L762	K756-D758 PolarHBondContact O-N 3.49Å; K756-D758 VanDerWaalsContact O-N 3.07Å; K756-G759 PolarHBondContact O-N 2.99Å; K756-S760 WeakPolarHBondContact CD-OG 3.31Å; K756-S760 PolarHBondContact N-O 2.83Å; K756-L762 HydrophobicContact CB-CG 4.48Å; K756-L762 HydrophobicContact CD-CD2 4.05Å; K756-L762 HydrophobicContact CG-CD1 4.25Å; K756-L762 HydrophobicContact CG-CD2 3.39Å; K756-L762 HydrophobicContact CG-CG 3.54Å
757	A	88.5	Confident	88.6	Confident	38 Å²	38	23.1 Å²	23.1	31%	0.314	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.4	176.5	0	0	0	0	0	113.8	P600 F734	P600-A757 HydrophobicContact CB-CB 4.44Å; P600-A757 WeakPolarHBondContact CB-O 3.36Å; F734-A757 HydrophobicContact CD1-CB 4.23Å; F734-A757 HydrophobicContact CE1-CB 3.85Å; F734-A757 HydrophobicContact CZ-CB 4.23Å
758	D	83.3	Confident	88.7	Confident	30 Å²	30	22 Å²	22	16%	0.16	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.5	177.2	67.4	11.2	0	0	0	114.6	G123 S124 P600 K756 S760	G123-D758 VanDerWaalsContact CA-CG 3.43Å; G123-D758 WeakPolarHBondContact CA-OD2 3.36Å; S124-D758 PolarHBondContact N-OD2 3.3Å; S124-D758 PolarHBondContact OG-OD2 3.46Å; P600-D758 HydrophobicContact CB-CB 4.3Å; K756-D758 PolarHBondContact O-N 3.49Å; K756-D758 VanDerWaalsContact O-N 3.07Å; D758-S760 VanDerWaalsContact C-N 3.31Å; D758-S760 PolarHBondContact O-N 2.98Å; D758-S760 VanDerWaalsContact OD1-CB 3.26Å; D758-S760 WeakPolarHBondContact OD1-CB 3.34Å; D758-S760 PolarHBondContact OD1-N 3.28Å; D758-S760 PolarHBondContact OD1-OG 3.32Å
759	G	86.1	Confident	88.7	Confident	21 Å²	21	21.9 Å²	21.9	22%	0.216	13%	0.129	C	C	.	.	S	Bend	trans	81.8	-0.2	179.9	0	0	0	0	0	114.8	K756	K756-G759 PolarHBondContact O-N 2.99Å
760	S	81.2	Confident	88.7	Confident	15 Å²	15	21.6 Å²	21.6	11%	0.105	13%	0.129	C	C	.	.			trans	-73.2	149.1	174.4	63.7	0	0	0	0	111.9	L755 K756 D758	L755-S760 CarbonylContact C-O 3.43Å; L755-S760 WeakPolarHBondContact CA-O 3.05Å; K756-S760 WeakPolarHBondContact CD-OG 3.31Å; K756-S760 PolarHBondContact N-O 2.83Å; D758-S760 VanDerWaalsContact C-N 3.31Å; D758-S760 PolarHBondContact O-N 2.98Å; D758-S760 VanDerWaalsContact OD1-CB 3.26Å; D758-S760 WeakPolarHBondContact OD1-CB 3.34Å; D758-S760 PolarHBondContact OD1-N 3.28Å; D758-S760 PolarHBondContact OD1-OG 3.32Å
761	S	79.8	Confident	88.8	Confident	63 Å²	63	21.7 Å²	21.7	44%	0.441	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.5	-176.5	-175.3	0	0	0	0	112.6	S763	S761-S763 VanDerWaalsContact C-N 3.35Å; S761-S763 VanDerWaalsContact OG-CB 3.32Å; S761-S763 WeakPolarHBondContact OG-CB 3.09Å; S761-S763 PolarHBondContact OG-N 3.25Å; S761-S763 VanDerWaalsContact OG-N 3.11Å
