A0A087XUX8_POEFO Loading...

peptidylprolyl isomerase

PPIases accelerate the folding of proteins during protein synthesis.

AlphaFold DB , UniProt , Accession A0A087XUX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	34.8	Very low	233 Å²	233	153 Å²	153	100%	1.148	87%	0.869	S	S	*	*				0	132.9	0	-123.3	-176.3	-79.4	0	0	107.5
2	I	36.4	Very low	35.1	Very low	167 Å²	167	150 Å²	150	86%	0.856	87%	0.865	S	S	*	*			trans	88.3	132.5	164	-54.2	165	0	0	0	116.9
3	K	35.4	Very low	35.3	Very low	189 Å²	189	150.8 Å²	150.8	82%	0.822	86%	0.863	S	S	*	*			trans	-97.8	165	-164.4	-76.5	172	162.4	176.3	0	111.8
4	C	31.9	Very low	35.7	Very low	113 Å²	113	151.5 Å²	151.5	76%	0.764	86%	0.861	S	S	*	*			trans	70.8	126.1	133.7	-86.6	0	0	0	0	121
5	A	34.5	Very low	35.8	Very low	97 Å²	97	149.4 Å²	149.4	80%	0.802	85%	0.852	S	S	*	*				66.7	148.1	120.9	0	0	0	0	0	116.8
6	L	33	Very low	36.1	Very low	169 Å²	169	147.9 Å²	147.9	89%	0.885	85%	0.847	S	S	*	*			cis	177.5	139.2	-5.7	177.3	80.1	0	0	0	101
7	G	32.9	Very low	36.3	Very low	76 Å²	76	151 Å²	151	78%	0.784	85%	0.849	S	S	*	*			trans	-173.7	80.3	177.2	0	0	0	0	0	112.8
8	M	33.3	Very low	36.5	Very low	178 Å²	178	147.9 Å²	147.9	88%	0.877	85%	0.845	S	S	*	*			trans	-64.7	134.8	166.5	-79.2	179.4	-162.5	0	0	110.5
9	L	37.3	Very low	36.7	Very low	173 Å²	173	145.2 Å²	145.2	91%	0.906	84%	0.843	S	S	*	*			trans	-140.1	113.9	152.2	-108.5	145.2	0	0	0	107.7
10	S	36	Very low	36.7	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	84%	0.844	S	S	*	*			trans	-73.7	124.4	176.3	28.4	0	0	0	0	110.5
11	L	36.6	Very low	37.3	Very low	170 Å²	170	145 Å²	145	89%	0.89	84%	0.844	S	S	*	*			trans	-138.6	112.3	161.3	-153.4	77.1	0	0	0	108.4
12	S	38.8	Very low	37.4	Very low	117 Å²	117	138 Å²	138	82%	0.818	82%	0.823	S	S	*	*			trans	-76.5	123.4	175.4	29.1	0	0	0	0	110.6
13	L	37.1	Very low	37.8	Very low	161 Å²	161	135.2 Å²	135.2	84%	0.843	82%	0.816	S	S	*	*			trans	-145.2	133.6	160.6	-142.4	79.8	0	0	0	110.2
14	L	40.9	Very low	38.6	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	81%	0.813	S	S	*	*			trans	-53.1	138.1	-177.3	-79.4	83.7	0	0	0	113.1
15	V	37.5	Very low	39.6	Very low	120 Å²	120	132.4 Å²	132.4	73%	0.727	81%	0.813	S	S	*	*			trans	-124.1	104.3	158.7	-178.9	0	0	0	0	108.1
16	T	40.4	Very low	40.9	Very low	125 Å²	125	132.6 Å²	132.6	77%	0.767	81%	0.806	S	S	*	*			trans	-74.1	118.2	164.3	37.4	0	0	0	0	108.8	A18	T16-A18 PolarHBondContact O-N 3.23Å
17	F	40.4	Very low	42.7	Very low	201 Å²	201	126.8 Å²	126.8	88%	0.882	78%	0.776	S	S	*	*			trans	-69.5	110	168.8	-84.8	-91.2	0	0	0	109.3
18	A	38.8	Very low	44.9	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	77%	0.773	S	S	*	*			trans	-83.9	109.9	162.4	0	0	0	0	0	108	T16 C20	T16-A18 PolarHBondContact O-N 3.23Å; A18-C20 PolarHBondContact O-N 2.88Å
19	A	41.7	Very low	47.5	Very low	96 Å²	96	125.4 Å²	125.4	79%	0.793	75%	0.754	S	S	*	*			trans	-69.5	109.9	165.3	0	0	0	0	0	108.3	N21	A19-N21 PolarHBondContact O-N 3.48Å; A19-N21 VanDerWaalsContact O-N 3.11Å
20	C	35.9	Very low	50.1	Low	130 Å²	130	118.9 Å²	118.9	88%	0.878	72%	0.719	S	S	*	*			trans	-71.2	98.8	168.5	-99	0	0	0	0	109.1	A18 A22	A18-C20 PolarHBondContact O-N 2.88Å; C20-A22 PolarHBondContact O-N 2.91Å
21	N	49.6	Very low	52.8	Low	157 Å²	157	116.6 Å²	116.6	84%	0.84	70%	0.698	S	S	*	*			trans	-72.9	101.3	155.8	-86	-14.4	0	0	0	107.7	A19	A19-N21 PolarHBondContact O-N 3.48Å; A19-N21 VanDerWaalsContact O-N 3.11Å
22	A	37.5	Very low	55.6	Low	85 Å²	85	111.2 Å²	111.2	70%	0.702	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.3	134.2	164.9	0	0	0	0	0	108.8	C20	C20-A22 PolarHBondContact O-N 2.91Å
23	P	43.3	Very low	58.3	Low	110 Å²	110	109.2 Å²	109.2	71%	0.714	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-62.5	142.9	173.3	25.1	-31.2	0	0	0	109.7	V25	P23-V25 PolarHBondContact O-N 2.89Å
24	P	53.3	Low	61	Low	115 Å²	115	106 Å²	106	75%	0.747	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-58.8	130.8	176.3	23.7	-31.2	0	0	0	109.4
25	V	53.3	Low	63.6	Low	128 Å²	128	102.4 Å²	102.4	78%	0.776	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.4	131.8	173.7	179.9	0	0	0	0	108.2	P23 L27	P23-V25 PolarHBondContact O-N 2.89Å; V25-L27 PolarHBondContact O-N 2.66Å
26	P	61.1	Low	66.3	Low	100 Å²	100	101.7 Å²	101.7	65%	0.649	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-59.1	125.5	178.1	-19.9	30.7	0	0	0	110.2	D28	P26-D28 PolarHBondContact O-N 3.48Å
27	L	70.6	Confident	68.8	Low	48 Å²	48	101.1 Å²	101.1	25%	0.251	59%	0.59	S	S	.	*			trans	-83.7	100	171	-175.4	67.7	0	0	0	107.1	V25 D29 L31 K104 P106	V25-L27 PolarHBondContact O-N 2.66Å; L27-D29 WeakPolarHBondContact CD1-O 3.35Å; L27-D29 WeakPolarHBondContact CG-O 3.38Å; L27-L31 HydrophobicContact CD1-CB 4.04Å; L27-K104 HydrophobicContact CD2-CB 3.96Å; L27-P106 HydrophobicContact CB-CB 4.23Å; L27-P106 HydrophobicContact CD2-CB 4.26Å; L27-P106 HydrophobicContact CD2-CG 4.44Å; L27-P106 HydrophobicContact CG-CB 4.22Å; L27-P106 HydrophobicContact CG-CG 4.36Å; L27-P106 WeakPolarHBondContact O-CB 3.38Å
28	D	78.5	Confident	71.2	Confident	135 Å²	135	92.6 Å²	92.6	72%	0.722	55%	0.554	S	S	*	*			trans	-81.6	-19.1	-176.3	-71.8	-27.4	0	0	0	113.2	P26 H108	P26-D28 PolarHBondContact O-N 3.48Å; D28-H108 PolarHBondContact O-CE1 3.35Å; D28-H108 VanDerWaalsContact O-CE1 3.23Å; D28-H108 PolarHBondContact O-NE2 3.03Å
29	D	87.9	Confident	73.5	Confident	89 Å²	89	97.6 Å²	97.6	48%	0.476	56%	0.561	S	S	.	*	S	Bend	trans	-144.2	171.9	175.4	-157.6	-0.5	0	0	0	110.5	L27 K90	L27-D29 WeakPolarHBondContact CD1-O 3.35Å; L27-D29 WeakPolarHBondContact CG-O 3.38Å; D29-K90 IonicContact OD1-NZ 3.14Å
30	I	92	Very high	75.6	Confident	36 Å²	36	100.5 Å²	100.5	19%	0.185	56%	0.558	C	S	.	*			trans	-60.2	145.5	175.8	58.9	166.9	0	0	0	112	V32 K90 A91 K104 I105 L109	I30-V32 HydrophobicContact CD1-CG2 4.08Å; I30-K90 HydrophobicContact CD1-CB 3.62Å; I30-A91 HydrophobicContact CD1-CB 3.98Å; I30-K104 WeakPolarHBondContact CA-O 3.47Å; I30-I105 HydrophobicContact CG2-CG1 4.3Å; I30-I105 HydrophobicContact CG2-CG2 4.37Å; I30-L109 HydrophobicContact CG2-CD1 3.76Å
31	L	93.9	Very high	78.1	Confident	71 Å²	71	97.2 Å²	97.2	37%	0.372	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.5	168.7	179.3	61.7	0	0	0	109.1	L27 E33 V103 K104	L27-L31 HydrophobicContact CD1-CB 4.04Å; L31-E33 HydrophobicContact CD2-CG 4.43Å; L31-E33 WeakPolarHBondContact CD2-OE1 3.47Å; L31-E33 HydrophobicContact CG-CG 4.17Å; L31-V103 CarbonylContact O-C 3.55Å; L31-V103 WeakPolarHBondContact O-CA 3.42Å; L31-K104 HydrophobicContact CB-CB 4.29Å; L31-K104 HydrophobicContact CD2-CD 4.25Å; L31-K104 PolarHBondContact N-O 2.82Å; L31-K104 PolarHBondContact O-N 3.37Å
32	V	94.4	Very high	79.4	Confident	57 Å²	57	96 Å²	96	35%	0.345	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.8	177	-175.9	0	0	0	0	108.5	I30 A91 V103	I30-V32 HydrophobicContact CD1-CG2 4.08Å; V32-A91 HydrophobicContact CG2-CB 3.93Å; V32-V103 HydrophobicContact CG1-CG2 4.47Å; V32-V103 HydrophobicContact CG2-CG1 4.42Å; V32-V103 HydrophobicContact CG2-CG2 4.48Å
33	E	95.3	Very high	81.8	Confident	75 Å²	75	95.2 Å²	95.2	35%	0.35	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.1	176.4	-72.4	167.7	-166.3	0	0	108.8	L31 T35 S101 L102 K104	L31-E33 HydrophobicContact CD2-CG 4.43Å; L31-E33 WeakPolarHBondContact CD2-OE1 3.47Å; L31-E33 HydrophobicContact CG-CG 4.17Å; E33-T35 PolarHBondContact O-N 3.07Å; E33-T35 VanDerWaalsContact O-N 3.15Å; E33-S101 CarbonylContact O-C 3.58Å; E33-S101 WeakPolarHBondContact O-CA 3.49Å; E33-L102 HydrophobicContact CB-CB 4.32Å; E33-L102 PolarHBondContact N-O 2.97Å; E33-L102 PolarHBondContact O-N 2.93Å; E33-K104 IonicContact OE1-NZ 2.75Å; E33-K104 PolarHBondContact OE1-NZ 2.83Å; E33-K104 IonicContact OE2-NZ 2.67Å; E33-K104 PolarHBondContact OE2-NZ 2.68Å
34	K	94.6	Very high	84.2	Confident	94 Å²	94	91.7 Å²	91.7	41%	0.409	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	115.1	173	-60.4	-165.3	179.1	-156.9	0	109.1	E37 E99	K34-E37 HydrophobicContact CD-CB 4.42Å; K34-E37 HydrophobicContact CD-CG 4.31Å; K34-E37 IonicContact NZ-OE1 2.91Å; K34-E37 PolarHBondContact NZ-OE1 3.44Å; K34-E99 HydrophobicContact CD-CG 4.43Å; K34-E99 WeakPolarHBondContact CE-OE1 3.26Å; K34-E99 WeakPolarHBondContact CE-OE2 3.38Å; K34-E99 IonicContact NZ-OE1 2.74Å; K34-E99 IonicContact NZ-OE2 2.65Å; K34-E99 PolarHBondContact NZ-OE2 2.88Å
35	T	94.9	Very high	86.3	Confident	84 Å²	84	86.3 Å²	86.3	52%	0.515	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-25.5	177.6	58.8	0	0	0	0	111.8	E33 R100 L102	E33-T35 PolarHBondContact O-N 3.07Å; E33-T35 VanDerWaalsContact O-N 3.15Å; T35-R100 WeakPolarHBondContact CA-O 3.32Å; T35-R100 PolarHBondContact N-O 3.11Å; T35-R100 VanDerWaalsContact OG1-C 3.32Å; T35-R100 PolarHBondContact OG1-O 3.01Å; T35-L102 HydrophobicContact CG2-CB 3.99Å
36	F	95.4	Very high	88.3	Confident	105 Å²	105	87 Å²	87	46%	0.461	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	133.7	169.6	174	-99	0	0	0	109.1	N98 E99 R100	F36-N98 WeakPolarHBondContact CD1-O 3.05Å; F36-N98 WeakPolarHBondContact CE1-O 3.37Å; F36-E99 VanDerWaalsContact O-CG 3.29Å; F36-E99 WeakPolarHBondContact O-CG 3.35Å; F36-R100 HydrophobicContact CB-CB 3.97Å; F36-R100 PolarHBondContact N-O 3.08Å; F36-R100 PolarHBondContact O-N 3.38Å
37	E	91.8	Very high	90	Very high	113 Å²	113	87.1 Å²	87.1	53%	0.528	45%	0.45	S	S	.	.			trans	-123.4	128.9	177.4	-172.6	163.8	-149.3	0	0	108.8	K34	K34-E37 HydrophobicContact CD-CB 4.42Å; K34-E37 HydrophobicContact CD-CG 4.31Å; K34-E37 IonicContact NZ-OE1 2.91Å; K34-E37 PolarHBondContact NZ-OE1 3.44Å
38	P	91	Very high	91.1	Very high	21 Å²	21	85.8 Å²	85.8	14%	0.136	45%	0.448	C	S	.	.			trans	-67.2	151	178.4	30.7	-38.4	0	0	0	111	Q40 C96 V97	P38-Q40 PolarHBondContact O-N 3.07Å; P38-C96 HydrophobicContact CG-CB 3.97Å; P38-V97 WeakPolarHBondContact CG-O 3.41Å
39	E	87.8	Confident	92	Very high	201 Å²	201	79.6 Å²	79.6	94%	0.939	41%	0.414	S	S	*	.	S	Bend	trans	-60.2	-30.7	178.1	-66.9	-173	170.5	0	0	112.9
40	Q	85.4	Confident	92.4	Very high	156 Å²	156	76 Å²	76	73%	0.729	40%	0.395	S	S	*	.			trans	-128.3	126.3	178	-65.2	-174.5	2.1	0	0	110.4	P38	P38-Q40 PolarHBondContact O-N 3.07Å
41	C	87.3	Confident	92.7	Very high	62 Å²	62	74.3 Å²	74.3	42%	0.419	39%	0.386	S	S	.	.			trans	-103.1	86.2	168.9	-175.1	0	0	0	0	109.5	R43 C96	C41-R43 PolarHBondContact O-N 3.5Å; C41-C96 HydrophobicContact CB-CB 3.73Å; C41-C96 WeakPolarHBondContact CB-SG 3.4Å; C41-C96 WeakPolarHBondContact SG-CB 3.33Å; C41-C96 CovalentContact SG-SG 2.02Å; C41-C96 PolarHBondContact SG-SG 3.29Å
42	V	78.8	Confident	92.8	Very high	131 Å²	131	71.2 Å²	71.2	79%	0.794	37%	0.369	S	S	*	.	S	Bend	trans	-62.1	-36.3	179.1	-178.6	0	0	0	0	110.7
43	R	86.5	Confident	92.9	Very high	68 Å²	68	68.7 Å²	68.7	26%	0.257	35%	0.353	S	S	.	.			trans	-147.4	131.3	175.5	178.4	170.7	178.8	161	2.7	110.8	C41 D49 V135 N137 D140	C41-R43 PolarHBondContact O-N 3.5Å; R43-D49 IonicContact CZ-OD1 3.57Å; R43-D49 IonicContact CZ-OD2 2.64Å; R43-D49 IonicContact NE-OD2 2.83Å; R43-D49 IonicContact NH2-OD1 3.32Å; R43-D49 PolarHBondContact NH2-OD1 3.12Å; R43-D49 IonicContact NH2-OD2 3.43Å; R43-V135 HydrophobicContact CB-CG1 4.26Å; R43-V135 HydrophobicContact CG-CG1 3.97Å; R43-N137 VanDerWaalsContact NH2-CB 3.34Å; R43-D140 IonicContact CZ-OD1 3.95Å; R43-D140 IonicContact CZ-OD2 2.84Å; R43-D140 IonicContact NH1-OD1 2.73Å; R43-D140 PolarHBondContact NH1-OD1 2.97Å; R43-D140 VanDerWaalsContact NH1-OD1 3.1Å; R43-D140 IonicContact NH1-OD2 3.6Å; R43-D140 PolarHBondContact NH1-OD2 3.07Å; R43-D140 IonicContact NH2-OD1 2.95Å; R43-D140 IonicContact NH2-OD2 3.92Å; R43-D140 PolarHBondContact NH2-OD2 2.92Å
44	A	93.8	Very high	93	Very high	36 Å²	36	66.7 Å²	66.7	30%	0.298	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-97.6	144.3	167.5	0	0	0	0	0	110.1	K46 M95	A44-K46 PolarHBondContact O-N 3.17Å; A44-M95 WeakPolarHBondContact CA-O 3.44Å
45	V	97.3	Very high	93.2	Very high	3 Å²	3	63 Å²	63	2%	0.018	33%	0.328	C	S	.	.			trans	-60.7	132.9	-179.6	173.8	0	0	0	0	111.5	V51 V79 L92 G94 M95 L132 V135	V45-V51 HydrophobicContact CB-CG1 4.45Å; V45-V51 HydrophobicContact CG1-CG1 3.86Å; V45-V51 HydrophobicContact CG2-CG1 3.66Å; V45-V79 HydrophobicContact CG1-CB 4.17Å; V45-V79 HydrophobicContact CG1-CG1 4.18Å; V45-V79 HydrophobicContact CG1-CG2 3.83Å; V45-L92 VanDerWaalsContact CB-O 3.22Å; V45-L92 WeakPolarHBondContact CB-O 3.45Å; V45-L92 WeakPolarHBondContact CG1-O 3.37Å; V45-G94 PolarHBondContact O-N 3.08Å; V45-M95 WeakPolarHBondContact CG2-O 3.36Å; V45-M95 PolarHBondContact N-O 2.71Å; V45-L132 HydrophobicContact CG2-CD1 4.47Å; V45-L132 HydrophobicContact CG2-CD2 3.43Å; V45-L132 VanDerWaalsContact CG2-CD2 3.43Å; V45-V135 HydrophobicContact CB-CG2 4.49Å; V45-V135 HydrophobicContact CG2-CB 4.28Å; V45-V135 HydrophobicContact CG2-CG2 3.86Å
46	K	96.7	Very high	93.3	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.617	32%	0.315	S	S	*	.			trans	-116.6	161.7	172.3	-64.1	174.9	-174.5	170.8	0	111.1	A44 G48 D49	A44-K46 PolarHBondContact O-N 3.17Å; K46-G48 PolarHBondContact O-N 2.86Å; K46-D49 PolarHBondContact N-OD2 2.66Å; K46-D49 VanDerWaalsContact O-CB 3.32Å; K46-D49 WeakPolarHBondContact O-CB 3.49Å; K46-D49 PolarHBondContact O-N 2.81Å
47	V	95.4	Very high	93.5	Very high	103 Å²	103	56.3 Å²	56.3	62%	0.624	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	129.5	171.3	175.6	0	0	0	0	109.2	V93	V47-V93 HydrophobicContact CG2-CG2 4.17Å
48	G	94.8	Very high	93.7	Very high	20 Å²	20	52.3 Å²	52.3	21%	0.206	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-12.4	-176.3	0	0	0	0	0	114.7	K46 F78 V79 N137	K46-G48 PolarHBondContact O-N 2.86Å; G48-F78 WeakPolarHBondContact O-CD1 3.42Å; G48-V79 PolarHBondContact N-O 2.87Å; G48-N137 PolarHBondContact O-ND2 2.81Å
49	D	97.4	Very high	94	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.275	C	S	.	.			trans	-70.3	145	173.6	-70.7	-17.5	0	0	0	111	R43 K46 F78 V79 V135 W136 N137	R43-D49 IonicContact CZ-OD1 3.57Å; R43-D49 IonicContact CZ-OD2 2.64Å; R43-D49 IonicContact NE-OD2 2.83Å; R43-D49 IonicContact NH2-OD1 3.32Å; R43-D49 PolarHBondContact NH2-OD1 3.12Å; R43-D49 IonicContact NH2-OD2 3.43Å; K46-D49 PolarHBondContact N-OD2 2.66Å; K46-D49 VanDerWaalsContact O-CB 3.32Å; K46-D49 WeakPolarHBondContact O-CB 3.49Å; K46-D49 PolarHBondContact O-N 2.81Å; D49-F78 CarbonylContact O-C 3.58Å; D49-F78 WeakPolarHBondContact O-CA 3.43Å; D49-V79 PolarHBondContact O-N 2.98Å; D49-V135 HydrophobicContact CB-CG2 3.82Å; D49-W136 CarbonylContact C-O 3.46Å; D49-N137 PolarHBondContact OD1-ND2 3.47Å
50	F	96.9	Very high	94.4	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.066	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.1	163.3	-173.4	-87.5	0	0	0	109	N76 V77 F78 V135 W136 Q235	F50-N76 HydrophobicContact CE1-CB 4.33Å; F50-N76 HydrophobicContact CE2-CB 4.41Å; F50-N76 HydrophobicContact CZ-CB 3.71Å; F50-V77 WeakPolarHBondContact CA-O 3.5Å; F50-F78 HydrophobicContact CB-CD1 3.99Å; F50-F78 HydrophobicContact CB-CE1 3.75Å; F50-F78 HydrophobicContact CB-CZ 4.23Å; F50-F78 HydrophobicContact CD2-CD1 4.41Å; F50-F78 HydrophobicContact CD2-CD2 4.1Å; F50-F78 HydrophobicContact CD2-CE1 4.18Å; F50-F78 AromaticContact CD2-CE2 3.84Å; F50-F78 HydrophobicContact CD2-CE2 3.84Å; F50-F78 HydrophobicContact CD2-CG 4.38Å; F50-F78 AromaticContact CD2-CZ 3.89Å; F50-F78 HydrophobicContact CD2-CZ 3.89Å; F50-F78 HydrophobicContact CG-CE1 4.49Å; F50-V135 VanDerWaalsContact O-CA 3.32Å; F50-V135 WeakPolarHBondContact O-CA 3.38Å; F50-W136 HydrophobicContact CB-CD2 3.93Å; F50-W136 HydrophobicContact CB-CE3 4.31Å; F50-W136 HydrophobicContact CB-CG 4.48Å; F50-W136 HydrophobicContact CB-CH2 4.08Å; F50-W136 HydrophobicContact CB-CZ2 3.7Å; F50-W136 HydrophobicContact CB-CZ3 4.38Å; F50-W136 HydrophobicContact CD1-CD2 4.42Å; F50-W136 AromaticContact CD1-CE2 3.42Å; F50-W136 VanDerWaalsContact CD1-CE2 3.42Å; F50-W136 AromaticContact CD1-CZ2 3.55Å; F50-W136 HydrophobicContact CD1-CZ2 3.55Å; F50-W136 AromaticContact CD1-NE1 3.21Å; F50-W136 HydrophobicContact CD2-CH2 4.39Å; F50-W136 AromaticContact CD2-CZ2 3.9Å; F50-W136 HydrophobicContact CD2-CZ2 3.9Å; F50-W136 HydrophobicContact CE1-CZ2 4.03Å; F50-W136 AromaticContact CE1-NE1 3.79Å; F50-W136 HydrophobicContact CE2-CZ2 4.35Å; F50-W136 HydrophobicContact CG-CD2 4.42Å; F50-W136 AromaticContact CG-CE2 3.62Å; F50-W136 HydrophobicContact CG-CH2 4.15Å; F50-W136 AromaticContact CG-CZ2 3.44Å; F50-W136 HydrophobicContact CG-CZ2 3.44Å; F50-W136 VanDerWaalsContact CG-CZ2 3.44Å; F50-W136 AromaticContact CG-NE1 3.9Å; F50-W136 HydrophobicContact CZ-CZ2 4.37Å; F50-W136 PolarHBondContact N-O 2.88Å; F50-W136 PolarHBondContact O-N 3.27Å; F50-Q235 HydrophobicContact CE1-CB 3.66Å; F50-Q235 HydrophobicContact CE1-CG 4.26Å; F50-Q235 HydrophobicContact CZ-CB 3.76Å; F50-Q235 HydrophobicContact CZ-CG 3.83Å
51	V	97.1	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.2	176.6	-64.1	0	0	0	0	111.4	V45 Y53 N76 V77 V79 L92 L132 D134 V135	V45-V51 HydrophobicContact CB-CG1 4.45Å; V45-V51 HydrophobicContact CG1-CG1 3.86Å; V45-V51 HydrophobicContact CG2-CG1 3.66Å; V51-Y53 HydrophobicContact CG2-CD1 3.86Å; V51-Y53 HydrophobicContact CG2-CE1 4.05Å; V51-N76 WeakPolarHBondContact O-CA 3.39Å; V51-V77 HydrophobicContact CG2-CG1 3.9Å; V51-V77 PolarHBondContact N-O 3.18Å; V51-V77 PolarHBondContact O-N 2.81Å; V51-V77 VanDerWaalsContact O-N 3.16Å; V51-V79 HydrophobicContact CB-CG2 4.29Å; V51-V79 HydrophobicContact CG1-CG2 3.72Å; V51-V79 HydrophobicContact CG2-CG2 3.56Å; V51-L92 HydrophobicContact CG2-CD1 4.22Å; V51-L132 HydrophobicContact CB-CD1 3.85Å; V51-L132 HydrophobicContact CG1-CD1 4.07Å; V51-D134 WeakPolarHBondContact CA-O 3.36Å; V51-V135 HydrophobicContact CG1-CB 4.47Å; V51-V135 HydrophobicContact CG1-CG2 4.19Å