762	L	77.2	Confident	88.8	Confident	22 Å²	22	27.5 Å²	27.5	12%	0.115	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	14.6	167	-77.9	172.6	0	0	0	112.9	P660 V735 L754 L755 K756 A765	P660-L762 HydrophobicContact CB-CD2 4.48Å; P660-L762 HydrophobicContact CG-CD1 4.34Å; P660-L762 HydrophobicContact CG-CD2 3.92Å; V735-L762 VanDerWaalsContact O-CD1 3.3Å; V735-L762 WeakPolarHBondContact O-CD1 3.34Å; L754-L762 HydrophobicContact CB-CB 4.32Å; L754-L762 HydrophobicContact CB-CD1 4.23Å; L754-L762 WeakPolarHBondContact O-CB 3.47Å; L754-L762 PolarHBondContact O-N 3.04Å; L755-L762 WeakPolarHBondContact O-CD1 3.29Å; K756-L762 HydrophobicContact CB-CG 4.48Å; K756-L762 HydrophobicContact CD-CD2 4.05Å; K756-L762 HydrophobicContact CG-CD1 4.25Å; K756-L762 HydrophobicContact CG-CD2 3.39Å; K756-L762 HydrophobicContact CG-CG 3.54Å; L762-A765 HydrophobicContact CB-CB 3.89Å; L762-A765 WeakPolarHBondContact O-CB 3.31Å; L762-A765 PolarHBondContact O-N 2.92Å
763	S	71.4	Confident	88.8	Confident	39 Å²	39	28.4 Å²	28.4	27%	0.273	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	129.2	178.3	-176.3	0	0	0	0	110.7	S761	S761-S763 VanDerWaalsContact C-N 3.35Å; S761-S763 VanDerWaalsContact OG-CB 3.32Å; S761-S763 WeakPolarHBondContact OG-CB 3.09Å; S761-S763 PolarHBondContact OG-N 3.25Å; S761-S763 VanDerWaalsContact OG-N 3.11Å
764	P	70.8	Confident	88.8	Confident	27 Å²	27	29.3 Å²	29.3	18%	0.175	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-88.9	8.3	14.1	34.6	-38.2	0	0	0	117.2	Q157 Q658 S766	Q157-P764 HydrophobicContact CG-CB 4.1Å; Q157-P764 PolarHBondContact NE2-O 2.9Å; Q658-P764 HydrophobicContact CB-CG 4.11Å; P764-S766 PolarHBondContact O-N 3.02Å
765	A	83.9	Confident	88.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	125.8	-174.9	0	0	0	0	0	113.3	Q657 Q658 L754 L762	Q657-A765 VanDerWaalsContact O-CA 3.24Å; Q657-A765 WeakPolarHBondContact O-CA 3.21Å; Q658-A765 VanDerWaalsContact O-CB 3.31Å; Q658-A765 WeakPolarHBondContact O-CB 3.18Å; L754-A765 HydrophobicContact CB-CB 4.47Å; L754-A765 HydrophobicContact CD1-CB 4.41Å; L754-A765 PolarHBondContact N-O 2.93Å; L762-A765 HydrophobicContact CB-CB 3.89Å; L762-A765 WeakPolarHBondContact O-CB 3.31Å; L762-A765 PolarHBondContact O-N 2.92Å
766	S	92.4	Very high	87.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157	179.7	66.5	0	0	0	0	113.7	A656 Q657 H751 V752 P764	A656-S766 CarbonylContact C-O 3.6Å; A656-S766 WeakPolarHBondContact CA-O 3.45Å; A656-S766 WeakPolarHBondContact CB-O 3.34Å; Q657-S766 PolarHBondContact N-O 3.24Å; Q657-S766 PolarHBondContact O-N 2.75Å; Q657-S766 VanDerWaalsContact O-N 3.14Å; Q657-S766 PolarHBondContact OE1-O 2.75Å; Q657-S766 PolarHBondContact OE1-OG 2.6Å; H751-S766 PolarHBondContact ND1-OG 3.06Å; V752-S766 CarbonylContact O-C 3.58Å; V752-S766 WeakPolarHBondContact O-CA 3.12Å; V752-S766 WeakPolarHBondContact O-CB 3.34Å; P764-S766 PolarHBondContact O-N 3.02Å
767	L	97.4	Very high	85.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.9	164.1	-54.3	176.4	0	0	0	109.7	S655 A656 V675 F721 V723 H751 V752 L754 I769	S655-L767 CarbonylContact O-C 3.57Å; A656-L767 HydrophobicContact CB-CD2 3.55Å; V675-L767 HydrophobicContact CG1-CD1 3.84Å; V675-L767 HydrophobicContact CG2-CD1 4.46Å; V675-L767 HydrophobicContact CG2-CD2 3.92Å; F721-L767 HydrophobicContact CB-CD1 4.22Å; F721-L767 HydrophobicContact CD1-CD1 4.21Å; V723-L767 HydrophobicContact CG2-CD1 4.21Å; V723-L767 HydrophobicContact CG2-CD2 3.85Å; V723-L767 HydrophobicContact CG2-CG 4.34Å; H751-L767 CarbonylContact C-O 3.43Å; H751-L767 VanDerWaalsContact CA-O 3.24Å; H751-L767 WeakPolarHBondContact CA-O 3.44Å; V752-L767 HydrophobicContact CB-CB 4.04Å; V752-L767 HydrophobicContact CG2-CB 4.25Å; V752-L767 PolarHBondContact N-O 3.08Å; V752-L767 PolarHBondContact O-N 3.49Å; L754-L767 HydrophobicContact CD1-CD2 4.4Å; L754-L767 HydrophobicContact CD1-CG 4.34Å; L754-L767 HydrophobicContact CD2-CD1 4.26Å; L754-L767 HydrophobicContact CD2-CG 4.17Å; L754-L767 HydrophobicContact CG-CG 4.47Å; L767-I769 HydrophobicContact CB-CG2 4.07Å
768	F	97.8	Very high	83.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.3	166.2	-177.3	-128.9	0	0	0	109.3	E233 L234 M297 I654 S655 Y749 R750 H751	E233-F768 HydrophobicContact CG-CD1 3.72Å; E233-F768 HydrophobicContact CG-CE1 3.98Å; L234-F768 HydrophobicContact CD2-CD1 4.46Å; L234-F768 HydrophobicContact CD2-CD2 4.46Å; L234-F768 HydrophobicContact CD2-CE1 3.77Å; L234-F768 HydrophobicContact CD2-CE2 3.78Å; L234-F768 HydrophobicContact CD2-CZ 3.39Å; L234-F768 HydrophobicContact CG-CE1 4.43Å; L234-F768 HydrophobicContact CG-CZ 4.47Å; M297-F768 HydrophobicContact CE-CE2 3.78Å; M297-F768 HydrophobicContact CE-CZ 4.28Å; I654-F768 HydrophobicContact CB-CD1 3.95Å; I654-F768 VanDerWaalsContact CB-O 3.31Å; I654-F768 WeakPolarHBondContact CB-O 3.46Å; I654-F768 HydrophobicContact CD1-CD1 3.84Å; I654-F768 HydrophobicContact CD1-CE1 3.65Å; I654-F768 HydrophobicContact CD1-CZ 4.23Å; I654-F768 HydrophobicContact CG1-CD1 4.5Å; I654-F768 HydrophobicContact CG2-CD1 3.92Å; I654-F768 HydrophobicContact CG2-CE1 4.3Å; I654-F768 