52	R	96.4	Very high	95.1	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.5	167.4	-174.3	177.8	70.1	-174.5	1.6	108.6	T74 Y75 N76 L133 D134 P233	R52-T74 WeakPolarHBondContact CD-OG1 3.44Å; R52-T74 VanDerWaalsContact CG-CB 3.47Å; R52-T74 HydrophobicContact CG-CG2 3.73Å; R52-T74 VanDerWaalsContact CG-OG1 3.28Å; R52-T74 WeakPolarHBondContact CG-OG1 3.38Å; R52-Y75 WeakPolarHBondContact CA-O 3.11Å; R52-N76 WeakPolarHBondContact CG-OD1 3.19Å; R52-L133 WeakPolarHBondContact O-CA 3.43Å; R52-L133 WeakPolarHBondContact O-CB 3.21Å; R52-L133 PolarHBondContact O-N 3.37Å; R52-D134 HydrophobicContact CB-CB 3.68Å; R52-D134 PolarHBondContact N-O 3.01Å; R52-D134 IonicContact NH2-OD2 3.8Å; R52-D134 PolarHBondContact O-N 3.07Å; R52-D134 VanDerWaalsContact O-N 3.09Å; R52-P233 VanDerWaalsContact NH1-CB 3.35Å
53	Y	96.9	Very high	95.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.5	-179.5	66.5	-86.5	0	0	0	112.4	V51 Y55 Y75 V77 L92 V130 L131	V51-Y53 HydrophobicContact CG2-CD1 3.86Å; V51-Y53 HydrophobicContact CG2-CE1 4.05Å; Y53-Y55 HydrophobicContact CD2-CD1 4.19Å; Y53-Y55 AromaticContact CE2-CD1 3.67Å; Y53-Y55 HydrophobicContact CE2-CD1 3.67Å; Y53-Y55 HydrophobicContact CE2-CE1 4.49Å; Y53-Y55 HydrophobicContact CE2-CG 4.26Å; Y53-Y75 AromaticContact CE1-CD1 3.81Å; Y53-Y75 HydrophobicContact CE1-CD1 3.81Å; Y53-Y75 HydrophobicContact CE1-CG 4.4Å; Y53-Y75 AromaticContact CZ-CD1 3.71Å; Y53-Y75 PolarHBondContact N-O 2.92Å; Y53-Y75 PolarHBondContact O-N 3.09Å; Y53-Y75 WeakPolarHBondContact OH-CD1 3.18Å; Y53-V77 HydrophobicContact CE1-CG1 4.09Å; Y53-L92 HydrophobicContact CD1-CD1 4.48Å; Y53-L92 HydrophobicContact CD1-CD2 4.22Å; Y53-L92 HydrophobicContact CE1-CD1 3.86Å; Y53-L92 HydrophobicContact CE1-CD2 4.28Å; Y53-L92 HydrophobicContact CG-CD2 4.43Å; Y53-V130 HydrophobicContact CD2-CG1 3.73Å; Y53-V130 HydrophobicContact CE2-CG1 4.36Å; Y53-V130 HydrophobicContact CG-CG1 4.23Å; Y53-L131 CarbonylContact C-O 3.55Å; Y53-L131 VanDerWaalsContact CA-O 3.25Å; Y53-L131 WeakPolarHBondContact CA-O 3.29Å; Y53-L131 VanDerWaalsContact CB-O 3.23Å; Y53-L131 WeakPolarHBondContact CB-O 3.45Å
54	H	97.7	Very high	96.4	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.157	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.3	163.7	-85.2	-53.6	0	0	0	110.3	S68 Y69 V130 L131	H54-S68 VanDerWaalsContact CA-OG 3.31Å; H54-S68 WeakPolarHBondContact CA-OG 3.18Å; H54-S68 PolarHBondContact ND1-OG 3.27Å; H54-Y69 HydrophobicContact CB-CE1 4Å; H54-Y69 HydrophobicContact CB-CE2 3.72Å; H54-Y69 VanDerWaalsContact CB-CZ 3.42Å; H54-Y69 WeakPolarHBondContact CB-OH 3.27Å; H54-Y69 AromaticContact CD2-CE1 3.66Å; H54-Y69 AromaticContact CD2-CZ 3.99Å; H54-Y69 AromaticContact CG-CE1 3.66Å; H54-Y69 AromaticContact CG-CZ 3.64Å; H54-V130 CarbonylContact O-C 3.57Å; H54-V130 WeakPolarHBondContact O-CA 3.3Å; H54-L131 HydrophobicContact CB-CB 4.47Å; H54-L131 PolarHBondContact N-O 3.41Å; H54-L131 PolarHBondContact O-N 2.99Å
55	Y	97.7	Very high	96.5	Very high	16 Å²	16	46.7 Å²	46.7	6%	0.063	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.6	169.4	73.2	-86.8	0	0	0	113.6	Y53 D66 S68 R71 Y75 F128 D129	Y53-Y55 HydrophobicContact CD2-CD1 4.19Å; Y53-Y55 AromaticContact CE2-CD1 3.67Å; Y53-Y55 HydrophobicContact CE2-CD1 3.67Å; Y53-Y55 HydrophobicContact CE2-CE1 4.49Å; Y53-Y55 HydrophobicContact CE2-CG 4.26Å; Y55-D66 HydrophobicContact CE2-CB 4.29Å; Y55-D66 PolarHBondContact OH-OD2 3.34Å; Y55-S68 PolarHBondContact N-OG 3.11Å; Y55-S68 PolarHBondContact O-N 3.44Å; Y55-S68 PolarHBondContact O-OG 3.5Å; Y55-R71 VanDerWaalsContact CE1-NH2 3.35Å; Y55-R71 PolarHBondContact OH-NH1 2.88Å; Y55-R71 VanDerWaalsContact OH-NH1 3.15Å; Y55-R71 PolarHBondContact OH-NH2 3.15Å; Y55-Y75 HydrophobicContact CE1-CD2 4.08Å; Y55-Y75 HydrophobicContact CE1-CG 4.22Å; Y55-F128 AromaticContact CD2-CD1 3.69Å; Y55-F128 HydrophobicContact CD2-CD1 3.69Å; Y55-F128 AromaticContact CD2-CE1 3.95Å; Y55-F128 HydrophobicContact CD2-CE1 3.95Å; Y55-F128 HydrophobicContact CE2-CD1 4.25Å; Y55-F128 HydrophobicContact CE2-CE1 4.02Å; Y55-F128 HydrophobicContact CG-CD1 4.36Å; Y55-D129 CarbonylContact C-O 3.4Å; Y55-D129 WeakPolarHBondContact CA-O 3.19Å
56	I	98.1	Very high	96.4	Very high	48 Å²	48	49.2 Å²	49.2	25%	0.246	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.1	163.8	-56.6	173.6	0	0	0	108.2	T58 K64 Y69 F128 D129	I56-T58 HydrophobicContact CG2-CG2 4.11Å; I56-K64 HydrophobicContact CG2-CD 3.96Å; I56-K64 HydrophobicContact CG2-CG 4.17Å; I56-Y69 HydrophobicContact CD1-CD2 4.08Å; I56-Y69 HydrophobicContact CD1-CE2 4.12Å; I56-Y69 HydrophobicContact CG1-CD2 3.69Å; I56-Y69 HydrophobicContact CG1-CE2 3.85Å; I56-F128 WeakPolarHBondContact O-CA 3.45Å; I56-D129 HydrophobicContact CB-CB 4.48Å; I56-D129 PolarHBondContact N-O 3.1Å; I56-D129 PolarHBondContact O-N 2.91Å
57	G	97.8	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.6	177.7	0	0	0	0	0	111.9	K64 F65 D66 H127	G57-K64 WeakPolarHBondContact O-CA 3.31Å; G57-F65 VanDerWaalsContact C-CE1 3.41Å; G57-F65 PolarHBondContact O-N 2.8Å; G57-D66 PolarHBondContact N-O 2.76Å; G57-D66 PolarHBondContact O-N 2.85Å; G57-H127 CarbonylContact C-O 3.59Å; G57-H127 WeakPolarHBondContact CA-O 3.38Å
58	T	98	Very high	96.5	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.3	180	58.5	0	0	0	0	112	I56 K63 K64 F65 H127	I56-T58 HydrophobicContact CG2-CG2 4.11Å; T58-K63 CarbonylContact C-O 3.51Å; T58-K63 VanDerWaalsContact CA-O 3.31Å; T58-K63 WeakPolarHBondContact CA-O 3.49Å; T58-K64 HydrophobicContact CG2-CB 4.24Å; T58-F65 VanDerWaalsContact C-CE1 3.46Å; T58-F65 VanDerWaalsContact N-CE1 3.34Å; T58-F65 WeakPolarHBondContact O-CE1 3.32Å; T58-H127 PolarHBondContact N-O 3.25Å; T58-H127 WeakPolarHBondContact O-CB 3.44Å; T58-H127 PolarHBondContact O-N 3.4Å
59	F	97.1	Very high	96.5	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.114	21%	0.213	C	C	.	.			trans	-80	168.2	165.8	-64	-67.6	0	0	0	110.9	D61 G62 K63 F65 I119 I120 A124 L126	F59-D61 VanDerWaalsContact CB-OD1 3.3Å; F59-D61 WeakPolarHBondContact CB-OD1 3.45Å; F59-D61 PolarHBondContact O-N 2.98Å; F59-D61 VanDerWaalsContact O-N 3.11Å; F59-G62 WeakPolarHBondContact O-CA 3.33Å; F59-G62 PolarHBondContact O-N 2.98Å; F59-K63 HydrophobicContact CD2-CB 4.13Å; F59-K63 HydrophobicContact CD2-CD 4.46Å; F59-K63 HydrophobicContact CD2-CG 4.4Å; F59-K63 WeakPolarHBondContact CD2-O 3.2Å; F59-K63 PolarHBondContact N-O 3.12Å; F59-F65 HydrophobicContact CD1-CD1 4.26Å; F59-F65 HydrophobicContact CD2-CD1 4.07Å; F59-F65 HydrophobicContact CE1-CD1 4.05Å; F59-F65 HydrophobicContact CE2-CB 3.81Å; F59-F65 AromaticContact CE2-CD1 3.86Å; F59-F65 HydrophobicContact CE2-CD1 3.86Å; F59-F65 HydrophobicContact CE2-CG 4.27Å; F59-F65 HydrophobicContact CG-CD1 4.27Å; F59-F65 HydrophobicContact CZ-CB 4.08Å; F59-F65 AromaticContact CZ-CD1 3.85Å; F59-F65 HydrophobicContact CZ-CD1 3.85Å; F59-F65 HydrophobicContact CZ-CG 4.25Å; F59-I119 WeakPolarHBondContact CZ-O 3.04Å; F59-I120 HydrophobicContact CE1-CD1 4.21Å; F59-I120 HydrophobicContact CZ-CD1 3.97Å; F59-A124 HydrophobicContact CE1-CB 4.18Å; F59-L126 HydrophobicContact CD1-CD2 4.23Å; F59-L126 HydrophobicContact CE1-CD2 3.95Å
60	P	95	Very high	96.4	Very high	81 Å²	81	46 Å²	46	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.5	177.5	-26.6	36	0	0	0	114.9	G62 I125	P60-G62 PolarHBondContact O-N 3.17Å; P60-I125 WeakPolarHBondContact CD-O 3.46Å; P60-I125 HydrophobicContact CG-CB 4.08Å; P60-I125 HydrophobicContact CG-CG2 4.22Å
61	D	93.3	Very high	96.3	Very high	125 Å²	125	50.4 Å²	50.4	67%	0.668	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.3	173.9	68.7	0.6	0	0	0	113.6	F59 K63	F59-D61 VanDerWaalsContact CB-OD1 3.3Å; F59-D61 WeakPolarHBondContact CB-OD1 3.45Å; F59-D61 PolarHBondContact O-N 2.98Å; F59-D61 VanDerWaalsContact O-N 3.11Å; D61-K63 WeakPolarHBondContact OD1-CB 3.38Å; D61-K63 PolarHBondContact OD1-N 2.82Å
62	G	93.8	Very high	95.9	Very high	51 Å²	51	53.8 Å²	53.8	53%	0.526	29%	0.29	S	S	.	.			trans	86.5	-2.9	-179.1	0	0	0	0	0	114.8	F59 P60 K64	F59-G62 WeakPolarHBondContact O-CA 3.33Å; F59-G62 PolarHBondContact O-N 2.98Å; P60-G62 PolarHBondContact O-N 3.17Å; G62-K64 PolarHBondContact O-N 2.88Å
63	K	96.3	Very high	95.7	Very high	138 Å²	138	56.5 Å²	56.5	60%	0.6	31%	0.31	S	S	*	.			trans	-67.5	119.1	178.4	-177.6	-177.2	178.1	-172.3	0	110.2	T58 F59 D61	T58-K63 CarbonylContact C-O 3.51Å; T58-K63 VanDerWaalsContact CA-O 3.31Å; T58-K63 WeakPolarHBondContact CA-O 3.49Å; F59-K63 HydrophobicContact CD2-CB 4.13Å; F59-K63 HydrophobicContact CD2-CD 4.46Å; F59-K63 HydrophobicContact CD2-CG 4.4Å; F59-K63 WeakPolarHBondContact CD2-O 3.2Å; F59-K63 PolarHBondContact N-O 3.12Å; D61-K63 WeakPolarHBondContact OD1-CB 3.38Å; D61-K63 PolarHBondContact OD1-N 2.82Å
64	K	97.5	Very high	95.5	Very high	100 Å²	100	58 Å²	58	44%	0.435	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.7	175.6	-173.9	175.9	65.6	170.2	0	111	I56 G57 T58 G62 D70	I56-K64 HydrophobicContact CG2-CD 3.96Å; I56-K64 HydrophobicContact CG2-CG 4.17Å; G57-K64 WeakPolarHBondContact O-CA 3.31Å; T58-K64 HydrophobicContact CG2-CB 4.24Å; G62-K64 PolarHBondContact O-N 2.88Å; K64-D70 VanDerWaalsContact CE-OD2 3.24Å; K64-D70 WeakPolarHBondContact CE-OD2 3.28Å; K64-D70 IonicContact NZ-OD1 2.66Å; K64-D70 PolarHBondContact NZ-OD1 3.21Å; K64-D70 IonicContact NZ-OD2 3.89Å; K64-D70 PolarHBondContact NZ-OD2 3.09Å
65	F	96.1	Very high	95.4	Very high	36 Å²	36	60 Å²	60	16%	0.158	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-26.2	173.1	61.4	-104.9	0	0	0	113	G57 T58 F59 I119 I120 L126 F128	G57-F65 VanDerWaalsContact C-CE1 3.41Å; G57-F65 PolarHBondContact O-N 2.8Å; T58-F65 VanDerWaalsContact C-CE1 3.46Å; T58-F65 VanDerWaalsContact N-CE1 3.34Å; T58-F65 WeakPolarHBondContact O-CE1 3.32Å; F59-F65 HydrophobicContact CD1-CD1 4.26Å; F59-F65 HydrophobicContact CD2-CD1 4.07Å; F59-F65 HydrophobicContact CE1-CD1 4.05Å; F59-F65 HydrophobicContact CE2-CB 3.81Å; F59-F65 AromaticContact CE2-CD1 3.86Å; F59-F65 HydrophobicContact CE2-CD1 3.86Å; F59-F65 HydrophobicContact CE2-CG 4.27Å; F59-F65 HydrophobicContact CG-CD1 4.27Å; F59-F65 HydrophobicContact CZ-CB 4.08Å; F59-F65 AromaticContact CZ-CD1 3.85Å; F59-F65 HydrophobicContact CZ-CD1 3.85Å; F59-F65 HydrophobicContact CZ-CG 4.25Å; F65-I119 HydrophobicContact CB-CG2 3.92Å; F65-I120 HydrophobicContact CB-CD1 4.11Å; F65-I120 HydrophobicContact CD1-CD1 4.01Å; F65-I120 HydrophobicContact CD2-CD1 3.55Å; F65-I120 HydrophobicContact CE1-CD1 4.31Å; F65-I120 HydrophobicContact CE2-CD1 3.92Å; F65-I120 HydrophobicContact CG-CD1 3.63Å; F65-I120 HydrophobicContact CZ-CD1 4.29Å; F65-L126 HydrophobicContact CE1-CB 4.38Å; F65-L126 HydrophobicContact CE1-CD2 3.8Å; F65-L126 HydrophobicContact CZ-CB 4.25Å; F65-L126 HydrophobicContact CZ-CD1 4.25Å; F65-L126 HydrophobicContact CZ-CD2 4.04Å; F65-L126 HydrophobicContact CZ-CG 4.42Å; F65-F128 HydrophobicContact CE2-CE1 4.06Å; F65-F128 HydrophobicContact CE2-CZ 4Å; F65-F128 AromaticContact CZ-CE1 3.94Å; F65-F128 HydrophobicContact CZ-CE1 3.94Å; F65-F128 HydrophobicContact CZ-CE2 4.28Å; F65-F128 AromaticContact CZ-CZ 3.69Å; F65-F128 HydrophobicContact CZ-CZ 3.69Å
66	D	95.4	Very high	95.3	Very high	56 Å²	56	62.5 Å²	62.5	30%	0.299	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	154.8	178	-168.3	24.2	0	0	0	111.9	Y55 G57 R71	Y55-D66 HydrophobicContact CE2-CB 4.29Å; Y55-D66 PolarHBondContact OH-OD2 3.34Å; G57-D66 PolarHBondContact N-O 2.76Å; G57-D66 PolarHBondContact O-N 2.85Å; D66-R71 IonicContact OD1-CZ 2.74Å; D66-R71 IonicContact OD1-NH1 2.94Å; D66-R71 PolarHBondContact OD1-NH1 2.86Å; D66-R71 IonicContact OD2-NH1 3.87Å; D66-R71 PolarHBondContact OD2-NH1 3.24Å
67	S	96.8	Very high	95.2	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	131.5	179.8	162.2	0	0	0	0	111.2	Y69 D70	S67-Y69 VanDerWaalsContact C-N 3.28Å; S67-Y69 PolarHBondContact O-N 3.48Å; S67-Y69 WeakPolarHBondContact OG-CB 3.26Å; S67-Y69 PolarHBondContact OG-N 3.39Å; S67-Y69 VanDerWaalsContact OG-N 3.15Å; S67-D70 VanDerWaalsContact CB-CG 3.46Å; S67-D70 WeakPolarHBondContact CB-OD1 3.35Å; S67-D70 PolarHBondContact O-N 2.88Å; S67-D70 PolarHBondContact OG-N 3.28Å; S67-D70 PolarHBondContact OG-OD1 2.79Å; S67-D70 VanDerWaalsContact OG-OD1 3.08Å
68	S	96.8	Very high	95.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33	171.2	62.2	0	0	0	0	112.5	H54 Y55 D70 R71 G72 S73	H54-S68 VanDerWaalsContact CA-OG 3.31Å; H54-S68 WeakPolarHBondContact CA-OG 3.18Å; H54-S68 PolarHBondContact ND1-OG 3.27Å; Y55-S68 PolarHBondContact N-OG 3.11Å; Y55-S68 PolarHBondContact O-N 3.44Å; Y55-S68 PolarHBondContact O-OG 3.5Å; S68-D70 VanDerWaalsContact C-N 3.31Å; S68-D70 PolarHBondContact O-N 3.03Å; S68-R71 PolarHBondContact O-N 3.05Å; S68-G72 PolarHBondContact O-N 2.82Å; S68-S73 CarbonylContact C-O 3.53Å; S68-S73 WeakPolarHBondContact CB-O 3.37Å; S68-S73 PolarHBondContact O-N 2.86Å
69	Y	95.3	Very high	95.1	Very high	96 Å²	96	61.3 Å²	61.3	38%	0.376	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-37	177.3	-62	-82.1	0	0	0	111.8	H54 I56 S67 R71 G72	H54-Y69 HydrophobicContact CB-CE1 4Å; H54-Y69 HydrophobicContact CB-CE2 3.72Å; H54-Y69 VanDerWaalsContact CB-CZ 3.42Å; H54-Y69 WeakPolarHBondContact CB-OH 3.27Å; H54-Y69 AromaticContact CD2-CE1 3.66Å; H54-Y69 AromaticContact CD2-CZ 3.99Å; H54-Y69 AromaticContact CG-CE1 3.66Å; H54-Y69 AromaticContact CG-CZ 3.64Å; I56-Y69 HydrophobicContact CD1-CD2 4.08Å; I56-Y69 HydrophobicContact CD1-CE2 4.12Å; I56-Y69 HydrophobicContact CG1-CD2 3.69Å; I56-Y69 HydrophobicContact CG1-CE2 3.85Å; S67-Y69 VanDerWaalsContact C-N 3.28Å; S67-Y69 PolarHBondContact O-N 3.48Å; S67-Y69 WeakPolarHBondContact OG-CB 3.26Å; S67-Y69 PolarHBondContact OG-N 3.39Å; S67-Y69 VanDerWaalsContact OG-N 3.15Å; Y69-R71 PolarHBondContact O-N 2.61Å; Y69-G72 PolarHBondContact O-N 3.28Å
70	D	95.2	Very high	94.8	Very high	104 Å²	104	61.8 Å²	61.8	56%	0.556	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.3	178.9	-62.7	7.7	0	0	0	111.4	K64 S67 S68	K64-D70 VanDerWaalsContact CE-OD2 3.24Å; K64-D70 WeakPolarHBondContact CE-OD2 3.28Å; K64-D70 IonicContact NZ-OD1 2.66Å; K64-D70 PolarHBondContact NZ-OD1 3.21Å; K64-D70 IonicContact NZ-OD2 3.89Å; K64-D70 PolarHBondContact NZ-OD2 3.09Å; S67-D70 VanDerWaalsContact CB-CG 3.46Å; S67-D70 WeakPolarHBondContact CB-OD1 3.35Å; S67-D70 PolarHBondContact O-N 2.88Å; S67-D70 PolarHBondContact OG-N 3.28Å; S67-D70 PolarHBondContact OG-OD1 2.79Å; S67-D70 VanDerWaalsContact OG-OD1 3.08Å; S68-D70 VanDerWaalsContact C-N 3.31Å; S68-D70 PolarHBondContact O-N 3.03Å
71	R	93.7	Very high	94.7	Very high	107 Å²	107	63.2 Å²	63.2	40%	0.404	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.2	175.2	-63.1	-171.2	-64.3	-102.5	4.3	113.5	Y55 D66 S68 Y69 S73	Y55-R71 VanDerWaalsContact CE1-NH2 3.35Å; Y55-R71 PolarHBondContact OH-NH1 2.88Å; Y55-R71 VanDerWaalsContact OH-NH1 3.15Å; Y55-R71 PolarHBondContact OH-NH2 3.15Å; D66-R71 IonicContact OD1-CZ 2.74Å; D66-R71 IonicContact OD1-NH1 2.94Å; D66-R71 PolarHBondContact OD1-NH1 2.86Å; D66-R71 IonicContact OD2-NH1 3.87Å; D66-R71 PolarHBondContact OD2-NH1 3.24Å; S68-R71 PolarHBondContact O-N 3.05Å; Y69-R71 PolarHBondContact O-N 2.61Å; R71-S73 PolarHBondContact O-N 2.88Å; R71-S73 VanDerWaalsContact O-N 3.16Å; R71-S73 PolarHBondContact O-OG 3.09Å
72	G	89.9	Confident	94.6	Very high	71 Å²	71	65.5 Å²	65.5	73%	0.732	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	20	-176.7	0	0	0	0	0	114.2	S68 Y69	S68-G72 PolarHBondContact O-N 2.82Å; Y69-G72 PolarHBondContact O-N 3.28Å
73	S	91.1	Very high	94.5	Very high	62 Å²	62	68.3 Å²	68.3	43%	0.434	35%	0.345	S	S	.	.	S	Bend	trans	-147.1	149.5	-177.4	49.3	0	0	0	0	111.6	S68 R71	S68-S73 CarbonylContact C-O 3.53Å; S68-S73 WeakPolarHBondContact CB-O 3.37Å; S68-S73 PolarHBondContact O-N 2.86Å; R71-S73 PolarHBondContact O-N 2.88Å; R71-S73 VanDerWaalsContact O-N 3.16Å; R71-S73 PolarHBondContact O-OG 3.09Å
74	T	93.8	Very high	94.4	Very high	35 Å²	35	62.9 Å²	62.9	22%	0.215	32%	0.323	C	S	.	.			trans	-72.2	160.8	177.8	54.2	0	0	0	0	111.2	R52 N76 L133	R52-T74 WeakPolarHBondContact CD-OG1 3.44Å; R52-T74 VanDerWaalsContact CG-CB 3.47Å; R52-T74 HydrophobicContact CG-CG2 3.73Å; R52-T74 VanDerWaalsContact CG-OG1 3.28Å; R52-T74 WeakPolarHBondContact CG-OG1 3.38Å; T74-N76 WeakPolarHBondContact CB-OD1 3.24Å; T74-N76 PolarHBondContact OG1-OD1 3.37Å; T74-L133 HydrophobicContact CG2-CD1 3.58Å
75	Y	95.1	Very high	94.2	Very high	78 Å²	78	59.5 Å²	59.5	31%	0.306	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.3	165.4	-157.6	-88	0	0	0	109.7	R52 Y53 Y55 V77 L84	R52-Y75 WeakPolarHBondContact CA-O 3.11Å; Y53-Y75 AromaticContact CE1-CD1 3.81Å; Y53-Y75 HydrophobicContact CE1-CD1 3.81Å; Y53-Y75 HydrophobicContact CE1-CG 4.4Å; Y53-Y75 AromaticContact CZ-CD1 3.71Å; Y53-Y75 PolarHBondContact N-O 2.92Å; Y53-Y75 PolarHBondContact O-N 3.09Å; Y53-Y75 WeakPolarHBondContact OH-CD1 3.18Å; Y55-Y75 HydrophobicContact CE1-CD2 4.08Å; Y55-Y75 HydrophobicContact CE1-CG 4.22Å; Y75-V77 HydrophobicContact CD1-CB 4.2Å; Y75-V77 HydrophobicContact CD1-CG1 4.06Å; Y75-V77 HydrophobicContact CE1-CB 3.86Å; Y75-V77 HydrophobicContact CE1-CG1 4.01Å; Y75-V77 HydrophobicContact CE1-CG2 4.33Å; Y75-L84 HydrophobicContact CD1-CD2 4.11Å; Y75-L84 HydrophobicContact CE1-CD2 3.33Å
76	N	95.1	Very high	94.2	Very high	68 Å²	68	61.8 Å²	61.8	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118	-167.7	-63.6	5.6	0	0	0	108.9	F50 V51 R52 T74	F50-N76 HydrophobicContact CE1-CB 4.33Å; F50-N76 HydrophobicContact CE2-CB 4.41Å; F50-N76 HydrophobicContact CZ-CB 3.71Å; V51-N76 WeakPolarHBondContact O-CA 3.39Å; R52-N76 WeakPolarHBondContact CG-OD1 3.19Å; T74-N76 WeakPolarHBondContact CB-OD1 3.24Å; T74-N76 PolarHBondContact OG1-OD1 3.37Å