PolarHBondContact N-O 3.26Å; S655-F768 PolarHBondContact N-O 3.36Å; S655-F768 PolarHBondContact O-N 2.75Å; Y749-F768 HydrophobicContact CD1-CE1 4.17Å; Y749-F768 HydrophobicContact CD1-CE2 4.15Å; Y749-F768 AromaticContact CD1-CZ 3.51Å; Y749-F768 HydrophobicContact CD1-CZ 3.51Å; Y749-F768 HydrophobicContact CE1-CZ 4.38Å; Y749-F768 HydrophobicContact CG-CE2 4.44Å; Y749-F768 HydrophobicContact CG-CZ 4.04Å; R750-F768 WeakPolarHBondContact O-CD2 3.36Å; H751-F768 AromaticContact CD2-CD2 3.6Å; H751-F768 AromaticContact NE2-CD2 3.38Å; H751-F768 WeakPolarHBondContact NE2-CD2 3.36Å; H751-F768 AromaticContact NE2-CG 3.89Å
769	I	98.5	Very high	81.6	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.3	-173.1	67.4	169.9	0	0	0	111.2	V304 I651 K652 I653 F721 Y749 R750 V752 L767 V771	V304-I769 HydrophobicContact CG2-CD1 4.02Å; I651-I769 HydrophobicContact CG2-CB 4.32Å; I651-I769 HydrophobicContact CG2-CD1 4.2Å; K652-I769 CarbonylContact O-C 3.35Å; K652-I769 WeakPolarHBondContact O-CA 3.02Å; I653-I769 HydrophobicContact CD1-CG2 3.71Å; F721-I769 HydrophobicContact CE1-CD1 3.86Å; F721-I769 HydrophobicContact CZ-CD1 3.82Å; Y749-I769 CarbonylContact C-O 3.58Å; Y749-I769 WeakPolarHBondContact CA-O 3.42Å; R750-I769 HydrophobicContact CB-CG1 4.24Å; R750-I769 PolarHBondContact N-O 2.93Å; R750-I769 PolarHBondContact O-N 2.93Å; V752-I769 HydrophobicContact CG2-CD1 3.54Å; V752-I769 HydrophobicContact CG2-CG1 4.01Å; V752-I769 HydrophobicContact CG2-CG2 4.31Å; L767-I769 HydrophobicContact CB-CG2 4.07Å; I769-V771 HydrophobicContact CD1-CG2 3.53Å; I769-V771 HydrophobicContact CG1-CG2 4.06Å
770	H	98.3	Very high	79.4	Confident	53 Å²	53	47.5 Å²	47.5	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.7	165.9	176.8	-83.4	0	0	0	110.2	K652 I654 G748 Y749	K652-H770 HydrophobicContact CB-CB 4.25Å; K652-H770 PolarHBondContact N-O 3.02Å; K652-H770 PolarHBondContact O-N 3.36Å; I654-H770 HydrophobicContact CD1-CB 4.09Å; G748-H770 WeakPolarHBondContact O-CA 3.29Å; Y749-H770 HydrophobicContact CD1-CB 3.83Å; Y749-H770 AromaticContact CD1-CD2 3.81Å; Y749-H770 AromaticContact CD2-CD2 3.8Å; Y749-H770 HydrophobicContact CE1-CB 3.87Å; Y749-H770 AromaticContact CE1-CD2 3.75Å; Y749-H770 AromaticContact CE2-CD2 3.72Å; Y749-H770 AromaticContact CG-CD2 3.83Å; Y749-H770 AromaticContact CZ-CD2 3.7Å
771	V	98.4	Very high	77.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.2	-174.8	-178.9	0	0	0	0	110.4	L649 I651 L745 R746 T747 G748 I769 V773	L649-V771 HydrophobicContact CD1-CG1 3.93Å; I651-V771 HydrophobicContact CG1-CG2 4.5Å; L745-V771 HydrophobicContact CD2-CG1 3.75Å; L745-V771 HydrophobicContact CG-CG1 4.11Å; R746-V771 WeakPolarHBondContact O-CB 3.37Å; T747-V771 CarbonylContact C-O 3.49Å; T747-V771 WeakPolarHBondContact CA-O 3.47Å; G748-V771 PolarHBondContact N-O 3.3Å; G748-V771 PolarHBondContact O-N 2.64Å; I769-V771 HydrophobicContact CD1-CG2 3.53Å; I769-V771 HydrophobicContact CG1-CG2 4.06Å; V771-V773 HydrophobicContact CG1-CG2 4.38Å
772	K	96.9	Very high	75.7	Confident	122 Å²	122	51.3 Å²	51.3	53%	0.53	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.9	172.4	-177.7	178.1	178.8	179.3	0	109.8	T650	T650-K772 PolarHBondContact N-O 2.59Å; T650-K772 PolarHBondContact O-N 3.38Å
773	V	95.9	Very high	74.1	Confident	20 Å²	20	55 Å²	55	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.4	176.8	178	0	0	0	0	109	T647 Q648 L649 F742 T747 V771	T647-V773 HydrophobicContact CG2-CG1 3.55Å; Q648-V773 WeakPolarHBondContact O-CA 3.29Å; L649-V773 HydrophobicContact CD1-CG2 3.96Å; F742-V773 HydrophobicContact CE2-CG1 4.42Å; F742-V773 HydrophobicContact CE2-CG2 4.08Å; F742-V773 HydrophobicContact CZ-CG1 3.79Å; F742-V773 HydrophobicContact CZ-CG2 4.16Å; T747-V773 HydrophobicContact CG2-CB 4.1Å; T747-V773 HydrophobicContact CG2-CG2 3.96Å; V771-V773 HydrophobicContact CG1-CG2 4.38Å
774	S	92.6	Very high	72.6	Confident	46 Å²	46	56.6 Å²	56.6	32%	0.322	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.2	173.7	51.7	0	0	0	0	111	Q648 L776	Q648-S774 PolarHBondContact N-O 2.82Å; Q648-S774 PolarHBondContact O-N 2.8Å; S774-L776 PolarHBondContact O-N 3.45Å
775	N	85.4	Confident	71.1	Confident	101 Å²	101	60.4 Å²	60.4	54%	0.54	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.8	175.5	-61.3	-4.1	0	0	0	108.8
776	L	70.6	Confident	69.4	Low	80 Å²	80	67.2 Å²	67.2	42%	0.419	39%	0.386	S	S	.	.	S	Bend	trans	-91.5	123.1	174.6	-64.6	173.3	0	0	0	107.4	P646 Q648 S774	P646-L776 HydrophobicContact CB-CB 4.19Å; P646-L776 WeakPolarHBondContact CB-O 3.24Å; P646-L776 PolarHBondContact O-N 2.82Å; P646-L776 VanDerWaalsContact O-O 3.12Å; Q648-L776 HydrophobicContact CB-CD1 3.97Å; Q648-L776 HydrophobicContact CB-CG 4.14Å; S774-L776 PolarHBondContact O-N 3.45Å
777	G	57.6	Low	67.2	Low	76 Å²	76	73.2 Å²	73.2	78%	0.784	42%	0.415	S	S	*	.	S	Bend	trans	95.2	15.8	169.6	0	0	0	0	0	118	P779	G777-P779 WeakPolarHBondContact O-CD 3.22Å
778	V	44.2	Very low	64.9	Low	105 Å²	105	76.3 Å²	76.3	64%	0.636	44%	0.441	S	S	*	.			trans	-83	109	148.9	-176.6	0	0	0	0	106	V780	V778-V780 VanDerWaalsContact C-N 3.32Å; V778-V780 PolarHBondContact O-N 2.87Å