77	V	95.9	Very high	94.2	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	157.5	-170.5	69.5	0	0	0	0	112.6	F50 V51 Y53 Y75 Q83 L84	F50-V77 WeakPolarHBondContact CA-O 3.5Å; V51-V77 HydrophobicContact CG2-CG1 3.9Å; V51-V77 PolarHBondContact N-O 3.18Å; V51-V77 PolarHBondContact O-N 2.81Å; V51-V77 VanDerWaalsContact O-N 3.16Å; Y53-V77 HydrophobicContact CE1-CG1 4.09Å; Y75-V77 HydrophobicContact CD1-CB 4.2Å; Y75-V77 HydrophobicContact CD1-CG1 4.06Å; Y75-V77 HydrophobicContact CE1-CB 3.86Å; Y75-V77 HydrophobicContact CE1-CG1 4.01Å; Y75-V77 HydrophobicContact CE1-CG2 4.33Å; V77-Q83 HydrophobicContact CG2-CB 3.6Å; V77-Q83 HydrophobicContact CG2-CG 4.44Å; V77-Q83 VanDerWaalsContact CG2-OE1 3.28Å; V77-L84 HydrophobicContact CG1-CD1 3.82Å; V77-L84 HydrophobicContact CG1-CD2 4.25Å; V77-L84 HydrophobicContact CG1-CG 4.13Å; V77-L84 HydrophobicContact CG2-CD2 4.47Å; V77-L84 HydrophobicContact CG2-CG 4.19Å
78	F	96.5	Very high	94.2	Very high	44 Å²	44	59.3 Å²	59.3	19%	0.193	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.4	168.3	-75.2	-79.9	0	0	0	110.9	G48 D49 F50 K81 W136 P138	G48-F78 WeakPolarHBondContact O-CD1 3.42Å; D49-F78 CarbonylContact O-C 3.58Å; D49-F78 WeakPolarHBondContact O-CA 3.43Å; F50-F78 HydrophobicContact CB-CD1 3.99Å; F50-F78 HydrophobicContact CB-CE1 3.75Å; F50-F78 HydrophobicContact CB-CZ 4.23Å; F50-F78 HydrophobicContact CD2-CD1 4.41Å; F50-F78 HydrophobicContact CD2-CD2 4.1Å; F50-F78 HydrophobicContact CD2-CE1 4.18Å; F50-F78 AromaticContact CD2-CE2 3.84Å; F50-F78 HydrophobicContact CD2-CE2 3.84Å; F50-F78 HydrophobicContact CD2-CG 4.38Å; F50-F78 AromaticContact CD2-CZ 3.89Å; F50-F78 HydrophobicContact CD2-CZ 3.89Å; F50-F78 HydrophobicContact CG-CE1 4.49Å; F78-K81 HydrophobicContact CB-CB 4.34Å; F78-K81 HydrophobicContact CB-CD 3.52Å; F78-K81 HydrophobicContact CB-CG 3.84Å; F78-K81 HydrophobicContact CD2-CD 4.45Å; F78-K81 HydrophobicContact CG-CD 4.03Å; F78-W136 HydrophobicContact CZ-CH2 4.46Å; F78-P138 HydrophobicContact CE1-CG 3.99Å; F78-P138 HydrophobicContact CZ-CG 4.25Å
79	V	96.7	Very high	94.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	133.3	-178.2	179.1	0	0	0	0	110.9	V45 G48 D49 V51 K81 D89 L92 V93	V45-V79 HydrophobicContact CG1-CB 4.17Å; V45-V79 HydrophobicContact CG1-CG1 4.18Å; V45-V79 HydrophobicContact CG1-CG2 3.83Å; G48-V79 PolarHBondContact N-O 2.87Å; D49-V79 PolarHBondContact O-N 2.98Å; V51-V79 HydrophobicContact CB-CG2 4.29Å; V51-V79 HydrophobicContact CG1-CG2 3.72Å; V51-V79 HydrophobicContact CG2-CG2 3.56Å; V79-K81 VanDerWaalsContact C-N 3.32Å; V79-K81 PolarHBondContact O-N 2.94Å; V79-D89 WeakPolarHBondContact CG1-O 2.82Å; V79-L92 HydrophobicContact CG1-CB 4.32Å; V79-L92 HydrophobicContact CG2-CB 4.1Å; V79-L92 HydrophobicContact CG2-CD1 4.1Å; V79-V93 HydrophobicContact CG1-CG2 3.66Å
80	G	92.6	Very high	94.1	Very high	36 Å²	36	60.3 Å²	60.3	37%	0.371	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	12.1	176.3	0	0	0	0	0	114.5	K82 D89	G80-K82 VanDerWaalsContact C-N 3.34Å; G80-D89 PolarHBondContact N-OD1 3.13Å
81	K	92.8	Very high	94.1	Very high	112 Å²	112	55.6 Å²	55.6	49%	0.487	29%	0.291	S	S	.	.	S	Bend	trans	-91.1	9.8	169.8	-66	-164.2	-172.7	164.6	0	113.3	F78 V79 Q83	F78-K81 HydrophobicContact CB-CB 4.34Å; F78-K81 HydrophobicContact CB-CD 3.52Å; F78-K81 HydrophobicContact CB-CG 3.84Å; F78-K81 HydrophobicContact CD2-CD 4.45Å; F78-K81 HydrophobicContact CG-CD 4.03Å; V79-K81 VanDerWaalsContact C-N 3.32Å; V79-K81 PolarHBondContact O-N 2.94Å; K81-Q83 HydrophobicContact CB-CG 4.14Å; K81-Q83 PolarHBondContact O-N 3.18Å
82	K	90.4	Very high	94.2	Very high	172 Å²	172	50.5 Å²	50.5	75%	0.748	27%	0.272	S	S	*	.	S	Bend	trans	58.1	36.2	-178.5	-55.1	-174.3	176.8	-172.6	0	113.2	G80 D89	G80-K82 VanDerWaalsContact C-N 3.34Å; K82-D89 WeakPolarHBondContact CA-OD2 3.5Å; K82-D89 PolarHBondContact N-OD2 3.42Å; K82-D89 VanDerWaalsContact N-OD2 3.08Å
83	Q	91.4	Very high	94.6	Very high	111 Å²	111	50.1 Å²	50.1	52%	0.519	26%	0.256	S	S	.	.			trans	-93.8	-14.9	175	-65	-178.3	-46.2	0	0	111.9	V77 K81	V77-Q83 HydrophobicContact CG2-CB 3.6Å; V77-Q83 HydrophobicContact CG2-CG 4.44Å; V77-Q83 VanDerWaalsContact CG2-OE1 3.28Å; K81-Q83 HydrophobicContact CB-CG 4.14Å; K81-Q83 PolarHBondContact O-N 3.18Å
84	L	93.4	Very high	94.8	Very high	24 Å²	24	49 Å²	49	13%	0.126	25%	0.253	C	S	.	.	S	Bend	trans	-108.3	170.3	175.8	-64.9	175.6	0	0	0	110.2	Y75 V77 M88 D89 L92	Y75-L84 HydrophobicContact CD1-CD2 4.11Å; Y75-L84 HydrophobicContact CE1-CD2 3.33Å; V77-L84 HydrophobicContact CG1-CD1 3.82Å; V77-L84 HydrophobicContact CG1-CD2 4.25Å; V77-L84 HydrophobicContact CG1-CG 4.13Å; V77-L84 HydrophobicContact CG2-CD2 4.47Å; V77-L84 HydrophobicContact CG2-CG 4.19Å; L84-M88 HydrophobicContact CB-CB 4.31Å; L84-M88 HydrophobicContact CD1-CB 4.33Å; L84-M88 HydrophobicContact CD1-CG 3.83Å; L84-D89 HydrophobicContact CB-CB 4.39Å; L84-L92 HydrophobicContact CD1-CD1 3.47Å; L84-L92 VanDerWaalsContact CD1-CD1 3.47Å
85	I	94.9	Very high	94.9	Very high	28 Å²	28	47.4 Å²	47.4	14%	0.144	24%	0.244	C	C	.	.			trans	-59.7	140.8	161	58.4	174.8	0	0	0	109.6	G87 M88 D89 I105 A110 Y111 L126 F128	I85-G87 PolarHBondContact O-N 2.87Å; I85-G87 VanDerWaalsContact O-N 3.07Å; I85-M88 HydrophobicContact CD1-CB 4.38Å; I85-M88 HydrophobicContact CG1-CB 3.71Å; I85-M88 PolarHBondContact O-N 3.3Å; I85-D89 PolarHBondContact O-N 3.09Å; I85-D89 VanDerWaalsContact O-N 3.08Å; I85-I105 HydrophobicContact CD1-CD1 3.68Å; I85-I105 HydrophobicContact CG1-CD1 4.38Å; I85-A110 HydrophobicContact CD1-CB 4.15Å; I85-Y111 HydrophobicContact CG2-CD1 4.48Å; I85-Y111 HydrophobicContact CG2-CE1 4.02Å; I85-Y111 HydrophobicContact CG2-CE2 4.31Å; I85-L126 HydrophobicContact CD1-CD1 4.37Å; I85-F128 HydrophobicContact CD1-CE2 3.88Å; I85-F128 HydrophobicContact CD1-CZ 4.2Å
86	D	94.9	Very high	94.9	Very high	84 Å²	84	44 Å²	44	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-52.5	-37.4	-173.1	-75.3	-7.7	0	0	0	112.9	K90 L109	D86-K90 WeakPolarHBondContact O-CG 3.4Å; D86-K90 PolarHBondContact O-N 3.41Å; D86-L109 HydrophobicContact CB-CD2 4.24Å; D86-L109 PolarHBondContact N-O 3.42Å
87	G	95.2	Very high	94.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-36.2	178.3	0	0	0	0	0	113.7	I85 A91 L109	I85-G87 PolarHBondContact O-N 2.87Å; I85-G87 VanDerWaalsContact O-N 3.07Å; G87-A91 VanDerWaalsContact O-CB 3.24Å; G87-A91 WeakPolarHBondContact O-CB 3.01Å; G87-A91 PolarHBondContact O-N 3.13Å; G87-L109 PolarHBondContact N-O 3.23Å
88	M	96.7	Very high	94.8	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-75.7	-40.7	177.1	-174.6	66.3	78.6	0	0	110.8	L84 I85 K90 A91 L92 I105 F128 V130	L84-M88 HydrophobicContact CB-CB 4.31Å; L84-M88 HydrophobicContact CD1-CB 4.33Å; L84-M88 HydrophobicContact CD1-CG 3.83Å; I85-M88 HydrophobicContact CD1-CB 4.38Å; I85-M88 HydrophobicContact CG1-CB 3.71Å; I85-M88 PolarHBondContact O-N 3.3Å; M88-K90 PolarHBondContact O-N 3.49Å; M88-A91 PolarHBondContact O-N 3.02Å; M88-A91 VanDerWaalsContact O-N 3.1Å; M88-L92 HydrophobicContact CG-CD1 4.02Å; M88-L92 HydrophobicContact CG-CG 4.28Å; M88-L92 WeakPolarHBondContact O-CG 3.36Å; M88-L92 PolarHBondContact O-N 3.1Å; M88-L92 HydrophobicContact SD-CD1 4.47Å; M88-L92 HydrophobicContact SD-CD2 4.46Å; M88-L92 HydrophobicContact SD-CG 4.19Å; M88-I105 HydrophobicContact CB-CD1 4.2Å; M88-F128 HydrophobicContact CE-CB 3.55Å; M88-F128 HydrophobicContact CE-CD1 3.57Å; M88-F128 HydrophobicContact CE-CD2 3.7Å; M88-F128 HydrophobicContact CE-CE1 4.14Å; M88-F128 HydrophobicContact CE-CE2 4.25Å; M88-F128 HydrophobicContact CE-CG 3.31Å; M88-F128 HydrophobicContact CE-CZ 4.44Å; M88-V130 HydrophobicContact CE-CG2 3.96Å; M88-V130 HydrophobicContact SD-CG2 4.08Å
89	D	94.8	Very high	94.8	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-56.6	-40.1	174.7	-115.9	0.9	0	0	0	111	V79 G80 K82 L84 I85	V79-D89 WeakPolarHBondContact CG1-O 2.82Å; G80-D89 PolarHBondContact N-OD1 3.13Å; K82-D89 WeakPolarHBondContact CA-OD2 3.5Å; K82-D89 PolarHBondContact N-OD2 3.42Å; K82-D89 VanDerWaalsContact N-OD2 3.08Å; L84-D89 HydrophobicContact CB-CB 4.39Å; I85-D89 PolarHBondContact O-N 3.09Å; I85-D89 VanDerWaalsContact O-N 3.08Å
90	K	95.1	Very high	94.8	Very high	105 Å²	105	46.9 Å²	46.9	46%	0.457	24%	0.242	S	C	.	.	H	α-helix	trans	-70.7	-41.9	173.2	-73.4	176.4	177.8	-175.6	0	113.2	D29 I30 D86 M88 L92 V93	D29-K90 IonicContact OD1-NZ 3.14Å; I30-K90 HydrophobicContact CD1-CB 3.62Å; D86-K90 WeakPolarHBondContact O-CG 3.4Å; D86-K90 PolarHBondContact O-N 3.41Å; M88-K90 PolarHBondContact O-N 3.49Å; K90-L92 PolarHBondContact O-N 2.98Å; K90-V93 PolarHBondContact O-N 2.87Å
91	A	95.8	Very high	95.1	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-31.8	-173.3	0	0	0	0	0	113.6	I30 V32 G87 M88 V93 V103	I30-A91 HydrophobicContact CD1-CB 3.98Å; V32-A91 HydrophobicContact CG2-CB 3.93Å; G87-A91 VanDerWaalsContact O-CB 3.24Å; G87-A91 WeakPolarHBondContact O-CB 3.01Å; G87-A91 PolarHBondContact O-N 3.13Å; M88-A91 PolarHBondContact O-N 3.02Å; M88-A91 VanDerWaalsContact O-N 3.1Å; A91-V93 VanDerWaalsContact C-N 3.31Å; A91-V93 PolarHBondContact O-N 3.49Å; A91-V103 HydrophobicContact CB-CB 4.24Å; A91-V103 HydrophobicContact CB-CG1 3.35Å; A91-V103 HydrophobicContact CB-CG2 3.83Å
92	L	97	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-28.3	178.3	-69.9	167.7	0	0	0	112.4	V45 V51 Y53 V79 L84 M88 K90 G94 M95 V130	V45-L92 VanDerWaalsContact CB-O 3.22Å; V45-L92 WeakPolarHBondContact CB-O 3.45Å; V45-L92 WeakPolarHBondContact CG1-O 3.37Å; V51-L92 HydrophobicContact CG2-CD1 4.22Å; Y53-L92 HydrophobicContact CD1-CD1 4.48Å; Y53-L92 HydrophobicContact CD1-CD2 4.22Å; Y53-L92 HydrophobicContact CE1-CD1 3.86Å; Y53-L92 HydrophobicContact CE1-CD2 4.28Å; Y53-L92 HydrophobicContact CG-CD2 4.43Å; V79-L92 HydrophobicContact CG1-CB 4.32Å; V79-L92 HydrophobicContact CG2-CB 4.1Å; V79-L92 HydrophobicContact CG2-CD1 4.1Å; L84-L92 HydrophobicContact CD1-CD1 3.47Å; L84-L92 VanDerWaalsContact CD1-CD1 3.47Å; M88-L92 HydrophobicContact CG-CD1 4.02Å; M88-L92 HydrophobicContact CG-CG 4.28Å; M88-L92 WeakPolarHBondContact O-CG 3.36Å; M88-L92 PolarHBondContact O-N 3.1Å; M88-L92 HydrophobicContact SD-CD1 4.47Å; M88-L92 HydrophobicContact SD-CD2 4.46Å; M88-L92 HydrophobicContact SD-CG 4.19Å; K90-L92 PolarHBondContact O-N 2.98Å; L92-G94 PolarHBondContact O-N 3.48Å; L92-M95 HydrophobicContact CD2-SD 3.92Å; L92-M95 WeakPolarHBondContact O-CB 3.4Å; L92-M95 PolarHBondContact O-N 2.98Å; L92-M95 VanDerWaalsContact O-N 3.13Å; L92-V130 HydrophobicContact CD2-CG1 4.08Å
93	V	96.6	Very high	95.6	Very high	64 Å²	64	33.6 Å²	33.6	39%	0.388	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	125.9	179.7	177.6	0	0	0	0	109.9	V47 V79 K90 A91	V47-V93 HydrophobicContact CG2-CG2 4.17Å; V79-V93 HydrophobicContact CG1-CG2 3.66Å; K90-V93 PolarHBondContact O-N 2.87Å; A91-V93 VanDerWaalsContact C-N 3.31Å; A91-V93 PolarHBondContact O-N 3.49Å
94	G	95.3	Very high	95.9	Very high	37 Å²	37	30.4 Å²	30.4	38%	0.381	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-6.9	-178	0	0	0	0	0	115	V45 L92	V45-G94 PolarHBondContact O-N 3.08Å; L92-G94 PolarHBondContact O-N 3.48Å
95	M	96.4	Very high	96.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-67.1	144.8	172	-69.3	-170.6	67.8	0	0	110.9	A44 V45 L92 E99 V130 L132	A44-M95 WeakPolarHBondContact CA-O 3.44Å; V45-M95 WeakPolarHBondContact CG2-O 3.36Å; V45-M95 PolarHBondContact N-O 2.71Å; L92-M95 HydrophobicContact CD2-SD 3.92Å; L92-M95 WeakPolarHBondContact O-CB 3.4Å; L92-M95 PolarHBondContact O-N 2.98Å; L92-M95 VanDerWaalsContact O-N 3.13Å; M95-E99 HydrophobicContact CE-CB 4.47Å; M95-E99 HydrophobicContact CE-CG 4.49Å; M95-V130 HydrophobicContact CE-CB 4.32Å; M95-V130 HydrophobicContact CE-CG1 3.95Å; M95-V130 HydrophobicContact SD-CG1 4.16Å; M95-L132 HydrophobicContact CB-CD2 3.88Å; M95-L132 HydrophobicContact CE-CB 4.26Å
96	C	95.7	Very high	96.1	Very high	6 Å²	6	28 Å²	28	4%	0.041	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-101	151.3	176	-59.1	0	0	0	0	111.4	P38 C41 N98 E99 L132	P38-C96 HydrophobicContact CG-CB 3.97Å; C41-C96 HydrophobicContact CB-CB 3.73Å; C41-C96 WeakPolarHBondContact CB-SG 3.4Å; C41-C96 WeakPolarHBondContact SG-CB 3.33Å; C41-C96 CovalentContact SG-SG 2.02Å; C41-C96 PolarHBondContact SG-SG 3.29Å; C96-N98 PolarHBondContact O-N 2.99Å; C96-E99 HydrophobicContact CB-CB 4.28Å; C96-E99 PolarHBondContact N-OE2 3.44Å; C96-E99 WeakPolarHBondContact O-CB 3.49Å; C96-E99 PolarHBondContact O-N 3.35Å; C96-L132 WeakPolarHBondContact O-CD2 3.34Å
97	V	95.5	Very high	96.2	Very high	20 Å²	20	25.1 Å²	25.1	12%	0.121	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	139.9	174.9	177.3	0	0	0	0	110	P38 E99 L132 L133 V135 L172 D173	P38-V97 WeakPolarHBondContact CG-O 3.41Å; V97-E99 PolarHBondContact O-N 3.02Å; V97-L132 HydrophobicContact CG2-CD2 4.49Å; V97-L133 WeakPolarHBondContact CG1-O 3.27Å; V97-V135 HydrophobicContact CG2-CB 4.26Å; V97-V135 HydrophobicContact CG2-CG1 3.47Å; V97-V135 VanDerWaalsContact CG2-CG1 3.47Å; V97-L172 HydrophobicContact CB-CG 4.47Å; V97-L172 HydrophobicContact CG1-CB 4.35Å; V97-L172 HydrophobicContact CG1-CG 4.13Å; V97-L172 HydrophobicContact CG2-CD2 3.77Å; V97-L172 HydrophobicContact CG2-CG 4.1Å; V97-D173 HydrophobicContact CG1-CB 4.04Å
98	N	94.1	Very high	96.2	Very high	65 Å²	65	30.6 Å²	30.6	35%	0.348	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	7	-171.1	-157.6	25.6	0	0	0	114.5	F36 C96 L132	F36-N98 WeakPolarHBondContact CD1-O 3.05Å; F36-N98 WeakPolarHBondContact CE1-O 3.37Å; C96-N98 PolarHBondContact O-N 2.99Å; N98-L132 WeakPolarHBondContact CA-O 3.41Å; N98-L132 PolarHBondContact N-O 3.48Å
99	E	95.7	Very high	96.1	Very high	2 Å²	2	31 Å²	31	1%	0.009	16%	0.161	C	C	.	.			trans	-73.6	139.6	168.5	-170.2	-175.3	121.8	0	0	110.6	K34 F36 M95 C96 V97 S101 L131 L132	K34-E99 HydrophobicContact CD-CG 4.43Å; K34-E99 WeakPolarHBondContact CE-OE1 3.26Å; K34-E99 WeakPolarHBondContact CE-OE2 3.38Å; K34-E99 IonicContact NZ-OE1 2.74Å; K34-E99 IonicContact NZ-OE2 2.65Å; K34-E99 PolarHBondContact NZ-OE2 2.88Å; F36-E99 VanDerWaalsContact O-CG 3.29Å; F36-E99 WeakPolarHBondContact O-CG 3.35Å; M95-E99 HydrophobicContact CE-CB 4.47Å; M95-E99 HydrophobicContact CE-CG 4.49Å; C96-E99 HydrophobicContact CB-CB 4.28Å; C96-E99 PolarHBondContact N-OE2 3.44Å; C96-E99 WeakPolarHBondContact O-CB 3.49Å; C96-E99 PolarHBondContact O-N 3.35Å; V97-E99 PolarHBondContact O-N 3.02Å; E99-S101 PolarHBondContact OE1-OG 3.22Å; E99-L131 WeakPolarHBondContact O-CA 3.38Å; E99-L132 PolarHBondContact O-N 3.27Å; E99-L132 VanDerWaalsContact O-N 3.09Å
100	R	97.1	Very high	96.1	Very high	94 Å²	94	31.3 Å²	31.3	36%	0.355	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123	170.3	-163.4	177.8	179.9	166.7	-0.8	110.7	T35 F36 D129 V130 L131	T35-R100 WeakPolarHBondContact CA-O 3.32Å; T35-R100 PolarHBondContact N-O 3.11Å; T35-R100 VanDerWaalsContact OG1-C 3.32Å; T35-R100 PolarHBondContact OG1-O 3.01Å; F36-R100 HydrophobicContact CB-CB 3.97Å; F36-R100 PolarHBondContact N-O 3.08Å; F36-R100 PolarHBondContact O-N 3.38Å; R100-D129 WeakPolarHBondContact CG-OD1 3.39Å; R100-D129 IonicContact CZ-OD1 2.77Å; R100-D129 IonicContact CZ-OD2 3.24Å; R100-D129 IonicContact NE-OD1 2.99Å; R100-D129 PolarHBondContact NE-OD1 3.02Å; R100-D129 IonicContact NE-OD2 3.63Å; R100-D129 PolarHBondContact NE-OD2 3.39Å; R100-D129 IonicContact NH2-OD1 3.62Å; R100-D129 IonicContact NH2-OD2 3.33Å; R100-D129 PolarHBondContact NH2-OD2 2.92Å; R100-V130 CarbonylContact C-O 3.59Å; R100-V130 WeakPolarHBondContact CA-O 3.43Å; R100-L131 HydrophobicContact CB-CD1 4.33Å; R100-L131 HydrophobicContact CG-CB 4.49Å
101	S	97.4	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.9	-174.2	-72.8	0	0	0	0	111.8	E33 E99 V130	E33-S101 CarbonylContact O-C 3.58Å; E33-S101 WeakPolarHBondContact O-CA 3.49Å; E99-S101 PolarHBondContact OE1-OG 3.22Å; S101-V130 PolarHBondContact N-O 2.92Å; S101-V130 PolarHBondContact O-N 2.83Å
102	L	97.6	Very high	96.1	Very high	40 Å²	40	30.7 Å²	30.7	21%	0.209	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.3	170	179.3	66	0	0	0	108.8	E33 T35 H127 F128	E33-L102 HydrophobicContact CB-CB 4.32Å; E33-L102 PolarHBondContact N-O 2.97Å; E33-L102 PolarHBondContact O-N 2.93Å; T35-L102 HydrophobicContact CG2-CB 3.99Å; L102-H127 HydrophobicContact CD1-CB 4.28Å; L102-F128 CarbonylContact C-O 3.59Å; L102-F128 WeakPolarHBondContact CA-O 3.25Å
103	V	97.1	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119	-178.4	-174.8	0	0	0	0	109.4	L31 V32 A91 I105 H127 F128 V130	L31-V103 CarbonylContact O-C 3.55Å; L31-V103 WeakPolarHBondContact O-CA 3.42Å; V32-V103 HydrophobicContact CG1-CG2 4.47Å; V32-V103 HydrophobicContact CG2-CG1 4.42Å; V32-V103 HydrophobicContact CG2-CG2 4.48Å; A91-V103 HydrophobicContact CB-CB 4.24Å; A91-V103 HydrophobicContact CB-CG1 3.35Å; A91-V103 HydrophobicContact CB-CG2 3.83Å; V103-I105 HydrophobicContact CG1-CD1 4.01Å; V103-I105 HydrophobicContact CG1-CG1 3.68Å; V103-H127 CarbonylContact O-C 3.51Å; V103-H127 WeakPolarHBondContact O-CA 3.29Å; V103-F128 HydrophobicContact CB-CB 4.33Å; V103-F128 PolarHBondContact N-O 2.86Å; V103-F128 PolarHBondContact O-N 2.91Å; V103-V130 HydrophobicContact CG2-CG2 4.16Å
104	K	97.2	Very high	95.8	Very high	44 Å²	44	42.8 Å²	42.8	19%	0.191	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.6	173.6	-50.3	-178.2	-174.2	146.4	0	108.7	L27 I30 L31 E33 L126	L27-K104 HydrophobicContact CD2-CB 3.96Å; I30-K104 WeakPolarHBondContact CA-O 3.47Å; L31-K104 HydrophobicContact CB-CB 4.29Å; L31-K104 HydrophobicContact CD2-CD 4.25Å; L31-K104 PolarHBondContact N-O 2.82Å; L31-K104 PolarHBondContact O-N 3.37Å; E33-K104 IonicContact OE1-NZ 2.75Å; E33-K104 PolarHBondContact OE1-NZ 2.83Å; E33-K104 IonicContact OE2-NZ 2.67Å; E33-K104 PolarHBondContact OE2-NZ 2.68Å; K104-L126 CarbonylContact C-O 3.54Å; K104-L126 WeakPolarHBondContact CA-O 3.5Å