779	P	36.7	Very low	62.6	Low	111 Å²	111	82.4 Å²	82.4	72%	0.721	47%	0.471	S	S	*	.			trans	-62.3	103.1	168.4	25	-29.4	0	0	0	106.5	G777 K781	G777-P779 WeakPolarHBondContact O-CD 3.22Å; P779-K781 PolarHBondContact O-N 2.83Å
780	V	39.9	Very low	60.1	Low	117 Å²	117	86.2 Å²	86.2	71%	0.709	50%	0.502	S	S	*	.			trans	-65.2	97.8	163.1	178.6	0	0	0	0	104.1	V778 S782	V778-V780 VanDerWaalsContact C-N 3.32Å; V778-V780 PolarHBondContact O-N 2.87Å; V780-S782 PolarHBondContact O-N 3.31Å
781	K	38.6	Very low	57.9	Low	105 Å²	105	92.4 Å²	92.4	46%	0.457	53%	0.528	S	S	.	.			trans	-50.8	117.6	169.2	-73.1	-174.3	-179.9	-178.2	0	106.5	P779 E785 R786	P779-K781 PolarHBondContact O-N 2.83Å; K781-E785 VanDerWaalsContact CA-OE2 3.23Å; K781-E785 WeakPolarHBondContact CA-OE2 3.43Å; K781-E785 HydrophobicContact CB-CB 4.22Å; K781-R786 HydrophobicContact CB-CG 4.24Å; K781-R786 PolarHBondContact O-NE 3.05Å; K781-R786 PolarHBondContact O-NH2 2.96Å
782	S	45.8	Very low	55.6	Low	52 Å²	52	95.4 Å²	95.4	36%	0.364	56%	0.56	S	S	.	*			trans	-55.6	153.2	178.6	65.2	0	0	0	0	108.3	V780 A784 E785 R786	V780-S782 PolarHBondContact O-N 3.31Å; S782-A784 PolarHBondContact O-N 2.95Å; S782-E785 PolarHBondContact N-OE2 3.32Å; S782-E785 PolarHBondContact O-N 3.07Å; S782-E785 WeakPolarHBondContact OG-CG 3.39Å; S782-E785 PolarHBondContact OG-N 3.1Å; S782-E785 PolarHBondContact OG-OE2 3.43Å; S782-R786 PolarHBondContact O-N 3.18Å
783	V	42.6	Very low	53.4	Low	100 Å²	100	98.7 Å²	98.7	61%	0.606	57%	0.574	S	S	*	*	H	α-helix	trans	-53.7	-30.8	175.9	176.2	0	0	0	0	110.4	R786 M787	V783-R786 PolarHBondContact O-N 2.89Å; V783-M787 HydrophobicContact CG1-CE 4.49Å; V783-M787 WeakPolarHBondContact O-CG 3.23Å; V783-M787 PolarHBondContact O-N 3.37Å; V783-M787 VanDerWaalsContact O-N 3.1Å
784	A	40.6	Very low	50.8	Low	72 Å²	72	110.8 Å²	110.8	60%	0.595	63%	0.625	S	S	*	*	H	α-helix	trans	-63.2	-43.1	173.4	0	0	0	0	0	113.8	S782 M787 A788	S782-A784 PolarHBondContact O-N 2.95Å; A784-M787 PolarHBondContact O-N 3.49Å; A784-A788 PolarHBondContact O-N 3.39Å
785	E	40	Very low	48.7	Very low	107 Å²	107	114 Å²	114	50%	0.5	64%	0.64	S	S	.	*	H	α-helix	trans	-70.8	-31.1	178.5	-72.3	167.3	147.3	0	0	112.9	K781 S782 M789	K781-E785 VanDerWaalsContact CA-OE2 3.23Å; K781-E785 WeakPolarHBondContact CA-OE2 3.43Å; K781-E785 HydrophobicContact CB-CB 4.22Å; S782-E785 PolarHBondContact N-OE2 3.32Å; S782-E785 PolarHBondContact O-N 3.07Å; S782-E785 WeakPolarHBondContact OG-CG 3.39Å; S782-E785 PolarHBondContact OG-N 3.1Å; S782-E785 PolarHBondContact OG-OE2 3.43Å; E785-M789 PolarHBondContact O-N 3.47Å