105	I	97.2	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.1	-171.9	-54.6	178.9	0	0	0	109.3	I30 I85 M88 V103 L109 A110 L126 F128	I30-I105 HydrophobicContact CG2-CG1 4.3Å; I30-I105 HydrophobicContact CG2-CG2 4.37Å; I85-I105 HydrophobicContact CD1-CD1 3.68Å; I85-I105 HydrophobicContact CG1-CD1 4.38Å; M88-I105 HydrophobicContact CB-CD1 4.2Å; V103-I105 HydrophobicContact CG1-CD1 4.01Å; V103-I105 HydrophobicContact CG1-CG1 3.68Å; I105-L109 HydrophobicContact CG2-CB 3.86Å; I105-A110 HydrophobicContact CG2-CB 3.89Å; I105-L126 PolarHBondContact N-O 3.39Å; I105-L126 PolarHBondContact O-N 3.04Å; I105-F128 HydrophobicContact CD1-CD2 3.71Å; I105-F128 HydrophobicContact CD1-CE2 3.86Å; I105-F128 HydrophobicContact CG1-CD2 4.38Å
106	P	96.4	Very high	95.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	23%	0.229	C	C	.	.			trans	-73.2	159	176.1	31.4	-35	0	0	0	111.7	L27 H108 L109 A110	L27-P106 HydrophobicContact CB-CB 4.23Å; L27-P106 HydrophobicContact CD2-CB 4.26Å; L27-P106 HydrophobicContact CD2-CG 4.44Å; L27-P106 HydrophobicContact CG-CB 4.22Å; L27-P106 HydrophobicContact CG-CG 4.36Å; L27-P106 WeakPolarHBondContact O-CB 3.38Å; P106-H108 VanDerWaalsContact C-N 3.28Å; P106-H108 VanDerWaalsContact CG-CE1 3.46Å; P106-H108 WeakPolarHBondContact CG-CE1 3.5Å; P106-H108 PolarHBondContact O-N 3.07Å; P106-H108 VanDerWaalsContact O-N 3.13Å; P106-L109 HydrophobicContact CG-CB 4.38Å; P106-L109 HydrophobicContact CG-CD1 4.05Å; P106-L109 HydrophobicContact CG-CG 4.26Å; P106-L109 PolarHBondContact O-N 3.06Å; P106-A110 PolarHBondContact O-N 2.74Å
107	P	96.1	Very high	95.5	Very high	25 Å²	25	51.1 Å²	51.1	16%	0.162	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.6	-37.8	-168.9	-22.1	30.2	0	0	0	113.6	L109 A110 Y111 G112 D123 A124 I125	P107-L109 PolarHBondContact O-N 3.04Å; P107-A110 CarbonylContact O-C 3.58Å; P107-A110 WeakPolarHBondContact O-CA 3.48Å; P107-A110 PolarHBondContact O-N 3.31Å; P107-Y111 PolarHBondContact O-N 3.08Å; P107-G112 VanDerWaalsContact O-CA 3.23Å; P107-G112 WeakPolarHBondContact O-CA 3.25Å; P107-G112 PolarHBondContact O-N 3.34Å; P107-D123 HydrophobicContact CG-CB 4.41Å; P107-D123 WeakPolarHBondContact CG-O 3.19Å; P107-A124 WeakPolarHBondContact CG-O 3.45Å; P107-I125 HydrophobicContact CG-CG1 4.42Å
108	H	94.9	Very high	95.3	Very high	115 Å²	115	58.7 Å²	58.7	53%	0.532	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-69.2	-14.4	-178.4	72.5	-86.5	0	0	0	114.3	D28 P106	D28-H108 PolarHBondContact O-CE1 3.35Å; D28-H108 VanDerWaalsContact O-CE1 3.23Å; D28-H108 PolarHBondContact O-NE2 3.03Å; P106-H108 VanDerWaalsContact C-N 3.28Å; P106-H108 VanDerWaalsContact CG-CE1 3.46Å; P106-H108 WeakPolarHBondContact CG-CE1 3.5Å; P106-H108 PolarHBondContact O-N 3.07Å; P106-H108 VanDerWaalsContact O-N 3.13Å
109	L	95.8	Very high	95.3	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.068	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-105.4	4.5	170.6	-61.8	178.1	0	0	0	112.3	I30 D86 G87 I105 P106 P107	I30-L109 HydrophobicContact CG2-CD1 3.76Å; D86-L109 HydrophobicContact CB-CD2 4.24Å; D86-L109 PolarHBondContact N-O 3.42Å; G87-L109 PolarHBondContact N-O 3.23Å; I105-L109 HydrophobicContact CG2-CB 3.86Å; P106-L109 HydrophobicContact CG-CB 4.38Å; P106-L109 HydrophobicContact CG-CD1 4.05Å; P106-L109 HydrophobicContact CG-CG 4.26Å; P106-L109 PolarHBondContact O-N 3.06Å; P107-L109 PolarHBondContact O-N 3.04Å
110	A	95.1	Very high	95.3	Very high	21 Å²	21	60.5 Å²	60.5	17%	0.174	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-112.6	176.5	0	0	0	0	0	110.7	I85 I105 P106 P107 L126	I85-A110 HydrophobicContact CD1-CB 4.15Å; I105-A110 HydrophobicContact CG2-CB 3.89Å; P106-A110 PolarHBondContact O-N 2.74Å; P107-A110 CarbonylContact O-C 3.58Å; P107-A110 WeakPolarHBondContact O-CA 3.48Å; P107-A110 PolarHBondContact O-N 3.31Å; A110-L126 HydrophobicContact CB-CD1 3.81Å; A110-L126 HydrophobicContact CB-CG 4.26Å
111	Y	95.4	Very high	95.3	Very high	78 Å²	78	59.4 Å²	59.4	31%	0.306	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	4.3	-176.4	-59.1	-77.3	0	0	0	114.4	I85 P107 G115 Y116 I120 L126	I85-Y111 HydrophobicContact CG2-CD1 4.48Å; I85-Y111 HydrophobicContact CG2-CE1 4.02Å; I85-Y111 HydrophobicContact CG2-CE2 4.31Å; P107-Y111 PolarHBondContact O-N 3.08Å; Y111-G115 PolarHBondContact O-N 2.94Å; Y111-Y116 AromaticContact CD1-CD2 3.95Å; Y111-Y116 HydrophobicContact CD1-CD2 3.95Å; Y111-Y116 HydrophobicContact CD1-CG 4.02Å; Y111-Y116 AromaticContact CE1-CD2 3.73Å; Y111-Y116 HydrophobicContact CE1-CD2 3.73Å; Y111-Y116 HydrophobicContact CE1-CE2 4.49Å; Y111-Y116 AromaticContact CE1-CG 3.79Å; Y111-Y116 HydrophobicContact CE1-CG 3.79Å; Y111-I120 HydrophobicContact CD2-CB 4.2Å; Y111-I120 HydrophobicContact CD2-CG1 4.08Å; Y111-I120 HydrophobicContact CD2-CG2 3.81Å; Y111-I120 HydrophobicContact CE2-CG1 3.96Å; Y111-I120 HydrophobicContact CE2-CG2 4.47Å; Y111-L126 HydrophobicContact CD2-CD1 3.82Å; Y111-L126 HydrophobicContact CE2-CD1 3.74Å
112	G	93.8	Very high	95.2	Very high	17 Å²	17	63.2 Å²	63.2	18%	0.175	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	60.8	-153.8	172.6	0	0	0	0	0	115.1	P107 Q114 G115 D123	P107-G112 VanDerWaalsContact O-CA 3.23Å; P107-G112 WeakPolarHBondContact O-CA 3.25Å; P107-G112 PolarHBondContact O-N 3.34Å; G112-Q114 PolarHBondContact O-N 2.95Å; G112-G115 PolarHBondContact O-N 3.06Å; G112-D123 PolarHBondContact O-N 3.33Å
113	K	94.6	Very high	95.1	Very high	160 Å²	160	65.8 Å²	65.8	70%	0.696	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-68.4	-15.4	-179.2	-67.8	-178	177.3	-176	0	113.3	P122 D123	K113-P122 VanDerWaalsContact O-CB 3.28Å; K113-P122 WeakPolarHBondContact O-CB 3.34Å; K113-D123 WeakPolarHBondContact CG-OD1 3.39Å
114	Q	93.8	Very high	95	Very high	158 Å²	158	66.5 Å²	66.5	74%	0.738	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-87.9	-31	-177.1	-68.6	82.3	-6.1	0	0	111.7	G112	G112-Q114 PolarHBondContact O-N 2.95Å
115	G	92.8	Very high	94.9	Very high	13 Å²	13	66.9 Å²	66.9	13%	0.134	36%	0.363	C	S	.	.			trans	69.7	-166.2	-169.6	0	0	0	0	0	112	Y111 G112 I120	Y111-G115 PolarHBondContact O-N 2.94Å; G112-G115 PolarHBondContact O-N 3.06Å; G115-I120 CarbonylContact C-O 3.55Å; G115-I120 VanDerWaalsContact CA-O 3.29Å; G115-I120 WeakPolarHBondContact CA-O 3.47Å
116	Y	94.6	Very high	94.9	Very high	138 Å²	138	66.9 Å²	66.9	54%	0.541	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-139.1	107.5	179.9	-174.4	-97.2	0	0	0	111.7	Y111 I119 I120	Y111-Y116 AromaticContact CD1-CD2 3.95Å; Y111-Y116 HydrophobicContact CD1-CD2 3.95Å; Y111-Y116 HydrophobicContact CD1-CG 4.02Å; Y111-Y116 AromaticContact CE1-CD2 3.73Å; Y111-Y116 HydrophobicContact CE1-CD2 3.73Å; Y111-Y116 HydrophobicContact CE1-CE2 4.49Å; Y111-Y116 AromaticContact CE1-CG 3.79Å; Y111-Y116 HydrophobicContact CE1-CG 3.79Å; Y116-I119 PolarHBondContact O-N 3.04Å; Y116-I120 PolarHBondContact N-O 3.38Å; Y116-I120 PolarHBondContact O-N 3.42Å
117	G	92.6	Very high	95	Very high	70 Å²	70	68.5 Å²	68.5	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-142.6	-177.1	0	0	0	0	0	112	I119	G117-I119 VanDerWaalsContact C-N 3.33Å
118	D	92	Very high	95.1	Very high	178 Å²	178	67.9 Å²	67.9	95%	0.952	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.8	175.9	-59	-41.9	0	0	0	112.9
119	I	94.3	Very high	95.2	Very high	99 Å²	99	64.3 Å²	64.3	51%	0.508	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-47.4	-172.3	-58.4	175.1	0	0	0	110.4	F59 F65 Y116 G117	F59-I119 WeakPolarHBondContact CZ-O 3.04Å; F65-I119 HydrophobicContact CB-CG2 3.92Å; Y116-I119 PolarHBondContact O-N 3.04Å; G117-I119 VanDerWaalsContact C-N 3.33Å
120	I	96.1	Very high	95.3	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.036	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-110.3	114.5	-176.6	-50.6	-62.1	0	0	0	110	F59 F65 Y111 G115 Y116 A124 L126	F59-I120 HydrophobicContact CE1-CD1 4.21Å; F59-I120 HydrophobicContact CZ-CD1 3.97Å; F65-I120 HydrophobicContact CB-CD1 4.11Å; F65-I120 HydrophobicContact CD1-CD1 4.01Å; F65-I120 HydrophobicContact CD2-CD1 3.55Å; F65-I120 HydrophobicContact CE1-CD1 4.31Å; F65-I120 HydrophobicContact CE2-CD1 3.92Å; F65-I120 HydrophobicContact CG-CD1 3.63Å; F65-I120 HydrophobicContact CZ-CD1 4.29Å; Y111-I120 HydrophobicContact CD2-CB 4.2Å; Y111-I120 HydrophobicContact CD2-CG1 4.08Å; Y111-I120 HydrophobicContact CD2-CG2 3.81Å; Y111-I120 HydrophobicContact CE2-CG1 3.96Å; Y111-I120 HydrophobicContact CE2-CG2 4.47Å; G115-I120 CarbonylContact C-O 3.55Å; G115-I120 VanDerWaalsContact CA-O 3.29Å; G115-I120 WeakPolarHBondContact CA-O 3.47Å; Y116-I120 PolarHBondContact N-O 3.38Å; Y116-I120 PolarHBondContact O-N 3.42Å; I120-A124 HydrophobicContact CG2-CB 4Å; I120-L126 HydrophobicContact CD1-CD2 4.14Å; I120-L126 HydrophobicContact CG2-CD2 3.94Å
121	P	95.7	Very high	95.4	Very high	70 Å²	70	64.2 Å²	64.2	46%	0.455	35%	0.347	S	S	.	.			trans	-64.3	156.7	176.7	-22.2	33.6	0	0	0	113.5	A124	P121-A124 HydrophobicContact CB-CB 4.48Å; P121-A124 VanDerWaalsContact O-CB 3.26Å; P121-A124 WeakPolarHBondContact O-CB 3.06Å; P121-A124 PolarHBondContact O-N 2.84Å
122	P	95.9	Very high	95.5	Very high	81 Å²	81	60.5 Å²	60.5	53%	0.526	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	139.6	163.4	-33.6	40.4	0	0	0	113.3	K113 A124	K113-P122 VanDerWaalsContact O-CB 3.28Å; K113-P122 WeakPolarHBondContact O-CB 3.34Å; P122-A124 PolarHBondContact O-N 2.8Å; P122-A124 VanDerWaalsContact O-N 3.12Å
123	D	95.1	Very high	95.6	Very high	93 Å²	93	60.4 Å²	60.4	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	26.8	175.2	-64.8	-47.2	0	0	0	114.3	P107 G112 K113	P107-D123 HydrophobicContact CG-CB 4.41Å; P107-D123 WeakPolarHBondContact CG-O 3.19Å; G112-D123 PolarHBondContact O-N 3.33Å; K113-D123 WeakPolarHBondContact CG-OD1 3.39Å
124	A	95.1	Very high	95.7	Very high	16 Å²	16	52.8 Å²	52.8	13%	0.132	29%	0.294	C	S	.	.			trans	-77.6	131.9	178.5	0	0	0	0	0	112.8	F59 P107 I120 P121 P122 L126	F59-A124 HydrophobicContact CE1-CB 4.18Å; P107-A124 WeakPolarHBondContact CG-O 3.45Å; I120-A124 HydrophobicContact CG2-CB 4Å; P121-A124 HydrophobicContact CB-CB 4.48Å; P121-A124 VanDerWaalsContact O-CB 3.26Å; P121-A124 WeakPolarHBondContact O-CB 3.06Å; P121-A124 PolarHBondContact O-N 2.84Å; P122-A124 PolarHBondContact O-N 2.8Å; P122-A124 VanDerWaalsContact O-N 3.12Å; A124-L126 HydrophobicContact CB-CD2 4.26Å
125	I	95.6	Very high	95.8	Very high	51 Å²	51	45.5 Å²	45.5	26%	0.262	26%	0.26	S	S	.	.			trans	-79.2	135.1	164.7	-62.4	169.8	0	0	0	107.8	P60 P107	P60-I125 WeakPolarHBondContact CD-O 3.46Å; P60-I125 HydrophobicContact CG-CB 4.08Å; P60-I125 HydrophobicContact CG-CG2 4.22Å; P107-I125 HydrophobicContact CG-CG1 4.42Å
126	L	97.5	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137	-179.9	-53	-175.9	0	0	0	110.6	F59 F65 I85 K104 I105 A110 Y111 I120 A124 F128	F59-L126 HydrophobicContact CD1-CD2 4.23Å; F59-L126 HydrophobicContact CE1-CD2 3.95Å; F65-L126 HydrophobicContact CE1-CB 4.38Å; F65-L126 HydrophobicContact CE1-CD2 3.8Å; F65-L126 HydrophobicContact CZ-CB 4.25Å; F65-L126 HydrophobicContact CZ-CD1 4.25Å; F65-L126 HydrophobicContact CZ-CD2 4.04Å; F65-L126 HydrophobicContact CZ-CG 4.42Å; I85-L126 HydrophobicContact CD1-CD1 4.37Å; K104-L126 CarbonylContact C-O 3.54Å; K104-L126 WeakPolarHBondContact CA-O 3.5Å; I105-L126 PolarHBondContact N-O 3.39Å; I105-L126 PolarHBondContact O-N 3.04Å; A110-L126 HydrophobicContact CB-CD1 3.81Å; A110-L126 HydrophobicContact CB-CG 4.26Å; Y111-L126 HydrophobicContact CD2-CD1 3.82Å; Y111-L126 HydrophobicContact CE2-CD1 3.74Å; I120-L126 HydrophobicContact CD1-CD2 4.14Å; I120-L126 HydrophobicContact CG2-CD2 3.94Å; A124-L126 HydrophobicContact CB-CD2 4.26Å; L126-F128 HydrophobicContact CB-CD2 4.24Å; L126-F128 HydrophobicContact CB-CE2 3.64Å; L126-F128 HydrophobicContact CB-CZ 4.42Å; L126-F128 HydrophobicContact CD1-CE2 3.93Å; L126-F128 HydrophobicContact CD1-CZ 4.14Å; L126-F128 HydrophobicContact CG-CE2 4.47Å
127	H	97.9	Very high	96.1	Very high	35 Å²	35	40.8 Å²	40.8	16%	0.162	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.4	170	-64.4	176.6	0	0	0	109.1	G57 T58 L102 V103	G57-H127 CarbonylContact C-O 3.59Å; G57-H127 WeakPolarHBondContact CA-O 3.38Å; T58-H127 PolarHBondContact N-O 3.25Å; T58-H127 WeakPolarHBondContact O-CB 3.44Å; T58-H127 PolarHBondContact O-N 3.4Å; L102-H127 HydrophobicContact CD1-CB 4.28Å; V103-H127 CarbonylContact O-C 3.51Å; V103-H127 WeakPolarHBondContact O-CA 3.29Å
128	F	98.3	Very high	96.1	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.9	174.6	-69.9	-88.2	0	0	0	109.5	Y55 I56 F65 I85 M88 L102 V103 I105 L126 V130	Y55-F128 AromaticContact CD2-CD1 3.69Å; Y55-F128 HydrophobicContact CD2-CD1 3.69Å; Y55-F128 AromaticContact CD2-CE1 3.95Å; Y55-F128 HydrophobicContact CD2-CE1 3.95Å; Y55-F128 HydrophobicContact CE2-CD1 4.25Å; Y55-F128 HydrophobicContact CE2-CE1 4.02Å; Y55-F128 HydrophobicContact CG-CD1 4.36Å; I56-F128 WeakPolarHBondContact O-CA 3.45Å; F65-F128 HydrophobicContact CE2-CE1 4.06Å; F65-F128 HydrophobicContact CE2-CZ 4Å; F65-F128 AromaticContact CZ-CE1 3.94Å; F65-F128 HydrophobicContact CZ-CE1 3.94Å; F65-F128 HydrophobicContact CZ-CE2 4.28Å; F65-F128 AromaticContact CZ-CZ 3.69Å; F65-F128 HydrophobicContact CZ-CZ 3.69Å; I85-F128 HydrophobicContact CD1-CE2 3.88Å; I85-F128 HydrophobicContact CD1-CZ 4.2Å; M88-F128 HydrophobicContact CE-CB 3.55Å; M88-F128 HydrophobicContact CE-CD1 3.57Å; M88-F128 HydrophobicContact CE-CD2 3.7Å; M88-F128 HydrophobicContact CE-CE1 4.14Å; M88-F128 HydrophobicContact CE-CE2 4.25Å; M88-F128 HydrophobicContact CE-CG 3.31Å; M88-F128 HydrophobicContact CE-CZ 4.44Å; L102-F128 CarbonylContact C-O 3.59Å; L102-F128 WeakPolarHBondContact CA-O 3.25Å; V103-F128 HydrophobicContact CB-CB 4.33Å; V103-F128 PolarHBondContact N-O 2.86Å; V103-F128 PolarHBondContact O-N 2.91Å; I105-F128 HydrophobicContact CD1-CD2 3.71Å; I105-F128 HydrophobicContact CD1-CE2 3.86Å; I105-F128 HydrophobicContact CG1-CD2 4.38Å; L126-F128 HydrophobicContact CB-CD2 4.24Å; L126-F128 HydrophobicContact CB-CE2 3.64Å; L126-F128 HydrophobicContact CB-CZ 4.42Å; L126-F128 HydrophobicContact CD1-CE2 3.93Å; L126-F128 HydrophobicContact CD1-CZ 4.14Å; L126-F128 HydrophobicContact CG-CE2 4.47Å; F128-V130 HydrophobicContact CB-CG2 3.89Å
129	D	97.9	Very high	96.2	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.2	166	-178.7	-7	0	0	0	107.9	Y55 I56 R100	Y55-D129 CarbonylContact C-O 3.4Å; Y55-D129 WeakPolarHBondContact CA-O 3.19Å; I56-D129 HydrophobicContact CB-CB 4.48Å; I56-D129 PolarHBondContact N-O 3.1Å; I56-D129 PolarHBondContact O-N 2.91Å; R100-D129 WeakPolarHBondContact CG-OD1 3.39Å; R100-D129 IonicContact CZ-OD1 2.77Å; R100-D129 IonicContact CZ-OD2 3.24Å; R100-D129 IonicContact NE-OD1 2.99Å; R100-D129 PolarHBondContact NE-OD1 3.02Å; R100-D129 IonicContact NE-OD2 3.63Å; R100-D129 PolarHBondContact NE-OD2 3.39Å; R100-D129 IonicContact NH2-OD1 3.62Å; R100-D129 IonicContact NH2-OD2 3.33Å; R100-D129 PolarHBondContact NH2-OD2 2.92Å
130	V	98.1	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.1	-169.4	-179.9	0	0	0	0	110	Y53 H54 M88 L92 M95 R100 S101 V103 F128	Y53-V130 HydrophobicContact CD2-CG1 3.73Å; Y53-V130 HydrophobicContact CE2-CG1 4.36Å; Y53-V130 HydrophobicContact CG-CG1 4.23Å; H54-V130 CarbonylContact O-C 3.57Å; H54-V130 WeakPolarHBondContact O-CA 3.3Å; M88-V130 HydrophobicContact CE-CG2 3.96Å; M88-V130 HydrophobicContact SD-CG2 4.08Å; L92-V130 HydrophobicContact CD2-CG1 4.08Å; M95-V130 HydrophobicContact CE-CB 4.32Å; M95-V130 HydrophobicContact CE-CG1 3.95Å; M95-V130 HydrophobicContact SD-CG1 4.16Å; R100-V130 CarbonylContact C-O 3.59Å; R100-V130 WeakPolarHBondContact CA-O 3.43Å; S101-V130 PolarHBondContact N-O 2.92Å; S101-V130 PolarHBondContact O-N 2.83Å; V103-V130 HydrophobicContact CG2-CG2 4.16Å; F128-V130 HydrophobicContact CB-CG2 3.89Å
131	L	97.4	Very high	96.3	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.3	170.8	173.7	64.7	0	0	0	109.4	Y53 H54 E99 R100 L133	Y53-L131 CarbonylContact C-O 3.55Å; Y53-L131 VanDerWaalsContact CA-O 3.25Å; Y53-L131 WeakPolarHBondContact CA-O 3.29Å; Y53-L131 VanDerWaalsContact CB-O 3.23Å; Y53-L131 WeakPolarHBondContact CB-O 3.45Å; H54-L131 HydrophobicContact CB-CB 4.47Å; H54-L131 PolarHBondContact N-O 3.41Å; H54-L131 PolarHBondContact O-N 2.99Å; E99-L131 WeakPolarHBondContact O-CA 3.38Å; R100-L131 HydrophobicContact CB-CD1 4.33Å; R100-L131 HydrophobicContact CG-CB 4.49Å; L131-L133 HydrophobicContact CD2-CD2 3.82Å; L131-L133 HydrophobicContact CG-CD2 3.82Å
132	L	97.2	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.1	178.4	-174.6	64.4	0	0	0	110.6	V45 V51 M95 C96 V97 N98 E99	V45-L132 HydrophobicContact CG2-CD1 4.47Å; V45-L132 HydrophobicContact CG2-CD2 3.43Å; V45-L132 VanDerWaalsContact CG2-CD2 3.43Å; V51-L132 HydrophobicContact CB-CD1 3.85Å; V51-L132 HydrophobicContact CG1-CD1 4.07Å; M95-L132 HydrophobicContact CB-CD2 3.88Å; M95-L132 HydrophobicContact CE-CB 4.26Å; C96-L132 WeakPolarHBondContact O-CD2 3.34Å; V97-L132 HydrophobicContact CG2-CD2 4.49Å; N98-L132 WeakPolarHBondContact CA-O 3.41Å; N98-L132 PolarHBondContact N-O 3.48Å; E99-L132 PolarHBondContact O-N 3.27Å; E99-L132 VanDerWaalsContact O-N 3.09Å
133	L	95.6	Very high	96.4	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-28.1	-175.2	-55.5	174.8	0	0	0	113.3	R52 T74 V97 L131	R52-L133 WeakPolarHBondContact O-CA 3.43Å; R52-L133 WeakPolarHBondContact O-CB 3.21Å; R52-L133 PolarHBondContact O-N 3.37Å; T74-L133 HydrophobicContact CG2-CD1 3.58Å; V97-L133 WeakPolarHBondContact CG1-O 3.27Å; L131-L133 HydrophobicContact CD2-CD2 3.82Å; L131-L133 HydrophobicContact CG-CD2 3.82Å
134	D	96.4	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	151.9	-176.8	-147.5	-39.4	0	0	0	111.5	V51 R52 L172 A236 S237	V51-D134 WeakPolarHBondContact CA-O 3.36Å; R52-D134 HydrophobicContact CB-CB 3.68Å; R52-D134 PolarHBondContact N-O 3.01Å; R52-D134 IonicContact NH2-OD2 3.8Å; R52-D134 PolarHBondContact O-N 3.07Å; R52-D134 VanDerWaalsContact O-N 3.09Å; D134-L172 WeakPolarHBondContact OD1-CD2 3.05Å; D134-A236 WeakPolarHBondContact OD2-CA 3.31Å; D134-S237 VanDerWaalsContact OD1-CB 3.22Å; D134-S237 WeakPolarHBondContact OD1-CB 3.31Å; D134-S237 PolarHBondContact OD1-OG 2.7Å; D134-S237 PolarHBondContact OD2-N 2.96Å
135	V	96.7	Very high	96.7	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	127.3	174.6	64	0	0	0	0	110.5	R43 V45 D49 F50 V51 V97 L172	R43-V135 HydrophobicContact CB-CG1 4.26Å; R43-V135 HydrophobicContact CG-CG1 3.97Å; V45-V135 HydrophobicContact CB-CG2 4.49Å; V45-V135 HydrophobicContact CG2-CB 4.28Å; V45-V135 HydrophobicContact CG2-CG2 3.86Å; D49-V135 HydrophobicContact CB-CG2 3.82Å; F50-V135 VanDerWaalsContact O-CA 3.32Å; F50-V135 WeakPolarHBondContact O-CA 3.38Å; V51-V135 HydrophobicContact CG1-CB 4.47Å; V51-V135 HydrophobicContact CG1-CG2 4.19Å; V97-V135 HydrophobicContact CG2-CB 4.26Å; V97-V135 HydrophobicContact CG2-CG1 3.47Å; V97-V135 VanDerWaalsContact CG2-CG1 3.47Å; V135-L172 HydrophobicContact CG1-CD2 4.18Å
136	W	96.6	Very high	96.8	Very high	20 Å²	20	41 Å²	41	8%	0.076	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166.6	173.6	59.2	-93.7	0	0	0	111.2	D49 F50 F78 P138 D140 P218 P219 Q235	D49-W136 CarbonylContact C-O 3.46Å; F50-W136 HydrophobicContact CB-CD2 3.93Å; F50-W136 HydrophobicContact CB-CE3 4.31Å; F50-W136 HydrophobicContact CB-CG 4.48Å; F50-W136 HydrophobicContact CB-CH2 4.08Å; F50-W136 HydrophobicContact CB-CZ2 3.7Å; F50-W136 HydrophobicContact CB-CZ3 4.38Å; F50-W136 HydrophobicContact CD1-CD2 4.42Å; F50-W136 AromaticContact CD1-CE2 3.42Å; F50-W136 VanDerWaalsContact CD1-CE2 3.42Å; F50-W136 AromaticContact CD1-CZ2 3.55Å; F50-W136 HydrophobicContact CD1-CZ2 3.55Å; F50-W136 AromaticContact CD1-NE1 3.21Å; F50-W136 HydrophobicContact CD2-CH2 4.39Å; F50-W136 AromaticContact CD2-CZ2 3.9Å; F50-W136 HydrophobicContact CD2-CZ2 3.9Å; F50-W136 HydrophobicContact CE1-CZ2 4.03Å; F50-W136 AromaticContact CE1-NE1 3.79Å; F50-W136 HydrophobicContact CE2-CZ2 4.35Å; F50-W136 HydrophobicContact CG-CD2 4.42Å; F50-W136 AromaticContact CG-CE2 3.62Å; F50-W136 HydrophobicContact CG-CH2 4.15Å; F50-W136 AromaticContact CG-CZ2 3.44Å; F50-W136 HydrophobicContact CG-CZ2 3.44Å; F50-W136 VanDerWaalsContact CG-CZ2 3.44Å; F50-W136 AromaticContact CG-NE1 3.9Å; F50-W136 HydrophobicContact CZ-CZ2 4.37Å; F50-W136 PolarHBondContact N-O 2.88Å; F50-W136 PolarHBondContact O-N 3.27Å; F78-W136 HydrophobicContact CZ-CH2 4.46Å; W136-P138 HydrophobicContact CZ3-CG 4.05Å; W136-D140 WeakPolarHBondContact CA-OD2 3.47Å; W136-P218 HydrophobicContact CB-CB 4.36Å; W136-P219 HydrophobicContact CD2-CG 4.08Å; W136-P219 HydrophobicContact CG-CG 4.23Å; W136-P219 HydrophobicContact CZ2-CG 4.07Å; W136-P219 VanDerWaalsContact NE1-CG 3.35Å; W136-Q235 HydrophobicContact CZ2-CB 4.38Å; W136-Q235 PolarHBondContact NE1-O 2.83Å; W136-Q235 VanDerWaalsContact NE1-O 3.11Å
137	N	95.3	Very high	96.8	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.171	25%	0.246	C	C	.	.			trans	-125.5	145.3	176.4	-168.6	-73.9	0	0	0	110.1	R43 G48 D49 D139 D140	R43-N137 VanDerWaalsContact NH2-CB 3.34Å; G48-N137 PolarHBondContact O-ND2 2.81Å; D49-N137 PolarHBondContact OD1-ND2 3.47Å; N137-D139 PolarHBondContact O-N 2.86Å; N137-D139 VanDerWaalsContact O-N 3.08Å; N137-D139 PolarHBondContact OD1-N 2.72Å; N137-D140 PolarHBondContact N-OD2 3.2Å; N137-D140 VanDerWaalsContact O-CB 3.24Å; N137-D140 WeakPolarHBondContact O-CB 3.24Å; N137-D140 VanDerWaalsContact O-CG 3.29Å; N137-D140 PolarHBondContact O-N 3.34Å
138	P	93.9	Very high	96.7	Very high	73 Å²	73	48.7 Å²	48.7	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.4	176.6	-29.6	35.9	0	0	0	115.2	F78 W136 D140	F78-P138 HydrophobicContact CE1-CG 3.99Å; F78-P138 HydrophobicContact CZ-CG 4.25Å; W136-P138 HydrophobicContact CZ3-CG 4.05Å; P138-D140 VanDerWaalsContact C-N 3.31Å
139	D	94.6	Very high	96.6	Very high	150 Å²	150	52.2 Å²	52.2	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.5	178.9	-61.9	-31.9	0	0	0	113.3	N137	N137-D139 PolarHBondContact O-N 2.86Å; N137-D139 VanDerWaalsContact O-N 3.08Å; N137-D139 PolarHBondContact OD1-N 2.72Å
140	D	94.9	Very high	96.3	Very high	44 Å²	44	51.3 Å²	51.3	24%	0.235	28%	0.277	C	S	.	.			trans	-67.1	138.2	179.1	-67.7	-23.1	0	0	0	111.3	R43 W136 N137 P138 P218	R43-D140 IonicContact CZ-OD1 3.95Å; R43-D140 IonicContact CZ-OD2 2.84Å; R43-D140 IonicContact NH1-OD1 2.73Å; R43-D140 PolarHBondContact NH1-OD1 2.97Å; R43-D140 VanDerWaalsContact NH1-OD1 3.1Å; R43-D140 IonicContact NH1-OD2 3.6Å; R43-D140 PolarHBondContact NH1-OD2 3.07Å; R43-D140 IonicContact NH2-OD1 2.95Å; R43-D140 IonicContact NH2-OD2 3.92Å; R43-D140 PolarHBondContact NH2-OD2 2.92Å; W136-D140 WeakPolarHBondContact CA-OD2 3.47Å; N137-D140 PolarHBondContact N-OD2 3.2Å; N137-D140 VanDerWaalsContact O-CB 3.24Å; N137-D140 WeakPolarHBondContact O-CB 3.24Å; N137-D140 VanDerWaalsContact O-CG 3.29Å; N137-D140 PolarHBondContact O-N 3.34Å; P138-D140 VanDerWaalsContact C-N 3.31Å; D140-P218 HydrophobicContact CB-CB 4.24Å; D140-P218 HydrophobicContact CB-CG 4.14Å; D140-P218 WeakPolarHBondContact O-CG 3.1Å
141	G	96.8	Very high	95.9	Very high	33 Å²	33	58.2 Å²	58.2	34%	0.34	32%	0.322	S	S	.	.			trans	-108.5	-177.1	166.5	0	0	0	0	0	111.8	Q143	G141-Q143 PolarHBondContact O-N 2.93Å; G141-Q143 PolarHBondContact O-NE2 2Å; G141-Q143 VanDerWaalsContact O-NE2 3.1Å
142	V	97.6	Very high	95.3	Very high	25 Å²	25	60.4 Å²	60.4	15%	0.152	35%	0.345	C	S	.	.			trans	-60.6	130.6	172.7	-174.7	0	0	0	0	110.4	I144 Q202 I215 T216 M217 L221	V142-I144 HydrophobicContact CG1-CG1 4.06Å; V142-Q202 HydrophobicContact CG2-CB 4Å; V142-I215 HydrophobicContact CG1-CG2 3.56Å; V142-T216 WeakPolarHBondContact CA-O 3.39Å; V142-M217 HydrophobicContact CG2-CB 4.37Å; V142-L221 HydrophobicContact CG2-CD1 3.58Å
143	Q	96.9	Very high	94.8	Very high	119 Å²	119	63 Å²	63	56%	0.556	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.3	170.9	-54.2	-56.2	-56.7	0	0	109.1	G141 I215 T216	G141-Q143 PolarHBondContact O-N 2.93Å; G141-Q143 PolarHBondContact O-NE2 2Å; G141-Q143 VanDerWaalsContact O-NE2 3.1Å; Q143-I215 WeakPolarHBondContact O-CA 3Å; Q143-T216 PolarHBondContact N-O 2.7Å; Q143-T216 PolarHBondContact O-N 2.83Å
144	I	97.9	Very high	94.1	Very high	77 Å²	77	68.2 Å²	68.2	40%	0.395	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.1	-179.4	-59.5	172.3	0	0	0	108.5	V142 R213	V142-I144 HydrophobicContact CG1-CG1 4.06Å; I144-R213 HydrophobicContact CG2-CB 4.48Å
145	N	96.9	Very high	93.8	Very high	96 Å²	96	71.8 Å²	71.8	51%	0.513	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	99.8	173.7	-179.8	32	0	0	0	110	R213 I214	N145-R213 CarbonylContact O-C 3.55Å; N145-R213 VanDerWaalsContact O-CA 3.27Å; N145-R213 WeakPolarHBondContact O-CA 3.39Å; N145-R213 WeakPolarHBondContact O-CB 3.49Å; N145-I214 HydrophobicContact CB-CB 4.4Å; N145-I214 PolarHBondContact N-O 2.81Å; N145-I214 PolarHBondContact O-N 2.71Å
146	T	98	Very high	93.8	Very high	54 Å²	54	77.2 Å²	77.2	33%	0.331	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.6	176.3	-57.2	0	0	0	0	109.7	T149 E211	T146-T149 WeakPolarHBondContact CG2-OG1 3.26Å; T146-E211 HydrophobicContact CG2-CG 3.84Å; T146-E211 WeakPolarHBondContact CG2-OE1 3.45Å; T146-E211 PolarHBondContact OG1-OE1 2.96Å
147	Y	97.1	Very high	93.8	Very high	107 Å²	107	76.5 Å²	76.5	42%	0.42	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-9.9	-176.8	66	-96.3	0	0	0	113.3	R212 I214 D241	Y147-R212 HydrophobicContact CD2-CB 4.3Å; Y147-R212 HydrophobicContact CE1-CB 3.92Å; Y147-R212 HydrophobicContact CE2-CB 3.59Å; Y147-R212 HydrophobicContact CE2-CG 4.38Å; Y147-R212 PolarHBondContact N-O 2.85Å; Y147-R212 VanDerWaalsContact N-O 3.1Å; Y147-R212 WeakPolarHBondContact OH-CB 3.2Å; Y147-I214 HydrophobicContact CD1-CD1 4.47Å; Y147-I214 HydrophobicContact CD1-CG1 4.08Å; Y147-I214 HydrophobicContact CE1-CD1 4.5Å; Y147-I214 HydrophobicContact CE1-CG1 3.89Å; Y147-D241 WeakPolarHBondContact CE1-OD1 3.3Å; Y147-D241 PolarHBondContact OH-OD1 3.26Å; Y147-D241 PolarHBondContact OH-OD2 2.92Å
148	H	97.3	Very high	93.9	Very high	89 Å²	89	81.1 Å²	81.1	41%	0.412	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.4	171	-179.9	70.7	0	0	0	110.8	G210 E211 R212	H148-G210 PolarHBondContact CD2-O 2.87Å; H148-E211 WeakPolarHBondContact O-CA 3.49Å; H148-E211 WeakPolarHBondContact O-CG 3.18Å; H148-R212 HydrophobicContact CB-CB 3.94Å; H148-R212 HydrophobicContact CB-CG 4.06Å; H148-R212 PolarHBondContact N-O 2.61Å; H148-R212 PolarHBondContact O-N 2.96Å
149	T	94.6	Very high	94	Very high	85 Å²	85	81.6 Å²	81.6	52%	0.521	46%	0.457	S	S	.	.			trans	-121.1	130.7	173.9	-52.2	0	0	0	0	109.4	T146	T146-T149 WeakPolarHBondContact CG2-OG1 3.26Å
150	P	92.1	Very high	94	Very high	22 Å²	22	76.9 Å²	76.9	14%	0.143	44%	0.435	C	S	.	.			trans	-63.3	149.8	176.7	30.5	-40.1	0	0	0	110.8	A152 C208 V209	P150-A152 WeakPolarHBondContact CG-O 3.4Å; P150-A152 PolarHBondContact O-N 3.33Å; P150-C208 HydrophobicContact CG-CB 3.82Å; P150-V209 WeakPolarHBondContact CG-O 3.38Å
151	P	89.4	Confident	94.1	Very high	144 Å²	144	74.9 Å²	74.9	94%	0.935	42%	0.424	S	S	*	.	S	Bend	trans	-60.6	-30.6	178.6	-24.2	33.6	0	0	0	113.9
152	A	85.1	Confident	94.1	Very high	80 Å²	80	74.2 Å²	74.2	66%	0.661	41%	0.412	S	S	*	.			trans	-114.8	133.4	177.2	0	0	0	0	0	109.7	P150	P150-A152 WeakPolarHBondContact CG-O 3.4Å; P150-A152 PolarHBondContact O-N 3.33Å
153	C	88	Confident	94.1	Very high	54 Å²	54	73.1 Å²	73.1	37%	0.365	41%	0.406	S	S	.	.			trans	-139	89	172.4	-179.4	0	0	0	0	108.4	R155 C208	C153-R155 VanDerWaalsContact C-N 3.32Å; C153-R155 PolarHBondContact SG-O 3.48Å; C153-R155 VanDerWaalsContact SG-O 3.35Å; C153-C208 HydrophobicContact CB-CB 3.72Å; C153-C208 WeakPolarHBondContact CB-SG 3.43Å; C153-C208 WeakPolarHBondContact SG-CB 3.26Å; C153-C208 CovalentContact SG-SG 2.02Å; C153-C208 PolarHBondContact SG-SG 2.76Å
154	S	80.9	Confident	94	Very high	125 Å²	125	68.4 Å²	68.4	87%	0.874	38%	0.383	S	S	*	.	S	Bend	trans	-70.4	-31.2	179.8	49.6	0	0	0	0	112.1
155	R	89.1	Confident	94	Very high	75 Å²	75	65 Å²	65	28%	0.283	37%	0.365	S	S	.	.			trans	-147.1	149.2	-178.8	178.8	179.5	170.1	-178.9	3.5	110.5	C153 D161 L247 D252	C153-R155 VanDerWaalsContact C-N 3.32Å; C153-R155 PolarHBondContact SG-O 3.48Å; C153-R155 VanDerWaalsContact SG-O 3.35Å; R155-D161 IonicContact CZ-OD1 2.83Å; R155-D161 IonicContact CZ-OD2 3.21Å; R155-D161 IonicContact NE-OD2 3.36Å; R155-D161 IonicContact NH2-OD1 3.1Å; R155-D161 PolarHBondContact NH2-OD1 3.18Å; R155-D161 IonicContact NH2-OD2 2.83Å; R155-D161 PolarHBondContact NH2-OD2 3.37Å; R155-L247 HydrophobicContact CG-CD2 3.91Å; R155-D252 IonicContact CZ-OD2 2.71Å; R155-D252 IonicContact NH1-OD1 3.55Å; R155-D252 IonicContact NH1-OD2 3.99Å; R155-D252 PolarHBondContact NH1-OD2 2.96Å; R155-D252 IonicContact NH2-OD2 3.42Å
156	K	95.8	Very high	94	Very high	117 Å²	117	62.1 Å²	62.1	51%	0.509	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-112.5	155.2	172.8	-66.5	-176.1	176.4	-171.1	0	110.6	E158 M207	K156-E158 PolarHBondContact O-N 2.86Å; K156-M207 CarbonylContact C-O 3.49Å; K156-M207 VanDerWaalsContact CA-O 3.29Å; K156-M207 WeakPolarHBondContact CA-O 3.37Å
157	V	97.6	Very high	94	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.03	34%	0.335	C	S	.	.			trans	-59.4	123.5	174.1	179.6	0	0	0	0	110.1	V163 V191 L204 L205 G206 M207 L244 L247	V157-V163 HydrophobicContact CG1-CG1 3.9Å; V157-V163 HydrophobicContact CG2-CG1 3.81Å; V157-V191 HydrophobicContact CG1-CB 3.91Å; V157-V191 HydrophobicContact CG1-CG1 3.92Å; V157-V191 HydrophobicContact CG1-CG2 3.89Å; V157-L204 WeakPolarHBondContact CB-O 3.44Å; V157-L205 HydrophobicContact CG1-CD2 4.47Å; V157-G206 PolarHBondContact O-N 3.46Å; V157-M207 HydrophobicContact CG2-CB 3.85Å; V157-M207 WeakPolarHBondContact CG2-O 3.35Å; V157-M207 PolarHBondContact N-O 3.39Å; V157-L244 HydrophobicContact CG2-CD1 4.48Å; V157-L244 HydrophobicContact CG2-CD2 3.48Å; V157-L244 VanDerWaalsContact CG2-CD2 3.48Å; V157-L247 HydrophobicContact CB-CD1 4.45Å; V157-L247 HydrophobicContact CG2-CD1 4.07Å; V157-L247 HydrophobicContact CG2-CD2 4.07Å
158	E	97.1	Very high	94.1	Very high	129 Å²	129	57.8 Å²	57.8	60%	0.603	33%	0.33	S	S	*	.			trans	-113.3	170.2	172.3	-63.4	-173.3	165	0	0	111.5	K156 D161	K156-E158 PolarHBondContact O-N 2.86Å; E158-D161 PolarHBondContact N-OD2 2.83Å; E158-D161 WeakPolarHBondContact O-CB 3.49Å; E158-D161 PolarHBondContact O-N 3.31Å
159	V	96.4	Very high	94.1	Very high	84 Å²	84	53.6 Å²	53.6	51%	0.509	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	139.6	175.2	175.4	0	0	0	0	109.4	D161 I193 L205	V159-D161 PolarHBondContact O-N 2.96Å; V159-I193 HydrophobicContact CG1-CG2 4.39Å; V159-L205 HydrophobicContact CG2-CD2 4.08Å
160	S	94.9	Very high	94.3	Very high	51 Å²	51	51 Å²	51	36%	0.357	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	1.5	-176.4	78.6	0	0	0	0	116.1	V191 N249	S160-V191 PolarHBondContact N-O 3.04Å; S160-N249 PolarHBondContact OG-ND2 3.47Å
161	D	96.8	Very high	94.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.29	C	S	.	.			trans	-73.4	143.3	173.5	-72.5	-14.3	0	0	0	111.6	R155 E158 V159 Y190 V191 L247 N249	R155-D161 IonicContact CZ-OD1 2.83Å; R155-D161 IonicContact CZ-OD2 3.21Å; R155-D161 IonicContact NE-OD2 3.36Å; R155-D161 IonicContact NH2-OD1 3.1Å; R155-D161 PolarHBondContact NH2-OD1 3.18Å; R155-D161 IonicContact NH2-OD2 2.83Å; R155-D161 PolarHBondContact NH2-OD2 3.37Å; E158-D161 PolarHBondContact N-OD2 2.83Å; E158-D161 WeakPolarHBondContact O-CB 3.49Å; E158-D161 PolarHBondContact O-N 3.31Å; V159-D161 PolarHBondContact O-N 2.96Å; D161-Y190 CarbonylContact O-C 3.47Å; D161-Y190 VanDerWaalsContact O-CA 3.29Å; D161-Y190 WeakPolarHBondContact O-CA 3.31Å; D161-V191 PolarHBondContact O-N 2.96Å; D161-L247 HydrophobicContact CB-CD1 3.47Å; D161-L247 VanDerWaalsContact CB-CD1 3.47Å; D161-L247 WeakPolarHBondContact OD2-CD1 3.5Å; D161-N249 PolarHBondContact OD1-ND2 3.04Å
162	F	96.3	Very high	94.7	Very high	20 Å²	20	45.8 Å²	45.8	9%	0.088	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130	167.3	-176.7	-87.4	0	0	0	109.3	R164 D188 T189 Y190 L247 H248 S347	F162-R164 HydrophobicContact CD1-CG 4.29Å; F162-R164 HydrophobicContact CE1-CG 3.57Å; F162-R164 HydrophobicContact CZ-CG 4.38Å; F162-D188 HydrophobicContact CE1-CB 4.45Å; F162-D188 HydrophobicContact CE2-CB 4.33Å; F162-D188 HydrophobicContact CZ-CB 3.72Å; F162-T189 CarbonylContact C-O 3.59Å; F162-T189 WeakPolarHBondContact CA-O 3.37Å; F162-Y190 HydrophobicContact CB-CD1 4.04Å; F162-Y190 HydrophobicContact CB-CE1 3.79Å; F162-Y190 HydrophobicContact CD2-CD1 4.38Å; F162-Y190 HydrophobicContact CD2-CD2 4.43Å; F162-Y190 HydrophobicContact CD2-CE1 4.02Å; F162-Y190 HydrophobicContact CD2-CE2 4.07Å; F162-Y190 AromaticContact CD2-CZ 3.86Å; F162-Y190 HydrophobicContact CG-CE1 4.41Å; F162-L247 WeakPolarHBondContact O-CA 3.41Å; F162-H248 AromaticContact CD1-CE1 3.19Å; F162-H248 WeakPolarHBondContact CD1-CE1 3.41Å; F162-H248 AromaticContact CD1-ND1 3.67Å; F162-H248 AromaticContact CE1-CE1 3.92Å; F162-H248 AromaticContact CG-CE1 3.61Å; F162-H248 PolarHBondContact N-O 3.09Å; F162-H248 PolarHBondContact O-N 2.75Å; F162-S347 VanDerWaalsContact CE1-CB 3.45Å
163	V	96.9	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.8	180	-64.5	0	0	0	0	111.4	V157 Y165 D188 T189 V191 L204 L244 D246 L247	V157-V163 HydrophobicContact CG1-CG1 3.9Å; V157-V163 HydrophobicContact CG2-CG1 3.81Å; V163-Y165 HydrophobicContact CG2-CD1 3.82Å; V163-Y165 HydrophobicContact CG2-CE1 3.99Å; V163-D188 WeakPolarHBondContact O-CA 3.23Å; V163-T189 HydrophobicContact CG2-CG2 3.9Å; V163-T189 PolarHBondContact N-O 3.07Å; V163-T189 PolarHBondContact O-N 2.75Å; V163-T189 VanDerWaalsContact O-N 3.15Å; V163-V191 HydrophobicContact CB-CG2 4.18Å; V163-V191 HydrophobicContact CG1-CG2 3.69Å; V163-V191 HydrophobicContact CG2-CG2 3.4Å; V163-L204 HydrophobicContact CG2-CD1 4.5Å; V163-L244 HydrophobicContact CB-CD1 3.79Å; V163-L244 HydrophobicContact CG1-CD1 4Å; V163-D246 WeakPolarHBondContact CA-O 3.49Å; V163-L247 HydrophobicContact CG1-CD1 3.88Å
164	R	95.9	Very high	95.2	Very high	21 Å²	21	43.1 Å²	43.1	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.8	167.8	-56.3	-176.8	56.6	-153	-8.7	109	F162 T186 D188 L245 D246 G346	F162-R164 HydrophobicContact CD1-CG 4.29Å; F162-R164 HydrophobicContact CE1-CG 3.57Å; F162-R164 HydrophobicContact CZ-CG 4.38Å; R164-T186 PolarHBondContact NE-OG1 3.44Å; R164-T186 PolarHBondContact NH2-OG1 2.91Å; R164-D188 HydrophobicContact CG-CB 4.47Å; R164-D188 WeakPolarHBondContact CG-OD1 3.41Å; R164-D188 IonicContact NE-OD1 3.07Å; R164-D188 PolarHBondContact NE-OD1 3.2Å; R164-D188 IonicContact NE-OD2 3.55Å; R164-D188 PolarHBondContact NE-OD2 3.42Å; R164-L245 WeakPolarHBondContact O-CA 3.39Å; R164-L245 WeakPolarHBondContact O-CB 3.39Å; R164-L245 PolarHBondContact O-N 2.86Å; R164-D246 HydrophobicContact CB-CB 3.8Å; R164-D246 HydrophobicContact CG-CB 4.03Å; R164-D246 PolarHBondContact N-O 3.35Å; R164-D246 PolarHBondContact O-N 3.04Å; R164-D246 VanDerWaalsContact O-N 3.1Å; R164-G346 VanDerWaalsContact CZ-O 3.29Å; R164-G346 PolarHBondContact NH1-O 3.5Å