786	R	47.2	Very low	46.7	Very low	144 Å²	144	114.7 Å²	114.7	54%	0.543	65%	0.645	S	S	.	*	H	α-helix	trans	-69.9	-36.3	172.1	-82	-177.8	-88.6	-168.9	-5.7	112.3	K781 S782 V783 A790	K781-R786 HydrophobicContact CB-CG 4.24Å; K781-R786 PolarHBondContact O-NE 3.05Å; K781-R786 PolarHBondContact O-NH2 2.96Å; S782-R786 PolarHBondContact O-N 3.18Å; V783-R786 PolarHBondContact O-N 2.89Å; R786-A790 PolarHBondContact O-N 3.28Å
787	M	46.5	Very low	45.4	Very low	126 Å²	126	116.6 Å²	116.6	62%	0.621	66%	0.658	S	S	*	*	H	α-helix	trans	-74	-30.1	176	-70.4	-140.8	177.4	0	0	113.4	V783 A784 A790 K791	V783-M787 HydrophobicContact CG1-CE 4.49Å; V783-M787 WeakPolarHBondContact O-CG 3.23Å; V783-M787 PolarHBondContact O-N 3.37Å; V783-M787 VanDerWaalsContact O-N 3.1Å; A784-M787 PolarHBondContact O-N 3.49Å; M787-A790 PolarHBondContact O-N 3.02Å; M787-K791 PolarHBondContact O-N 3.24Å
788	A	48.7	Very low	44.7	Very low	65 Å²	65	119 Å²	119	54%	0.537	65%	0.65	S	S	.	*	H	α-helix	trans	-65.5	-38.3	175.8	0	0	0	0	0	112.6	A784 K791 G792	A784-A788 PolarHBondContact O-N 3.39Å; A788-K791 PolarHBondContact O-N 3.33Å; A788-G792 PolarHBondContact O-N 3.19Å
789	M	49.7	Very low	44.7	Very low	128 Å²	128	119.9 Å²	119.9	63%	0.631	65%	0.651	S	S	*	*	H	α-helix	trans	-72.8	-29.6	175.6	-79.5	-173	165.6	0	0	113.5	E785 K791 G792	E785-M789 PolarHBondContact O-N 3.47Å; M789-K791 VanDerWaalsContact C-N 3.26Å; M789-K791 PolarHBondContact O-N 3.32Å; M789-G792 PolarHBondContact O-N 3.47Å
790	A	46	Very low	45.3	Very low	80 Å²	80	120.5 Å²	120.5	66%	0.661	65%	0.646	S	S	*	*	H	α-helix	trans	-69.4	-25.2	172.8	0	0	0	0	0	112.5	R786 M787	R786-A790 PolarHBondContact O-N 3.28Å; M787-A790 PolarHBondContact O-N 3.02Å
791	K	51.3	Low	45.7	Very low	183 Å²	183	120.7 Å²	120.7	80%	0.796	64%	0.642	S	S	*	*	H	α-helix	trans	-87.8	-13	173.7	-73.1	-176.3	176.8	-179.2	0	114.1	M787 A788 M789	M787-K791 PolarHBondContact O-N 3.24Å; A788-K791 PolarHBondContact O-N 3.33Å; M789-K791 VanDerWaalsContact C-N 3.26Å; M789-K791 PolarHBondContact O-N 3.32Å
792	G	51.9	Low	46.2	Very low	64 Å²	64	121.9 Å²	121.9	66%	0.66	66%	0.656	S	S	*	*	S	Bend	trans	-93.3	3.3	178.9	0	0	0	0	0	115.3	A788 M789	A788-G792 PolarHBondContact O-N 3.19Å; M789-G792 PolarHBondContact O-N 3.47Å
793	K	49.2	Very low	46.2	Very low	190 Å²	190	127.8 Å²	127.8	83%	0.826	68%	0.681	S	S	*	*			trans	-115.1	76.6	168	-76.6	-172	176.6	-176.5	0	109.5
794	K	41.1	Very low	46.6	Very low	274 Å²	274	130.3 Å²	130.3	100%	1.191	69%	0.687	S	S	*	*			trans	-139.3	0	154.6	-94.3	-167	175.8	-175.3	0	108.5

Retrieved 794 of 794 residues in 769 ms (Link to these results)

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