165	Y	97.1	Very high	95.9	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.1	-178	63.4	-85.8	0	0	0	111.6	V163 Y167 Y187 T189 M200 L204 V242 V243	V163-Y165 HydrophobicContact CG2-CD1 3.82Å; V163-Y165 HydrophobicContact CG2-CE1 3.99Å; Y165-Y167 HydrophobicContact CD2-CD1 4.03Å; Y165-Y167 AromaticContact CE2-CD1 3.57Å; Y165-Y167 HydrophobicContact CE2-CD1 3.57Å; Y165-Y167 HydrophobicContact CE2-CE1 4.29Å; Y165-Y167 HydrophobicContact CE2-CG 4.23Å; Y165-Y187 WeakPolarHBondContact CD1-O 3.42Å; Y165-Y187 AromaticContact CE1-CD1 3.88Å; Y165-Y187 HydrophobicContact CE1-CD1 3.88Å; Y165-Y187 HydrophobicContact CE1-CG 4.46Å; Y165-Y187 AromaticContact CZ-CD1 3.71Å; Y165-Y187 PolarHBondContact N-O 3.04Å; Y165-Y187 VanDerWaalsContact N-O 3.09Å; Y165-Y187 PolarHBondContact O-N 2.83Å; Y165-Y187 VanDerWaalsContact OH-CD1 3.31Å; Y165-Y187 WeakPolarHBondContact OH-CD1 3.48Å; Y165-T189 HydrophobicContact CE1-CG2 3.99Å; Y165-M200 HydrophobicContact CE2-CE 4.03Å; Y165-L204 HydrophobicContact CD1-CD1 4.34Å; Y165-L204 HydrophobicContact CD1-CD2 4.43Å; Y165-L204 HydrophobicContact CE1-CD1 3.73Å; Y165-L204 HydrophobicContact CE1-CD2 4.47Å; Y165-L204 HydrophobicContact CG-CD2 4.5Å; Y165-V242 HydrophobicContact CD2-CG1 3.7Å; Y165-V242 HydrophobicContact CE2-CG1 4.48Å; Y165-V242 HydrophobicContact CG-CG1 4.09Å; Y165-V243 VanDerWaalsContact CA-O 3.25Å; Y165-V243 WeakPolarHBondContact CA-O 3.33Å; Y165-V243 WeakPolarHBondContact CB-O 3.35Å
166	H	97.7	Very high	96.3	Very high	36 Å²	36	41.8 Å²	41.8	17%	0.167	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.4	162.1	-82.2	-54.2	0	0	0	110	S180 H181 R185 V242 V243	H166-S180 VanDerWaalsContact CA-OG 3.22Å; H166-S180 WeakPolarHBondContact CA-OG 3.17Å; H166-S180 WeakPolarHBondContact CB-OG 3.35Å; H166-S180 WeakPolarHBondContact ND1-CB 3.42Å; H166-S180 PolarHBondContact ND1-OG 2.78Å; H166-H181 VanDerWaalsContact CB-CE1 3.41Å; H166-H181 WeakPolarHBondContact CB-CE1 3.22Å; H166-H181 AromaticContact CD2-CE1 3.69Å; H166-H181 AromaticContact CD2-ND1 3.94Å; H166-H181 AromaticContact CG-CE1 3.49Å; H166-H181 VanDerWaalsContact CG-CE1 3.49Å; H166-H181 AromaticContact CG-ND1 3.79Å; H166-H181 AromaticContact ND1-ND1 3.96Å; H166-R185 PolarHBondContact CE1-O 3.42Å; H166-V242 WeakPolarHBondContact O-CA 3.29Å; H166-V243 HydrophobicContact CB-CG1 3.69Å; H166-V243 PolarHBondContact N-O 3.37Å; H166-V243 PolarHBondContact O-N 2.89Å
167	Y	98.4	Very high	96.3	Very high	15 Å²	15	37.8 Å²	37.8	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.2	172	71.9	-87.8	0	0	0	113.6	Y165 D178 S179 S180 R183 Y187 F240 D241	Y165-Y167 HydrophobicContact CD2-CD1 4.03Å; Y165-Y167 AromaticContact CE2-CD1 3.57Å; Y165-Y167 HydrophobicContact CE2-CD1 3.57Å; Y165-Y167 HydrophobicContact CE2-CE1 4.29Å; Y165-Y167 HydrophobicContact CE2-CG 4.23Å; Y167-D178 HydrophobicContact CE2-CB 4.31Å; Y167-D178 PolarHBondContact OH-OD2 3.38Å; Y167-S179 PolarHBondContact O-OG 3.4Å; Y167-S180 PolarHBondContact N-OG 3.04Å; Y167-S180 PolarHBondContact O-N 3.18Å; Y167-S180 PolarHBondContact O-OG 3.09Å; Y167-R183 PolarHBondContact OH-NH2 3.42Å; Y167-Y187 AromaticContact CE1-CD2 3.85Å; Y167-Y187 HydrophobicContact CE1-CD2 3.85Å; Y167-Y187 HydrophobicContact CE1-CG 4.07Å; Y167-F240 AromaticContact CD2-CD1 3.6Å; Y167-F240 HydrophobicContact CD2-CD1 3.6Å; Y167-F240 AromaticContact CD2-CE1 3.85Å; Y167-F240 HydrophobicContact CD2-CE1 3.85Å; Y167-F240 HydrophobicContact CE2-CD1 4.1Å; Y167-F240 AromaticContact CE2-CE1 3.84Å; Y167-F240 HydrophobicContact CE2-CE1 3.84Å; Y167-F240 HydrophobicContact CG-CD1 4.2Å; Y167-D241 CarbonylContact C-O 3.58Å; Y167-D241 WeakPolarHBondContact CA-O 3.22Å
168	N	98.4	Very high	96.2	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.294	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.6	155.7	-67.7	-36.7	0	0	0	109	L176 S179 F240 D241	N168-L176 HydrophobicContact CB-CD1 4.19Å; N168-S179 VanDerWaalsContact OD1-CB 3.31Å; N168-S179 WeakPolarHBondContact OD1-CB 3.48Å; N168-S179 PolarHBondContact OD1-OG 3.29Å; N168-F240 WeakPolarHBondContact O-CA 3.46Å; N168-D241 PolarHBondContact N-O 2.6Å; N168-D241 PolarHBondContact O-N 2.86Å
169	G	98.1	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.4	178.4	0	0	0	0	0	110.8	L176 F177 D178 V239	G169-L176 WeakPolarHBondContact O-CD1 3.44Å; G169-F177 WeakPolarHBondContact O-CD1 3.45Å; G169-F177 PolarHBondContact O-N 3.46Å; G169-D178 PolarHBondContact N-O 3.07Å; G169-D178 PolarHBondContact O-N 3.1Å; G169-V239 WeakPolarHBondContact CA-O 3.37Å
170	T	97.6	Very high	96.2	Very high	30 Å²	30	29.8 Å²	29.8	18%	0.184	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.6	178.1	72.7	0	0	0	0	111.6	T175 L176 F177 V239	T170-T175 CarbonylContact C-O 3.49Å; T170-T175 WeakPolarHBondContact CA-O 3.48Å; T170-T175 WeakPolarHBondContact CB-O 3.38Å; T170-L176 HydrophobicContact CG2-CB 4.43Å; T170-L176 HydrophobicContact CG2-CD1 4.02Å; T170-F177 VanDerWaalsContact C-CE1 3.44Å; T170-F177 WeakPolarHBondContact O-CE1 3.23Å; T170-V239 PolarHBondContact N-O 3.43Å; T170-V239 PolarHBondContact O-N 2.98Å
171	L	96.2	Very high	96.2	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.058	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	167.6	161	-54.7	-177.6	0	0	0	109.5	D173 G174 T175 F177 A236 L238	L171-D173 WeakPolarHBondContact CB-OD1 3.45Å; L171-D173 PolarHBondContact O-N 3.22Å; L171-G174 PolarHBondContact O-N 3.05Å; L171-T175 HydrophobicContact CD1-CG2 4.43Å; L171-T175 PolarHBondContact N-O 2.94Å; L171-F177 HydrophobicContact CD2-CD1 4.03Å; L171-F177 HydrophobicContact CD2-CE1 4.49Å; L171-F177 HydrophobicContact CG-CD1 4.4Å; L171-A236 HydrophobicContact CD2-CB 4.09Å; L171-L238 HydrophobicContact CD2-CD2 4.28Å
172	L	94.4	Very high	96	Very high	46 Å²	46	36.4 Å²	36.4	24%	0.241	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.4	-177.7	-165.8	59.6	0	0	0	113.5	V97 D134 V135 G174 T216 V239	V97-L172 HydrophobicContact CB-CG 4.47Å; V97-L172 HydrophobicContact CG1-CB 4.35Å; V97-L172 HydrophobicContact CG1-CG 4.13Å; V97-L172 HydrophobicContact CG2-CD2 3.77Å; V97-L172 HydrophobicContact CG2-CG 4.1Å; D134-L172 WeakPolarHBondContact OD1-CD2 3.05Å; V135-L172 HydrophobicContact CG1-CD2 4.18Å; L172-G174 VanDerWaalsContact C-N 3.26Å; L172-G174 PolarHBondContact O-N 3.17Å; L172-T216 HydrophobicContact CD1-CG2 4.18Å; L172-V239 HydrophobicContact CD1-CG2 3.8Å
173	D	92.3	Very high	95.8	Very high	30 Å²	30	39.6 Å²	39.6	16%	0.16	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.8	173.7	65.2	7.9	0	0	0	114.2	V97 L171 T175	V97-D173 HydrophobicContact CG1-CB 4.04Å; L171-D173 WeakPolarHBondContact CB-OD1 3.45Å; L171-D173 PolarHBondContact O-N 3.22Å; D173-T175 VanDerWaalsContact OD1-CB 3.24Å; D173-T175 WeakPolarHBondContact OD1-CB 3.36Å; D173-T175 PolarHBondContact OD1-N 3.08Å; D173-T175 PolarHBondContact OD1-OG1 2.89Å; D173-T175 PolarHBondContact OD2-OG1 2.88Å
174	G	92.3	Very high	95.4	Very high	49 Å²	49	47.9 Å²	47.9	51%	0.505	26%	0.256	S	S	.	.			trans	92.9	1	-179.4	0	0	0	0	0	114.7	L171 L172 L176	L171-G174 PolarHBondContact O-N 3.05Å; L172-G174 VanDerWaalsContact C-N 3.26Å; L172-G174 PolarHBondContact O-N 3.17Å; G174-L176 PolarHBondContact O-N 3.06Å
175	T	94.1	Very high	95.2	Very high	75 Å²	75	54.6 Å²	54.6	46%	0.46	28%	0.281	S	S	.	.			trans	-64.6	115.5	176	-55.6	0	0	0	0	110.4	T170 L171 D173	T170-T175 CarbonylContact C-O 3.49Å; T170-T175 WeakPolarHBondContact CA-O 3.48Å; T170-T175 WeakPolarHBondContact CB-O 3.38Å; L171-T175 HydrophobicContact CD1-CG2 4.43Å; L171-T175 PolarHBondContact N-O 2.94Å; D173-T175 VanDerWaalsContact OD1-CB 3.24Å; D173-T175 WeakPolarHBondContact OD1-CB 3.36Å; D173-T175 PolarHBondContact OD1-N 3.08Å; D173-T175 PolarHBondContact OD1-OG1 2.89Å; D173-T175 PolarHBondContact OD2-OG1 2.88Å
176	L	96.9	Very high	95	Very high	97 Å²	97	55.5 Å²	55.5	51%	0.508	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.8	176.9	-175.3	77.5	0	0	0	110.7	N168 G169 T170 G174 D178	N168-L176 HydrophobicContact CB-CD1 4.19Å; G169-L176 WeakPolarHBondContact O-CD1 3.44Å; T170-L176 HydrophobicContact CG2-CB 4.43Å; T170-L176 HydrophobicContact CG2-CD1 4.02Å; G174-L176 PolarHBondContact O-N 3.06Å; L176-D178 WeakPolarHBondContact CD1-O 3.29Å
177	F	96.4	Very high	94.9	Very high	33 Å²	33	57.4 Å²	57.4	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-30.8	174.2	64.8	-103.5	0	0	0	112.7	G169 T170 L171 D231 I232 L238 F240	G169-F177 WeakPolarHBondContact O-CD1 3.45Å; G169-F177 PolarHBondContact O-N 3.46Å; T170-F177 VanDerWaalsContact C-CE1 3.44Å; T170-F177 WeakPolarHBondContact O-CE1 3.23Å; L171-F177 HydrophobicContact CD2-CD1 4.03Å; L171-F177 HydrophobicContact CD2-CE1 4.49Å; L171-F177 HydrophobicContact CG-CD1 4.4Å; F177-D231 HydrophobicContact CB-CB 4.11Å; F177-I232 HydrophobicContact CB-CG1 4.25Å; F177-I232 HydrophobicContact CD1-CG1 4.28Å; F177-I232 HydrophobicContact CD2-CD1 3.69Å; F177-I232 HydrophobicContact CD2-CG1 3.91Å; F177-I232 HydrophobicContact CE1-CD1 4.46Å; F177-I232 HydrophobicContact CE2-CD1 3.68Å; F177-I232 HydrophobicContact CE2-CG1 4.35Å; F177-I232 HydrophobicContact CG-CD1 4.15Å; F177-I232 HydrophobicContact CG-CG1 3.9Å; F177-I232 HydrophobicContact CZ-CD1 4.08Å; F177-L238 HydrophobicContact CE1-CD2 3.97Å; F177-L238 HydrophobicContact CZ-CD2 4.29Å; F177-F240 HydrophobicContact CE2-CE1 4.28Å; F177-F240 HydrophobicContact CE2-CZ 4.18Å; F177-F240 AromaticContact CZ-CE1 3.95Å; F177-F240 HydrophobicContact CZ-CE1 3.95Å; F177-F240 HydrophobicContact CZ-CE2 4.29Å; F177-F240 AromaticContact CZ-CZ 3.65Å; F177-F240 HydrophobicContact CZ-CZ 3.65Å
178	D	95.9	Very high	94.7	Very high	48 Å²	48	59.8 Å²	59.8	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.8	177.8	-173.7	19.3	0	0	0	111.6	Y167 G169 L176 R183	Y167-D178 HydrophobicContact CE2-CB 4.31Å; Y167-D178 PolarHBondContact OH-OD2 3.38Å; G169-D178 PolarHBondContact N-O 3.07Å; G169-D178 PolarHBondContact O-N 3.1Å; L176-D178 WeakPolarHBondContact CD1-O 3.29Å; D178-R183 IonicContact OD1-CZ 3.96Å; D178-R183 IonicContact OD1-NE 3.46Å; D178-R183 PolarHBondContact OD1-NE 2.95Å; D178-R183 IonicContact OD1-NH2 2.7Å; D178-R183 PolarHBondContact OD1-NH2 3.27Å; D178-R183 IonicContact OD2-CZ 3.87Å; D178-R183 IonicContact OD2-NH2 2.72Å; D178-R183 PolarHBondContact OD2-NH2 3.06Å
179	S	97.3	Very high	94.6	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	138.1	173	176.5	0	0	0	0	110.4	Y167 N168 H181 T182 R183	Y167-S179 PolarHBondContact O-OG 3.4Å; N168-S179 VanDerWaalsContact OD1-CB 3.31Å; N168-S179 WeakPolarHBondContact OD1-CB 3.48Å; N168-S179 PolarHBondContact OD1-OG 3.29Å; S179-H181 VanDerWaalsContact C-N 3.3Å; S179-H181 WeakPolarHBondContact OG-CB 3.39Å; S179-H181 PolarHBondContact OG-N 2.82Å; S179-H181 VanDerWaalsContact OG-N 3.08Å; S179-T182 PolarHBondContact O-OG1 3.26Å; S179-R183 PolarHBondContact O-NE 2.91Å; S179-R183 VanDerWaalsContact O-NE 3.08Å
180	S	97.1	Very high	94.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.7	169.3	65	0	0	0	0	112	H166 Y167 R183 M184 R185	H166-S180 VanDerWaalsContact CA-OG 3.22Å; H166-S180 WeakPolarHBondContact CA-OG 3.17Å; H166-S180 WeakPolarHBondContact CB-OG 3.35Å; H166-S180 WeakPolarHBondContact ND1-CB 3.42Å; H166-S180 PolarHBondContact ND1-OG 2.78Å; Y167-S180 PolarHBondContact N-OG 3.04Å; Y167-S180 PolarHBondContact O-N 3.18Å; Y167-S180 PolarHBondContact O-OG 3.09Å; S180-R183 PolarHBondContact O-N 2.76Å; S180-M184 PolarHBondContact O-N 2.86Å; S180-R185 WeakPolarHBondContact CB-O 3.17Å; S180-R185 PolarHBondContact O-N 3.44Å; S180-R185 VanDerWaalsContact O-O 3.04Å
181	H	94	Very high	94.5	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.417	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-39.2	-178.9	-65.2	-72.8	0	0	0	112	H166 S179 R183 M184	H166-H181 VanDerWaalsContact CB-CE1 3.41Å; H166-H181 WeakPolarHBondContact CB-CE1 3.22Å; H166-H181 AromaticContact CD2-CE1 3.69Å; H166-H181 AromaticContact CD2-ND1 3.94Å; H166-H181 AromaticContact CG-CE1 3.49Å; H166-H181 VanDerWaalsContact CG-CE1 3.49Å; H166-H181 AromaticContact CG-ND1 3.79Å; H166-H181 AromaticContact ND1-ND1 3.96Å; S179-H181 VanDerWaalsContact C-N 3.3Å; S179-H181 WeakPolarHBondContact OG-CB 3.39Å; S179-H181 PolarHBondContact OG-N 2.82Å; S179-H181 VanDerWaalsContact OG-N 3.08Å; H181-R183 PolarHBondContact O-N 2.71Å; H181-M184 PolarHBondContact O-N 3.36Å
182	T	93	Very high	94.4	Very high	101 Å²	101	60.1 Å²	60.1	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.6	176.2	56.1	0	0	0	0	112.2	S179 M184	S179-T182 PolarHBondContact O-OG1 3.26Å; T182-M184 VanDerWaalsContact C-N 3.35Å
183	R	91.9	Very high	94.4	Very high	87 Å²	87	61.6 Å²	61.6	33%	0.328	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.9	174.8	-67.2	-179.2	-77.5	157.4	-1	113.6	Y167 D178 S179 S180 H181 R185	Y167-R183 PolarHBondContact OH-NH2 3.42Å; D178-R183 IonicContact OD1-CZ 3.96Å; D178-R183 IonicContact OD1-NE 3.46Å; D178-R183 PolarHBondContact OD1-NE 2.95Å; D178-R183 IonicContact OD1-NH2 2.7Å; D178-R183 PolarHBondContact OD1-NH2 3.27Å; D178-R183 IonicContact OD2-CZ 3.87Å; D178-R183 IonicContact OD2-NH2 2.72Å; D178-R183 PolarHBondContact OD2-NH2 3.06Å; S179-R183 PolarHBondContact O-NE 2.91Å; S179-R183 VanDerWaalsContact O-NE 3.08Å; S180-R183 PolarHBondContact O-N 2.76Å; H181-R183 PolarHBondContact O-N 2.71Å; R183-R185 HydrophobicContact CB-CG 4.06Å; R183-R185 PolarHBondContact O-N 3.04Å; R183-R185 VanDerWaalsContact O-N 3.11Å
184	M	88.6	Confident	94.4	Very high	175 Å²	175	63 Å²	63	86%	0.862	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	33	-178.5	-59.5	-178	-70.4	0	0	113.5	S180 H181 T182	S180-M184 PolarHBondContact O-N 2.86Å; H181-M184 PolarHBondContact O-N 3.36Å; T182-M184 VanDerWaalsContact C-N 3.35Å
185	R	90.7	Very high	94.4	Very high	161 Å²	161	69.3 Å²	69.3	61%	0.608	35%	0.348	S	S	*	.	S	Bend	trans	-146	150.3	177.1	67.8	179.5	-174.8	179.4	2.3	110.4	H166 S180 R183	H166-R185 PolarHBondContact CE1-O 3.42Å; S180-R185 WeakPolarHBondContact CB-O 3.17Å; S180-R185 PolarHBondContact O-N 3.44Å; S180-R185 VanDerWaalsContact O-O 3.04Å; R183-R185 HydrophobicContact CB-CG 4.06Å; R183-R185 PolarHBondContact O-N 3.04Å; R183-R185 VanDerWaalsContact O-N 3.11Å
186	T	93.9	Very high	94.5	Very high	24 Å²	24	66.8 Å²	66.8	15%	0.147	33%	0.332	C	S	.	.			trans	-70	160.5	173.5	49.7	0	0	0	0	110.6	R164 D188 L245	R164-T186 PolarHBondContact NE-OG1 3.44Å; R164-T186 PolarHBondContact NH2-OG1 2.91Å; T186-D188 WeakPolarHBondContact CB-OD1 3.26Å; T186-D188 PolarHBondContact OG1-OD1 2.73Å; T186-L245 HydrophobicContact CG2-CD1 3.57Å
187	Y	95.5	Very high	94.5	Very high	77 Å²	77	63.8 Å²	63.8	30%	0.302	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.4	162.6	-161.3	-79.7	0	0	0	108.2	Y165 Y167 T189 L196	Y165-Y187 WeakPolarHBondContact CD1-O 3.42Å; Y165-Y187 AromaticContact CE1-CD1 3.88Å; Y165-Y187 HydrophobicContact CE1-CD1 3.88Å; Y165-Y187 HydrophobicContact CE1-CG 4.46Å; Y165-Y187 AromaticContact CZ-CD1 3.71Å; Y165-Y187 PolarHBondContact N-O 3.04Å; Y165-Y187 VanDerWaalsContact N-O 3.09Å; Y165-Y187 PolarHBondContact O-N 2.83Å; Y165-Y187 VanDerWaalsContact OH-CD1 3.31Å; Y165-Y187 WeakPolarHBondContact OH-CD1 3.48Å; Y167-Y187 AromaticContact CE1-CD2 3.85Å; Y167-Y187 HydrophobicContact CE1-CD2 3.85Å; Y167-Y187 HydrophobicContact CE1-CG 4.07Å; Y187-T189 HydrophobicContact CD1-CG2 4.04Å; Y187-T189 HydrophobicContact CE1-CG2 3.99Å; Y187-L196 HydrophobicContact CD1-CD2 4.45Å; Y187-L196 HydrophobicContact CE1-CD2 3.59Å
188	D	94.7	Very high	94.5	Very high	65 Å²	65	64.3 Å²	64.3	35%	0.348	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.7	-168.3	-70.6	14.4	0	0	0	107.6	F162 V163 R164 T186	F162-D188 HydrophobicContact CE1-CB 4.45Å; F162-D188 HydrophobicContact CE2-CB 4.33Å; F162-D188 HydrophobicContact CZ-CB 3.72Å; V163-D188 WeakPolarHBondContact O-CA 3.23Å; R164-D188 HydrophobicContact CG-CB 4.47Å; R164-D188 WeakPolarHBondContact CG-OD1 3.41Å; R164-D188 IonicContact NE-OD1 3.07Å; R164-D188 PolarHBondContact NE-OD1 3.2Å; R164-D188 IonicContact NE-OD2 3.55Å; R164-D188 PolarHBondContact NE-OD2 3.42Å; T186-D188 WeakPolarHBondContact CB-OD1 3.26Å; T186-D188 PolarHBondContact OG1-OD1 2.73Å
189	T	95.6	Very high	94.6	Very high	7 Å²	7	62 Å²	62	4%	0.043	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	171.1	-170.8	-166.9	0	0	0	0	112.2	F162 V163 Y165 Y187 L196	F162-T189 CarbonylContact C-O 3.59Å; F162-T189 WeakPolarHBondContact CA-O 3.37Å; V163-T189 HydrophobicContact CG2-CG2 3.9Å; V163-T189 PolarHBondContact N-O 3.07Å; V163-T189 PolarHBondContact O-N 2.75Å; V163-T189 VanDerWaalsContact O-N 3.15Å; Y165-T189 HydrophobicContact CE1-CG2 3.99Å; Y187-T189 HydrophobicContact CD1-CG2 4.04Å; Y187-T189 HydrophobicContact CE1-CG2 3.99Å; T189-L196 HydrophobicContact CG2-CD1 3.8Å; T189-L196 HydrophobicContact CG2-CD2 3.97Å; T189-L196 HydrophobicContact CG2-CG 4.04Å
190	Y	95.9	Very high	94.7	Very high	67 Å²	67	62.2 Å²	62.2	26%	0.263	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.6	169.5	-65.7	-81.7	0	0	0	111.1	D161 F162 I193 P250	D161-Y190 CarbonylContact O-C 3.47Å; D161-Y190 VanDerWaalsContact O-CA 3.29Å; D161-Y190 WeakPolarHBondContact O-CA 3.31Å; F162-Y190 HydrophobicContact CB-CD1 4.04Å; F162-Y190 HydrophobicContact CB-CE1 3.79Å; F162-Y190 HydrophobicContact CD2-CD1 4.38Å; F162-Y190 HydrophobicContact CD2-CD2 4.43Å; F162-Y190 HydrophobicContact CD2-CE1 4.02Å; F162-Y190 HydrophobicContact CD2-CE2 4.07Å; F162-Y190 AromaticContact CD2-CZ 3.86Å; F162-Y190 HydrophobicContact CG-CE1 4.41Å; Y190-I193 HydrophobicContact CD2-CD1 4.41Å; Y190-I193 HydrophobicContact CG-CD1 3.98Å; Y190-P250 HydrophobicContact CE1-CG 3.6Å
191	V	97.4	Very high	94.7	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-98.3	137.7	-177.5	-176.9	0	0	0	0	111.6	V157 S160 D161 V163 I193 L204 L205	V157-V191 HydrophobicContact CG1-CB 3.91Å; V157-V191 HydrophobicContact CG1-CG1 3.92Å; V157-V191 HydrophobicContact CG1-CG2 3.89Å; S160-V191 PolarHBondContact N-O 3.04Å; D161-V191 PolarHBondContact O-N 2.96Å; V163-V191 HydrophobicContact CB-CG2 4.18Å; V163-V191 HydrophobicContact CG1-CG2 3.69Å; V163-V191 HydrophobicContact CG2-CG2 3.4Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 2.92Å; V191-L204 HydrophobicContact CG1-CB 4.07Å; V191-L204 HydrophobicContact CG2-CB 4.23Å; V191-L204 HydrophobicContact CG2-CD1 4.1Å; V191-L205 HydrophobicContact CG1-CD2 3.83Å; V191-L205 HydrophobicContact CG1-CG 3.95Å
192	G	94.1	Very high	94.9	Very high	29 Å²	29	63.2 Å²	63.2	30%	0.299	32%	0.321	S	S	.	.	S	Bend	trans	78.7	14.4	169.6	0	0	0	0	0	114.5	D201	G192-D201 VanDerWaalsContact N-CG 3.34Å; G192-D201 PolarHBondContact N-OD1 3.06Å
193	I	93.9	Very high	95.1	Very high	77 Å²	77	58.4 Å²	58.4	40%	0.395	29%	0.291	S	S	.	.	S	Bend	trans	-115.5	10.1	178	65.1	160.4	0	0	0	113.1	V159 Y190 V191 W195	V159-I193 HydrophobicContact CG1-CG2 4.39Å; Y190-I193 HydrophobicContact CD2-CD1 4.41Å; Y190-I193 HydrophobicContact CG-CD1 3.98Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 2.92Å; I193-W195 VanDerWaalsContact CD1-CD1 3.49Å; I193-W195 HydrophobicContact CD1-CG 4.19Å; I193-W195 HydrophobicContact CG1-CG 4.2Å
194	G	93.3	Very high	95.4	Very high	60 Å²	60	54.3 Å²	54.3	62%	0.619	28%	0.276	S	S	*	.	S	Bend	trans	82.7	19.9	174.1	0	0	0	0	0	115.2	D201	G194-D201 VanDerWaalsContact CA-OD2 3.31Å; G194-D201 WeakPolarHBondContact CA-OD2 3.49Å; G194-D201 PolarHBondContact N-OD2 3.14Å
195	W	92.4	Very high	95.9	Very high	180 Å²	180	48.8 Å²	48.8	68%	0.682	25%	0.249	S	C	*	.	S	Bend	trans	-85.3	-20.4	175.1	-78.3	50.1	0	0	0	112.6	I193	I193-W195 VanDerWaalsContact CD1-CD1 3.49Å; I193-W195 HydrophobicContact CD1-CG 4.19Å; I193-W195 HydrophobicContact CG1-CG 4.2Å
196	L	95.8	Very high	96.2	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	23%	0.234	C	C	.	.	S	Bend	trans	-103	165.6	175.5	-64.8	175.4	0	0	0	110.6	Y187 T189 M200 L204	Y187-L196 HydrophobicContact CD1-CD2 4.45Å; Y187-L196 HydrophobicContact CE1-CD2 3.59Å; T189-L196 HydrophobicContact CG2-CD1 3.8Å; T189-L196 HydrophobicContact CG2-CD2 3.97Å; T189-L196 HydrophobicContact CG2-CG 4.04Å; L196-M200 HydrophobicContact CB-CB 4.1Å; L196-M200 HydrophobicContact CD1-CB 4.1Å; L196-L204 HydrophobicContact CD1-CD1 3.51Å
197	I	96.8	Very high	96.4	Very high	34 Å²	34	41.3 Å²	41.3	17%	0.174	23%	0.227	C	C	.	.			trans	-55.8	141.1	161	60.4	179.6	0	0	0	109.2	G199 M200 D201 M217 Y223 L238 F240	I197-G199 PolarHBondContact O-N 2.84Å; I197-M200 HydrophobicContact CD1-CG 3.86Å; I197-M200 HydrophobicContact CG1-CB 3.88Å; I197-M200 HydrophobicContact CG1-CG 3.63Å; I197-M200 PolarHBondContact O-N 2.88Å; I197-D201 PolarHBondContact O-N 3.21Å; I197-D201 VanDerWaalsContact O-N 3.15Å; I197-M217 HydrophobicContact CD1-CE 4.49Å; I197-M217 HydrophobicContact CD1-SD 3.58Å; I197-M217 VanDerWaalsContact CD1-SD 3.58Å; I197-M217 HydrophobicContact CG1-SD 4.18Å; I197-Y223 HydrophobicContact CD1-CE2 4.35Å; I197-Y223 HydrophobicContact CG2-CD1 4.43Å; I197-Y223 HydrophobicContact CG2-CE1 4.07Å; I197-Y223 HydrophobicContact CG2-CE2 4.37Å; I197-L238 HydrophobicContact CD1-CD1 3.78Å; I197-F240 HydrophobicContact CD1-CE2 3.88Å; I197-F240 HydrophobicContact CD1-CZ 4.09Å
198	A	97.8	Very high	96.4	Very high	45 Å²	45	37.8 Å²	37.8	37%	0.372	21%	0.213	S	C	.	.	H	α-helix	trans	-55.5	-34.1	-168.9	0	0	0	0	0	113.2	D201 Q202 L221	A198-D201 PolarHBondContact O-N 3.12Å; A198-Q202 WeakPolarHBondContact O-CG 3.4Å; A198-Q202 PolarHBondContact O-N 3.19Å; A198-Q202 VanDerWaalsContact O-N 3.08Å; A198-L221 HydrophobicContact CB-CD2 4.04Å; A198-L221 PolarHBondContact N-O 2.92Å
199	G	97.9	Very high	96.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-33.9	178.4	0	0	0	0	0	113.8	I197 G203 L221	I197-G199 PolarHBondContact O-N 2.84Å; G199-G203 PolarHBondContact O-N 2.88Å; G199-L221 PolarHBondContact N-O 3.25Å
200	M	98.3	Very high	96.4	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-74.6	-40.6	174.6	-74.3	-59.6	-65.5	0	0	111.7	Y165 L196 I197 Q202 G203 L204 I215 M217 F240 V242	Y165-M200 HydrophobicContact CE2-CE 4.03Å; L196-M200 HydrophobicContact CB-CB 4.1Å; L196-M200 HydrophobicContact CD1-CB 4.1Å; I197-M200 HydrophobicContact CD1-CG 3.86Å; I197-M200 HydrophobicContact CG1-CB 3.88Å; I197-M200 HydrophobicContact CG1-CG 3.63Å; I197-M200 PolarHBondContact O-N 2.88Å; M200-Q202 PolarHBondContact O-N 3.3Å; M200-G203 PolarHBondContact O-N 2.94Å; M200-L204 HydrophobicContact CE-CD1 4.2Å; M200-L204 HydrophobicContact CE-CD2 4.14Å; M200-L204 HydrophobicContact CE-CG 4.1Å; M200-L204 WeakPolarHBondContact O-CB 3.26Å; M200-L204 VanDerWaalsContact O-CG 3.3Å; M200-L204 WeakPolarHBondContact O-CG 3.34Å; M200-L204 PolarHBondContact O-N 2.94Å; M200-I215 HydrophobicContact CE-CD1 4.16Å; M200-I215 HydrophobicContact SD-CD1 4.07Å; M200-I215 HydrophobicContact SD-CG2 4.4Å; M200-M217 HydrophobicContact CG-CE 3.92Å; M200-M217 HydrophobicContact SD-CE 3.82Å; M200-F240 HydrophobicContact CE-CB 4.34Å; M200-F240 HydrophobicContact CE-CD1 4.46Å; M200-F240 HydrophobicContact CE-CG 4.3Å; M200-F240 HydrophobicContact CG-CD2 4.18Å; M200-F240 HydrophobicContact CG-CE2 4.12Å; M200-F240 HydrophobicContact CG-CZ 4.46Å; M200-F240 HydrophobicContact SD-CB 3.75Å; M200-F240 HydrophobicContact SD-CD1 4.09Å; M200-F240 HydrophobicContact SD-CD2 3.47Å; M200-F240 WeakPolarHBondContact SD-CD2 3.32Å; M200-F240 HydrophobicContact SD-CE2 4.01Å; M200-F240 HydrophobicContact SD-CG 3.5Å; M200-F240 WeakPolarHBondContact SD-CG 3.47Å; M200-V242 HydrophobicContact CE-CG2 4.03Å
201	D	97.5	Very high	96.5	Very high	16 Å²	16	33.6 Å²	33.6	9%	0.086	20%	0.201	C	C	.	.	H	α-helix	trans	-55.1	-43.6	172.8	-104.2	-3.7	0	0	0	111	G192 G194 I197 A198 L205	G192-D201 VanDerWaalsContact N-CG 3.34Å; G192-D201 PolarHBondContact N-OD1 3.06Å; G194-D201 VanDerWaalsContact CA-OD2 3.31Å; G194-D201 WeakPolarHBondContact CA-OD2 3.49Å; G194-D201 PolarHBondContact N-OD2 3.14Å; I197-D201 PolarHBondContact O-N 3.21Å; I197-D201 VanDerWaalsContact O-N 3.15Å; A198-D201 PolarHBondContact O-N 3.12Å; D201-L205 WeakPolarHBondContact O-CG 3.4Å
202	Q	98.2	Very high	96.6	Very high	96 Å²	96	39.4 Å²	39.4	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-72.3	-40.4	176.1	-69.2	174.2	32.4	0	0	112.9	V142 A198 M200	V142-Q202 HydrophobicContact CG2-CB 4Å; A198-Q202 WeakPolarHBondContact O-CG 3.4Å; A198-Q202 PolarHBondContact O-N 3.19Å; A198-Q202 VanDerWaalsContact O-N 3.08Å; M200-Q202 PolarHBondContact O-N 3.3Å
203	G	97.9	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-29.9	-173.2	0	0	0	0	0	115	G199 M200 R213	G199-G203 PolarHBondContact O-N 2.88Å; M200-G203 PolarHBondContact O-N 2.94Å; G203-R213 PolarHBondContact O-NH1 3.25Å
204	L	98.4	Very high	97	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-78.4	-24.5	178.4	-68.5	173.7	0	0	0	113	V157 V163 Y165 V191 L196 M200 G206 M207 I215 V242	V157-L204 WeakPolarHBondContact CB-O 3.44Å; V163-L204 HydrophobicContact CG2-CD1 4.5Å; Y165-L204 HydrophobicContact CD1-CD1 4.34Å; Y165-L204 HydrophobicContact CD1-CD2 4.43Å; Y165-L204 HydrophobicContact CE1-CD1 3.73Å; Y165-L204 HydrophobicContact CE1-CD2 4.47Å; Y165-L204 HydrophobicContact CG-CD2 4.5Å; V191-L204 HydrophobicContact CG1-CB 4.07Å; V191-L204 HydrophobicContact CG2-CB 4.23Å; V191-L204 HydrophobicContact CG2-CD1 4.1Å; L196-L204 HydrophobicContact CD1-CD1 3.51Å; M200-L204 HydrophobicContact CE-CD1 4.2Å; M200-L204 HydrophobicContact CE-CD2 4.14Å; M200-L204 HydrophobicContact CE-CG 4.1Å; M200-L204 WeakPolarHBondContact O-CB 3.26Å; M200-L204 VanDerWaalsContact O-CG 3.3Å; M200-L204 WeakPolarHBondContact O-CG 3.34Å; M200-L204 PolarHBondContact O-N 2.94Å; L204-G206 PolarHBondContact O-N 2.83Å; L204-M207 HydrophobicContact CD2-SD 3.72Å; L204-M207 WeakPolarHBondContact O-CB 3.3Å; L204-M207 VanDerWaalsContact O-CG 3.31Å; L204-M207 WeakPolarHBondContact O-CG 3.4Å; L204-M207 PolarHBondContact O-N 3.02Å; L204-I215 HydrophobicContact CD2-CD1 4.28Å; L204-V242 HydrophobicContact CD2-CG1 3.87Å
205	L	98.1	Very high	97.2	Very high	59 Å²	59	34.8 Å²	34.8	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	140.6	179	-73.9	168.7	0	0	0	111.2	V157 V159 V191 D201 M207 R213	V157-L205 HydrophobicContact CG1-CD2 4.47Å; V159-L205 HydrophobicContact CG2-CD2 4.08Å; V191-L205 HydrophobicContact CG1-CD2 3.83Å; V191-L205 HydrophobicContact CG1-CG 3.95Å; D201-L205 WeakPolarHBondContact O-CG 3.4Å; L205-M207 PolarHBondContact O-N 2.82Å; L205-R213 PolarHBondContact O-NH1 2.92Å
206	G	97.2	Very high	97.5	Very high	27 Å²	27	28 Å²	28	28%	0.278	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	5.7	179.8	0	0	0	0	0	115.3	V157 L204 R213	V157-G206 PolarHBondContact O-N 3.46Å; L204-G206 PolarHBondContact O-N 2.83Å; G206-R213 PolarHBondContact O-NH2 2.85Å
207	M	97.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-66.9	143.9	172	-77.5	-170.2	81.3	0	0	112.2	K156 V157 L204 L205 E211 R213 V242 L244	K156-M207 CarbonylContact C-O 3.49Å; K156-M207 VanDerWaalsContact CA-O 3.29Å; K156-M207 WeakPolarHBondContact CA-O 3.37Å; V157-M207 HydrophobicContact CG2-CB 3.85Å; V157-M207 WeakPolarHBondContact CG2-O 3.35Å; V157-M207 PolarHBondContact N-O 3.39Å; L204-M207 HydrophobicContact CD2-SD 3.72Å; L204-M207 WeakPolarHBondContact O-CB 3.3Å; L204-M207 VanDerWaalsContact O-CG 3.31Å; L204-M207 WeakPolarHBondContact O-CG 3.4Å; L204-M207 PolarHBondContact O-N 3.02Å; L205-M207 PolarHBondContact O-N 2.82Å; M207-E211 WeakPolarHBondContact CA-OE2 3.45Å; M207-E211 HydrophobicContact CE-CB 4.23Å; M207-E211 WeakPolarHBondContact CE-O 3.48Å; M207-R213 VanDerWaalsContact CA-NH2 3.34Å; M207-R213 HydrophobicContact CE-CG 3.75Å; M207-R213 HydrophobicContact CG-CG 4.42Å; M207-R213 VanDerWaalsContact CG-NH1 3.32Å; M207-R213 HydrophobicContact SD-CG 3.94Å; M207-V242 HydrophobicContact CE-CG1 4.09Å; M207-V242 HydrophobicContact SD-CG1 4.12Å; M207-L244 HydrophobicContact CB-CB 4.41Å; M207-L244 HydrophobicContact CB-CD2 3.68Å; M207-L244 HydrophobicContact CE-CB 3.73Å; M207-L244 HydrophobicContact SD-CB 4.34Å
208	C	96.2	Very high	97.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.02	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-95.9	149.9	166.1	-58	0	0	0	0	110.7	P150 C153 G210 E211	P150-C208 HydrophobicContact CG-CB 3.82Å; C153-C208 HydrophobicContact CB-CB 3.72Å; C153-C208 WeakPolarHBondContact CB-SG 3.43Å; C153-C208 WeakPolarHBondContact SG-CB 3.26Å; C153-C208 CovalentContact SG-SG 2.02Å; C153-C208 PolarHBondContact SG-SG 2.76Å; C208-G210 PolarHBondContact O-N 2.96Å; C208-E211 HydrophobicContact CB-CB 4.21Å; C208-E211 PolarHBondContact N-OE2 2.97Å; C208-E211 WeakPolarHBondContact O-CB 3.44Å; C208-E211 PolarHBondContact O-N 2.7Å
209	V	95.8	Very high	97.6	Very high	24 Å²	24	23.6 Å²	23.6	15%	0.145	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	131.2	174.2	172.2	0	0	0	0	110.3	P150 E211 L244 L245 L247 L284 D285	P150-V209 WeakPolarHBondContact CG-O 3.38Å; V209-E211 VanDerWaalsContact C-N 3.32Å; V209-L244 HydrophobicContact CG2-CD2 4.12Å; V209-L244 HydrophobicContact CG2-CG 4.35Å; V209-L245 VanDerWaalsContact CG1-O 3.22Å; V209-L245 WeakPolarHBondContact CG1-O 3.28Å; V209-L247 HydrophobicContact CG2-CB 3.73Å; V209-L284 HydrophobicContact CB-CG 4.36Å; V209-L284 HydrophobicContact CG1-CB 4.35Å; V209-L284 HydrophobicContact CG1-CG 4.15Å; V209-L284 HydrophobicContact CG2-CD2 3.75Å; V209-L284 HydrophobicContact CG2-CG 4.08Å; V209-D285 HydrophobicContact CG1-CB 3.97Å
210	G	94.9	Very high	97.5	Very high	22 Å²	22	27.5 Å²	27.5	23%	0.227	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-10.3	-171.5	0	0	0	0	0	114.3	H148 C208 L244	H148-G210 PolarHBondContact CD2-O 2.87Å; C208-G210 PolarHBondContact O-N 2.96Å; G210-L244 WeakPolarHBondContact CA-O 3.49Å; G210-L244 PolarHBondContact N-O 2.88Å
211	E	97.4	Very high	97.5	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.028	16%	0.16	C	C	.	.			trans	-69.4	145.3	178.9	-162.2	-164.4	125.1	0	0	112.1	T146 H148 M207 C208 V209 R213 V243 L244	T146-E211 HydrophobicContact CG2-CG 3.84Å; T146-E211 WeakPolarHBondContact CG2-OE1 3.45Å; T146-E211 PolarHBondContact OG1-OE1 2.96Å; H148-E211 WeakPolarHBondContact O-CA 3.49Å; H148-E211 WeakPolarHBondContact O-CG 3.18Å; M207-E211 WeakPolarHBondContact CA-OE2 3.45Å; M207-E211 HydrophobicContact CE-CB 4.23Å; M207-E211 WeakPolarHBondContact CE-O 3.48Å; C208-E211 HydrophobicContact CB-CB 4.21Å; C208-E211 PolarHBondContact N-OE2 2.97Å; C208-E211 WeakPolarHBondContact O-CB 3.44Å; C208-E211 PolarHBondContact O-N 2.7Å; V209-E211 VanDerWaalsContact C-N 3.32Å; E211-R213 IonicContact OE1-CZ 2.88Å; E211-R213 IonicContact OE1-NE 2.7Å; E211-R213 PolarHBondContact OE1-NE 3.11Å; E211-R213 IonicContact OE1-NH2 3.82Å; E211-R213 PolarHBondContact OE1-NH2 2.98Å; E211-R213 IonicContact OE2-NH2 3.47Å; E211-R213 PolarHBondContact OE2-NH2 2.85Å; E211-R213 VanDerWaalsContact OE2-NH2 3.11Å; E211-V243 WeakPolarHBondContact O-CA 3.19Å; E211-L244 PolarHBondContact O-N 2.67Å; E211-L244 VanDerWaalsContact O-N 3.14Å
212	R	98.4	Very high	97.5	Very high	121 Å²	121	28.9 Å²	28.9	46%	0.457	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.3	172.4	-44.8	-176.7	178.2	-158.3	-2.3	112.3	Y147 H148 V242 V243	Y147-R212 HydrophobicContact CD2-CB 4.3Å; Y147-R212 HydrophobicContact CE1-CB 3.92Å; Y147-R212 HydrophobicContact CE2-CB 3.59Å; Y147-R212 HydrophobicContact CE2-CG 4.38Å; Y147-R212 PolarHBondContact N-O 2.85Å; Y147-R212 VanDerWaalsContact N-O 3.1Å; Y147-R212 WeakPolarHBondContact OH-CB 3.2Å; H148-R212 HydrophobicContact CB-CB 3.94Å; H148-R212 HydrophobicContact CB-CG 4.06Å; H148-R212 PolarHBondContact N-O 2.61Å; H148-R212 PolarHBondContact O-N 2.96Å; R212-V242 WeakPolarHBondContact CA-O 3.3Å; R212-V243 HydrophobicContact CG-CB 3.99Å; R212-V243 HydrophobicContact CG-CG2 3.88Å
213	R	98.3	Very high	97.4	Very high	16 Å²	16	28.3 Å²	28.3	6%	0.06	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.6	-179.9	64	175.9	58.1	169.4	6.5	112	I144 N145 G203 L205 G206 M207 E211 I215 V242	I144-R213 HydrophobicContact CG2-CB 4.48Å; N145-R213 CarbonylContact O-C 3.55Å; N145-R213 VanDerWaalsContact O-CA 3.27Å; N145-R213 WeakPolarHBondContact O-CA 3.39Å; N145-R213 WeakPolarHBondContact O-CB 3.49Å; G203-R213 PolarHBondContact O-NH1 3.25Å; L205-R213 PolarHBondContact O-NH1 2.92Å; G206-R213 PolarHBondContact O-NH2 2.85Å; M207-R213 VanDerWaalsContact CA-NH2 3.34Å; M207-R213 HydrophobicContact CE-CG 3.75Å; M207-R213 HydrophobicContact CG-CG 4.42Å; M207-R213 VanDerWaalsContact CG-NH1 3.32Å; M207-R213 HydrophobicContact SD-CG 3.94Å; E211-R213 IonicContact OE1-CZ 2.88Å; E211-R213 IonicContact OE1-NE 2.7Å; E211-R213 PolarHBondContact OE1-NE 3.11Å; E211-R213 IonicContact OE1-NH2 3.82Å; E211-R213 PolarHBondContact OE1-NH2 2.98Å; E211-R213 IonicContact OE2-NH2 3.47Å; E211-R213 PolarHBondContact OE2-NH2 2.85Å; E211-R213 VanDerWaalsContact OE2-NH2 3.11Å; R213-I215 HydrophobicContact CG-CG1 4.24Å; R213-V242 PolarHBondContact N-O 2.88Å; R213-V242 PolarHBondContact O-N 2.91Å
214	I	98.3	Very high	97.3	Very high	53 Å²	53	29.3 Å²	29.3	27%	0.272	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.5	169.6	-59.4	174.1	0	0	0	108.2	N145 Y147 V239 F240 D241	N145-I214 HydrophobicContact CB-CB 4.4Å; N145-I214 PolarHBondContact N-O 2.81Å; N145-I214 PolarHBondContact O-N 2.71Å; Y147-I214 HydrophobicContact CD1-CD1 4.47Å; Y147-I214 HydrophobicContact CD1-CG1 4.08Å; Y147-I214 HydrophobicContact CE1-CD1 4.5Å; Y147-I214 HydrophobicContact CE1-CG1 3.89Å; I214-V239 HydrophobicContact CG2-CG1 3.5Å; I214-V239 VanDerWaalsContact CG2-CG1 3.5Å; I214-F240 CarbonylContact C-O 3.57Å; I214-F240 VanDerWaalsContact CA-O 3.32Å; I214-F240 WeakPolarHBondContact CA-O 3.48Å; I214-D241 HydrophobicContact CG1-CB 4.49Å
215	I	98.6	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.8	176.7	-56.8	165.9	0	0	0	107.5	V142 Q143 M200 L204 R213 M217 V239 F240 V242	V142-I215 HydrophobicContact CG1-CG2 3.56Å; Q143-I215 WeakPolarHBondContact O-CA 3Å; M200-I215 HydrophobicContact CE-CD1 4.16Å; M200-I215 HydrophobicContact SD-CD1 4.07Å; M200-I215 HydrophobicContact SD-CG2 4.4Å; L204-I215 HydrophobicContact CD2-CD1 4.28Å; R213-I215 HydrophobicContact CG-CG1 4.24Å; I215-M217 HydrophobicContact CG2-CE 3.65Å; I215-V239 CarbonylContact O-C 3.56Å; I215-V239 WeakPolarHBondContact O-CA 3.49Å; I215-F240 HydrophobicContact CB-CB 4.44Å; I215-F240 PolarHBondContact N-O 2.92Å; I215-F240 PolarHBondContact O-N 3.34Å; I215-V242 HydrophobicContact CD1-CG2 4Å
216	T	97.7	Very high	97	Very high	38 Å²	38	40.8 Å²	40.8	23%	0.233	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.1	175.6	-57.1	0	0	0	0	109.5	V142 Q143 L172 L238 V239	V142-T216 WeakPolarHBondContact CA-O 3.39Å; Q143-T216 PolarHBondContact N-O 2.7Å; Q143-T216 PolarHBondContact O-N 2.83Å; L172-T216 HydrophobicContact CD1-CG2 4.18Å; T216-L238 CarbonylContact C-O 3.51Å; T216-L238 VanDerWaalsContact CA-O 3.32Å; T216-L238 WeakPolarHBondContact CA-O 3.01Å; T216-V239 HydrophobicContact CG2-CG2 4.11Å
217	M	97.9	Very high	96.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.6	-178.6	68	-160.5	67.4	0	0	112.3	V142 I197 M200 I215 L221 S237 L238 F240	V142-M217 HydrophobicContact CG2-CB 4.37Å; I197-M217 HydrophobicContact CD1-CE 4.49Å; I197-M217 HydrophobicContact CD1-SD 3.58Å; I197-M217 VanDerWaalsContact CD1-SD 3.58Å; I197-M217 HydrophobicContact CG1-SD 4.18Å; M200-M217 HydrophobicContact CG-CE 3.92Å; M200-M217 HydrophobicContact SD-CE 3.82Å; I215-M217 HydrophobicContact CG2-CE 3.65Å; M217-L221 HydrophobicContact CB-CB 4.24Å; M217-S237 WeakPolarHBondContact O-CA 3.05Å; M217-L238 HydrophobicContact CG-CB 3.97Å; M217-L238 HydrophobicContact CG-CG 4.46Å; M217-L238 PolarHBondContact N-O 2.76Å; M217-L238 PolarHBondContact O-N 3.01Å; M217-L238 HydrophobicContact SD-CB 4.38Å; M217-L238 HydrophobicContact SD-CD1 4.27Å; M217-F240 HydrophobicContact CE-CD2 3.66Å; M217-F240 HydrophobicContact CE-CE2 3.93Å; M217-F240 HydrophobicContact SD-CE2 4.28Å
218	P	97.4	Very high	96.7	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.032	24%	0.243	C	C	.	.			trans	-71.1	166.3	172.4	32.9	-37.3	0	0	0	111	W136 D140 S220 L221 G222	W136-P218 HydrophobicContact CB-CB 4.36Å; D140-P218 HydrophobicContact CB-CB 4.24Å; D140-P218 HydrophobicContact CB-CG 4.14Å; D140-P218 WeakPolarHBondContact O-CG 3.1Å; P218-S220 PolarHBondContact O-N 3.06Å; P218-S220 VanDerWaalsContact O-N 3.16Å; P218-L221 HydrophobicContact CG-CD1 4.21Å; P218-L221 HydrophobicContact CG-CG 4.28Å; P218-L221 PolarHBondContact O-N 2.88Å; P218-G222 PolarHBondContact O-N 2.77Å
219	P	97.3	Very high	96.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-58.4	-34.4	-176.6	-20.1	28.4	0	0	0	113.3	W136 L221 G222 G224 Q235 A236	W136-P219 HydrophobicContact CD2-CG 4.08Å; W136-P219 HydrophobicContact CG-CG 4.23Å; W136-P219 HydrophobicContact CZ2-CG 4.07Å; W136-P219 VanDerWaalsContact NE1-CG 3.35Å; P219-L221 PolarHBondContact O-N 2.76Å; P219-L221 VanDerWaalsContact O-N 3.14Å; P219-G222 CarbonylContact O-C 3.42Å; P219-G222 PolarHBondContact O-N 3.41Å; P219-G224 WeakPolarHBondContact O-CA 3.35Å; P219-G224 PolarHBondContact O-N 3.34Å; P219-Q235 HydrophobicContact CG-CB 4.48Å; P219-Q235 VanDerWaalsContact CG-O 3.24Å; P219-Q235 WeakPolarHBondContact CG-O 3.17Å; P219-A236 WeakPolarHBondContact CG-O 3.43Å
220	S	96.9	Very high	96.2	Very high	82 Å²	82	51.8 Å²	51.8	57%	0.573	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-60.2	-22	178.8	56.2	0	0	0	0	114.1	P218	P218-S220 PolarHBondContact O-N 3.06Å; P218-S220 VanDerWaalsContact O-N 3.16Å
221	L	97.9	Very high	96.1	Very high	32 Å²	32	55.5 Å²	55.5	17%	0.168	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-107.6	-1.2	176.6	-61	179.6	0	0	0	112.7	V142 A198 G199 M217 P218 P219	V142-L221 HydrophobicContact CG2-CD1 3.58Å; A198-L221 HydrophobicContact CB-CD2 4.04Å; A198-L221 PolarHBondContact N-O 2.92Å; G199-L221 PolarHBondContact N-O 3.25Å; M217-L221 HydrophobicContact CB-CB 4.24Å; P218-L221 HydrophobicContact CG-CD1 4.21Å; P218-L221 HydrophobicContact CG-CG 4.28Å; P218-L221 PolarHBondContact O-N 2.88Å; P219-L221 PolarHBondContact O-N 2.76Å; P219-L221 VanDerWaalsContact O-N 3.14Å
222	G	97.2	Very high	96.1	Very high	18 Å²	18	55.6 Å²	55.6	19%	0.186	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-118.8	173.3	0	0	0	0	0	111.5	P218 P219	P218-G222 PolarHBondContact O-N 2.77Å; P219-G222 CarbonylContact O-C 3.42Å; P219-G222 PolarHBondContact O-N 3.41Å
223	Y	97.1	Very high	95.9	Very high	85 Å²	85	52.4 Å²	52.4	33%	0.333	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8.3	-176.1	-63	-81.1	0	0	0	114.6	I197 G227 D228 I232 L238	I197-Y223 HydrophobicContact CD1-CE2 4.35Å; I197-Y223 HydrophobicContact CG2-CD1 4.43Å; I197-Y223 HydrophobicContact CG2-CE1 4.07Å; I197-Y223 HydrophobicContact CG2-CE2 4.37Å; Y223-G227 PolarHBondContact O-N 3.28Å; Y223-D228 HydrophobicContact CD1-CB 3.52Å; Y223-D228 HydrophobicContact CD2-CB 4.25Å; Y223-D228 HydrophobicContact CE1-CB 3.7Å; Y223-D228 WeakPolarHBondContact CE1-OD2 3.1Å; Y223-D228 HydrophobicContact CE2-CB 4.48Å; Y223-D228 HydrophobicContact CG-CB 3.78Å; Y223-I232 HydrophobicContact CD2-CD1 3.55Å; Y223-I232 HydrophobicContact CD2-CG2 3.97Å; Y223-I232 HydrophobicContact CE2-CD1 3.25Å; Y223-L238 HydrophobicContact CD2-CD1 3.62Å; Y223-L238 HydrophobicContact CE2-CD1 3.76Å
224	G	95.6	Very high	95.8	Very high	21 Å²	21	52.6 Å²	52.6	22%	0.216	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	-150.4	171.5	0	0	0	0	0	114.7	P219 N226 Q235	P219-G224 WeakPolarHBondContact O-CA 3.35Å; P219-G224 PolarHBondContact O-N 3.34Å; G224-N226 VanDerWaalsContact C-N 3.27Å; G224-N226 PolarHBondContact O-N 3Å; G224-Q235 PolarHBondContact O-N 2.02Å
225	E	94.1	Very high	95.6	Very high	146 Å²	146	51.6 Å²	51.6	68%	0.682	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.5	-173.5	-48	-160.5	135.5	0	0	113.4	G234 Q235	E225-G234 WeakPolarHBondContact O-CA 3.47Å; E225-Q235 VanDerWaalsContact CG-NE2 3.34Å; E225-Q235 PolarHBondContact OE1-NE2 3.34Å
226	N	94.3	Very high	95.5	Very high	155 Å²	155	51.8 Å²	51.8	83%	0.829	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-24.2	-173.8	-63.9	-38.6	0	0	0	112.9	G224	G224-N226 VanDerWaalsContact C-N 3.27Å; G224-N226 PolarHBondContact O-N 3Å
227	G	94.8	Very high	95.5	Very high	16 Å²	16	50.1 Å²	50.1	17%	0.165	31%	0.311	C	S	.	.			trans	71.9	-161.6	-173	0	0	0	0	0	112.1	Y223 I232	Y223-G227 PolarHBondContact O-N 3.28Å; G227-I232 CarbonylContact C-O 3.32Å; G227-I232 VanDerWaalsContact CA-O 3.3Å; G227-I232 WeakPolarHBondContact CA-O 3.34Å
228	D	95.8	Very high	95.5	Very high	84 Å²	84	50 Å²	50	45%	0.449	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-143.1	122.5	178.4	-170.9	23	0	0	0	111.5	Y223 I232	Y223-D228 HydrophobicContact CD1-CB 3.52Å; Y223-D228 HydrophobicContact CD2-CB 4.25Å; Y223-D228 HydrophobicContact CE1-CB 3.7Å; Y223-D228 WeakPolarHBondContact CE1-OD2 3.1Å; Y223-D228 HydrophobicContact CE2-CB 4.48Å; Y223-D228 HydrophobicContact CG-CB 3.78Å; D228-I232 HydrophobicContact CB-CB 4.23Å; D228-I232 HydrophobicContact CB-CD1 4.3Å; D228-I232 PolarHBondContact N-O 3.42Å; D228-I232 PolarHBondContact O-N 3.15Å; D228-I232 VanDerWaalsContact O-N 3.12Å
229	G	92.3	Very high	95.5	Very high	75 Å²	75	50.8 Å²	50.8	77%	0.773	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	-144.7	-178.9	0	0	0	0	0	114.1
230	S	88.9	Confident	95.6	Very high	109 Å²	109	51.3 Å²	51.3	76%	0.762	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.1	174.1	48.8	0	0	0	0	113.5
231	D	93.2	Very high	95.6	Very high	100 Å²	100	50.2 Å²	50.2	54%	0.535	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-26.6	-162.1	-53.2	-27.4	0	0	0	111.4	F177	F177-D231 HydrophobicContact CB-CB 4.11Å
232	I	96.6	Very high	95.7	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.041	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-117.4	104.1	178.3	-54.3	179.9	0	0	0	109	F177 Y223 G227 D228 A236 L238	F177-I232 HydrophobicContact CB-CG1 4.25Å; F177-I232 HydrophobicContact CD1-CG1 4.28Å; F177-I232 HydrophobicContact CD2-CD1 3.69Å; F177-I232 HydrophobicContact CD2-CG1 3.91Å; F177-I232 HydrophobicContact CE1-CD1 4.46Å; F177-I232 HydrophobicContact CE2-CD1 3.68Å; F177-I232 HydrophobicContact CE2-CG1 4.35Å; F177-I232 HydrophobicContact CG-CD1 4.15Å; F177-I232 HydrophobicContact CG-CG1 3.9Å; F177-I232 HydrophobicContact CZ-CD1 4.08Å; Y223-I232 HydrophobicContact CD2-CD1 3.55Å; Y223-I232 HydrophobicContact CD2-CG2 3.97Å; Y223-I232 HydrophobicContact CE2-CD1 3.25Å; G227-I232 CarbonylContact C-O 3.32Å; G227-I232 VanDerWaalsContact CA-O 3.3Å; G227-I232 WeakPolarHBondContact CA-O 3.34Å; D228-I232 HydrophobicContact CB-CB 4.23Å; D228-I232 HydrophobicContact CB-CD1 4.3Å; D228-I232 PolarHBondContact N-O 3.42Å; D228-I232 PolarHBondContact O-N 3.15Å; D228-I232 VanDerWaalsContact O-N 3.12Å; I232-A236 HydrophobicContact CG2-CB 4.24Å; I232-L238 HydrophobicContact CD1-CD2 4.44Å; I232-L238 HydrophobicContact CG2-CD2 3.79Å
233	P	94.8	Very high	95.7	Very high	55 Å²	55	48.9 Å²	48.9	36%	0.357	29%	0.294	S	S	.	.			trans	-68.4	156.1	177.5	-15.6	28.7	0	0	0	111.8	R52 A236	R52-P233 VanDerWaalsContact NH1-CB 3.35Å; P233-A236 WeakPolarHBondContact O-CB 3.46Å; P233-A236 PolarHBondContact O-N 3.25Å
234	G	94.8	Very high	95.7	Very high	19 Å²	19	44.8 Å²	44.8	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	146.7	171.1	0	0	0	0	0	112.9	E225 A236	E225-G234 WeakPolarHBondContact O-CA 3.47Å; G234-A236 PolarHBondContact O-N 2.72Å
235	Q	94.7	Very high	95.7	Very high	32 Å²	32	45.5 Å²	45.5	15%	0.15	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	23.1	-178.1	-54	-73.1	8.9	0	0	114.2	F50 W136 P219 G224 E225	F50-Q235 HydrophobicContact CE1-CB 3.66Å; F50-Q235 HydrophobicContact CE1-CG 4.26Å; F50-Q235 HydrophobicContact CZ-CB 3.76Å; F50-Q235 HydrophobicContact CZ-CG 3.83Å; W136-Q235 HydrophobicContact CZ2-CB 4.38Å; W136-Q235 PolarHBondContact NE1-O 2.83Å; W136-Q235 VanDerWaalsContact NE1-O 3.11Å; P219-Q235 HydrophobicContact CG-CB 4.48Å; P219-Q235 VanDerWaalsContact CG-O 3.24Å; P219-Q235 WeakPolarHBondContact CG-O 3.17Å; G224-Q235 PolarHBondContact O-N 2.02Å; E225-Q235 VanDerWaalsContact CG-NE2 3.34Å; E225-Q235 PolarHBondContact OE1-NE2 3.34Å
236	A	96.2	Very high	95.7	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.033	25%	0.246	C	C	.	.			trans	-83.8	132.6	176	0	0	0	0	0	112.6	D134 L171 P219 I232 P233 G234	D134-A236 WeakPolarHBondContact OD2-CA 3.31Å; L171-A236 HydrophobicContact CD2-CB 4.09Å; P219-A236 WeakPolarHBondContact CG-O 3.43Å; I232-A236 HydrophobicContact CG2-CB 4.24Å; P233-A236 WeakPolarHBondContact O-CB 3.46Å; P233-A236 PolarHBondContact O-N 3.25Å; G234-A236 PolarHBondContact O-N 2.72Å
237	S	97.1	Very high	95.8	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.028	21%	0.207	C	C	.	.			trans	-75.7	142.6	163.5	-51.3	0	0	0	0	109.5	D134 M217	D134-S237 VanDerWaalsContact OD1-CB 3.22Å; D134-S237 WeakPolarHBondContact OD1-CB 3.31Å; D134-S237 PolarHBondContact OD1-OG 2.7Å; D134-S237 PolarHBondContact OD2-N 2.96Å; M217-S237 WeakPolarHBondContact O-CA 3.05Å
238	L	98	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.4	-177.8	-48.4	176.3	0	0	0	110.5	L171 F177 I197 T216 M217 Y223 I232 F240	L171-L238 HydrophobicContact CD2-CD2 4.28Å; F177-L238 HydrophobicContact CE1-CD2 3.97Å; F177-L238 HydrophobicContact CZ-CD2 4.29Å; I197-L238 HydrophobicContact CD1-CD1 3.78Å; T216-L238 CarbonylContact C-O 3.51Å; T216-L238 VanDerWaalsContact CA-O 3.32Å; T216-L238 WeakPolarHBondContact CA-O 3.01Å; M217-L238 HydrophobicContact CG-CB 3.97Å; M217-L238 HydrophobicContact CG-CG 4.46Å; M217-L238 PolarHBondContact N-O 2.76Å; M217-L238 PolarHBondContact O-N 3.01Å; M217-L238 HydrophobicContact SD-CB 4.38Å; M217-L238 HydrophobicContact SD-CD1 4.27Å; Y223-L238 HydrophobicContact CD2-CD1 3.62Å; Y223-L238 HydrophobicContact CE2-CD1 3.76Å; I232-L238 HydrophobicContact CD1-CD2 4.44Å; I232-L238 HydrophobicContact CG2-CD2 3.79Å; L238-F240 HydrophobicContact CB-CD2 4.3Å; L238-F240 HydrophobicContact CB-CE2 3.78Å; L238-F240 HydrophobicContact CD1-CE2 3.98Å; L238-F240 HydrophobicContact CD1-CZ 4.42Å
239	V	98	Very high	95.7	Very high	21 Å²	21	28.6 Å²	28.6	13%	0.127	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.6	175.2	-175.1	0	0	0	0	108.3	G169 T170 L172 I214 I215 T216	G169-V239 WeakPolarHBondContact CA-O 3.37Å; T170-V239 PolarHBondContact N-O 3.43Å; T170-V239 PolarHBondContact O-N 2.98Å; L172-V239 HydrophobicContact CD1-CG2 3.8Å; I214-V239 HydrophobicContact CG2-CG1 3.5Å; I214-V239 VanDerWaalsContact CG2-CG1 3.5Å; I215-V239 CarbonylContact O-C 3.56Å; I215-V239 WeakPolarHBondContact O-CA 3.49Å; T216-V239 HydrophobicContact CG2-CG2 4.11Å
240	F	98.6	Very high	95.6	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.1	175.5	-70.2	-91.3	0	0	0	109.9	Y167 N168 F177 I197 M200 I214 I215 M217 L238 V242	Y167-F240 AromaticContact CD2-CD1 3.6Å; Y167-F240 HydrophobicContact CD2-CD1 3.6Å; Y167-F240 AromaticContact CD2-CE1 3.85Å; Y167-F240 HydrophobicContact CD2-CE1 3.85Å; Y167-F240 HydrophobicContact CE2-CD1 4.1Å; Y167-F240 AromaticContact CE2-CE1 3.84Å; Y167-F240 HydrophobicContact CE2-CE1 3.84Å; Y167-F240 HydrophobicContact CG-CD1 4.2Å; N168-F240 WeakPolarHBondContact O-CA 3.46Å; F177-F240 HydrophobicContact CE2-CE1 4.28Å; F177-F240 HydrophobicContact CE2-CZ 4.18Å; F177-F240 AromaticContact CZ-CE1 3.95Å; F177-F240 HydrophobicContact CZ-CE1 3.95Å; F177-F240 HydrophobicContact CZ-CE2 4.29Å; F177-F240 AromaticContact CZ-CZ 3.65Å; F177-F240 HydrophobicContact CZ-CZ 3.65Å; I197-F240 HydrophobicContact CD1-CE2 3.88Å; I197-F240 HydrophobicContact CD1-CZ 4.09Å; M200-F240 HydrophobicContact CE-CB 4.34Å; M200-F240 HydrophobicContact CE-CD1 4.46Å; M200-F240 HydrophobicContact CE-CG 4.3Å; M200-F240 HydrophobicContact CG-CD2 4.18Å; M200-F240 HydrophobicContact CG-CE2 4.12Å; M200-F240 HydrophobicContact CG-CZ 4.46Å; M200-F240 HydrophobicContact SD-CB 3.75Å; M200-F240 HydrophobicContact SD-CD1 4.09Å; M200-F240 HydrophobicContact SD-CD2 3.47Å; M200-F240 WeakPolarHBondContact SD-CD2 3.32Å; M200-F240 HydrophobicContact SD-CE2 4.01Å; M200-F240 HydrophobicContact SD-CG 3.5Å; M200-F240 WeakPolarHBondContact SD-CG 3.47Å; I214-F240 CarbonylContact C-O 3.57Å; I214-F240 VanDerWaalsContact CA-O 3.32Å; I214-F240 WeakPolarHBondContact CA-O 3.48Å; I215-F240 HydrophobicContact CB-CB 4.44Å; I215-F240 PolarHBondContact N-O 2.92Å; I215-F240 PolarHBondContact O-N 3.34Å; M217-F240 HydrophobicContact CE-CD2 3.66Å; M217-F240 HydrophobicContact CE-CE2 3.93Å; M217-F240 HydrophobicContact SD-CE2 4.28Å; L238-F240 HydrophobicContact CB-CD2 4.3Å; L238-F240 HydrophobicContact CB-CE2 3.78Å; L238-F240 HydrophobicContact CD1-CE2 3.98Å; L238-F240 HydrophobicContact CD1-CZ 4.42Å; F240-V242 HydrophobicContact CB-CG2 3.92Å
241	D	98.6	Very high	95.8	Very high	59 Å²	59	33.4 Å²	33.4	32%	0.316	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.2	166.3	-178.8	13.7	0	0	0	108.4	Y147 Y167 N168 I214	Y147-D241 WeakPolarHBondContact CE1-OD1 3.3Å; Y147-D241 PolarHBondContact OH-OD1 3.26Å; Y147-D241 PolarHBondContact OH-OD2 2.92Å; Y167-D241 CarbonylContact C-O 3.58Å; Y167-D241 WeakPolarHBondContact CA-O 3.22Å; N168-D241 PolarHBondContact N-O 2.6Å; N168-D241 PolarHBondContact O-N 2.86Å; I214-D241 HydrophobicContact CG1-CB 4.49Å
242	V	98.6	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.7	-166.9	179.8	0	0	0	0	111	Y165 H166 M200 L204 M207 R212 R213 I215 F240	Y165-V242 HydrophobicContact CD2-CG1 3.7Å; Y165-V242 HydrophobicContact CE2-CG1 4.48Å; Y165-V242 HydrophobicContact CG-CG1 4.09Å; H166-V242 WeakPolarHBondContact O-CA 3.29Å; M200-V242 HydrophobicContact CE-CG2 4.03Å; L204-V242 HydrophobicContact CD2-CG1 3.87Å; M207-V242 HydrophobicContact CE-CG1 4.09Å; M207-V242 HydrophobicContact SD-CG1 4.12Å; R212-V242 WeakPolarHBondContact CA-O 3.3Å; R213-V242 PolarHBondContact N-O 2.88Å; R213-V242 PolarHBondContact O-N 2.91Å; I215-V242 HydrophobicContact CD1-CG2 4Å; F240-V242 HydrophobicContact CB-CG2 3.92Å
243	V	97.9	Very high	95.8	Very high	21 Å²	21	32.9 Å²	32.9	13%	0.127	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.6	163.9	59	0	0	0	0	110.3	Y165 H166 E211 R212 L245	Y165-V243 VanDerWaalsContact CA-O 3.25Å; Y165-V243 WeakPolarHBondContact CA-O 3.33Å; Y165-V243 WeakPolarHBondContact CB-O 3.35Å; H166-V243 HydrophobicContact CB-CG1 3.69Å; H166-V243 PolarHBondContact N-O 3.37Å; H166-V243 PolarHBondContact O-N 2.89Å; E211-V243 WeakPolarHBondContact O-CA 3.19Å; R212-V243 HydrophobicContact CG-CB 3.99Å; R212-V243 HydrophobicContact CG-CG2 3.88Å; V243-L245 HydrophobicContact CG1-CD2 4.39Å; V243-L245 HydrophobicContact CG2-CD2 4.13Å
244	L	97.6	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.4	176.1	-174.7	68.5	0	0	0	109.9	V157 V163 M207 V209 G210 E211 D246	V157-L244 HydrophobicContact CG2-CD1 4.48Å; V157-L244 HydrophobicContact CG2-CD2 3.48Å; V157-L244 VanDerWaalsContact CG2-CD2 3.48Å; V163-L244 HydrophobicContact CB-CD1 3.79Å; V163-L244 HydrophobicContact CG1-CD1 4Å; M207-L244 HydrophobicContact CB-CB 4.41Å; M207-L244 HydrophobicContact CB-CD2 3.68Å; M207-L244 HydrophobicContact CE-CB 3.73Å; M207-L244 HydrophobicContact SD-CB 4.34Å; V209-L244 HydrophobicContact CG2-CD2 4.12Å; V209-L244 HydrophobicContact CG2-CG 4.35Å; G210-L244 WeakPolarHBondContact CA-O 3.49Å; G210-L244 PolarHBondContact N-O 2.88Å; E211-L244 PolarHBondContact O-N 2.67Å; E211-L244 VanDerWaalsContact O-N 3.14Å; L244-D246 WeakPolarHBondContact CD1-O 3.3Å
245	L	95	Very high	95.9	Very high	36 Å²	36	33.2 Å²	33.2	19%	0.188	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-31.6	-177.3	-57	178.1	0	0	0	112.7	R164 T186 V209 V243	R164-L245 WeakPolarHBondContact O-CA 3.39Å; R164-L245 WeakPolarHBondContact O-CB 3.39Å; R164-L245 PolarHBondContact O-N 2.86Å; T186-L245 HydrophobicContact CG2-CD1 3.57Å; V209-L245 VanDerWaalsContact CG1-O 3.22Å; V209-L245 WeakPolarHBondContact CG1-O 3.28Å; V243-L245 HydrophobicContact CG1-CD2 4.39Å; V243-L245 HydrophobicContact CG2-CD2 4.13Å
246	D	95.1	Very high	96	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.6	-177.2	-146.7	-24.2	0	0	0	111.8	V163 R164 L244 L284 A348 V349	V163-D246 WeakPolarHBondContact CA-O 3.49Å; R164-D246 HydrophobicContact CB-CB 3.8Å; R164-D246 HydrophobicContact CG-CB 4.03Å; R164-D246 PolarHBondContact N-O 3.35Å; R164-D246 PolarHBondContact O-N 3.04Å; R164-D246 VanDerWaalsContact O-N 3.1Å; L244-D246 WeakPolarHBondContact CD1-O 3.3Å; D246-L284 WeakPolarHBondContact OD1-CD2 3.41Å; D246-A348 VanDerWaalsContact OD2-CA 3.24Å; D246-A348 WeakPolarHBondContact OD2-CA 3.12Å; D246-V349 VanDerWaalsContact OD1-CB 3.3Å; D246-V349 WeakPolarHBondContact OD1-CB 3.46Å; D246-V349 WeakPolarHBondContact OD1-CG2 3.35Å; D246-V349 PolarHBondContact OD2-N 2.82Å
247	L	94.9	Very high	95.9	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	124.1	-175.4	171.5	60.2	0	0	0	110.9	R155 V157 D161 F162 V163 V209 L284	R155-L247 HydrophobicContact CG-CD2 3.91Å; V157-L247 HydrophobicContact CB-CD1 4.45Å; V157-L247 HydrophobicContact CG2-CD1 4.07Å; V157-L247 HydrophobicContact CG2-CD2 4.07Å; D161-L247 HydrophobicContact CB-CD1 3.47Å; D161-L247 VanDerWaalsContact CB-CD1 3.47Å; D161-L247 WeakPolarHBondContact OD2-CD1 3.5Å; F162-L247 WeakPolarHBondContact O-CA 3.41Å; V163-L247 HydrophobicContact CG1-CD1 3.88Å; V209-L247 HydrophobicContact CG2-CB 3.73Å; L247-L284 HydrophobicContact CB-CD2 4.39Å; L247-L284 WeakPolarHBondContact O-CD2 3.28Å
248	H	95.3	Very high	95.6	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.06	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.2	164.9	68.7	-78.8	0	0	0	112.4	F162 P331 V349	F162-H248 AromaticContact CD1-CE1 3.19Å; F162-H248 WeakPolarHBondContact CD1-CE1 3.41Å; F162-H248 AromaticContact CD1-ND1 3.67Å; F162-H248 AromaticContact CE1-CE1 3.92Å; F162-H248 AromaticContact CG-CE1 3.61Å; F162-H248 PolarHBondContact N-O 3.09Å; F162-H248 PolarHBondContact O-N 2.75Å; H248-P331 VanDerWaalsContact CE1-CG 3.49Å; H248-P331 WeakPolarHBondContact CE1-CG 3.17Å; H248-V349 HydrophobicContact CB-CG2 3.63Å
249	N	94.4	Very high	95.3	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.123	26%	0.26	C	S	.	.			trans	-96.4	138.1	163.1	-159.8	-82.3	0	0	0	109	S160 D161 R251 D252	S160-N249 PolarHBondContact OG-ND2 3.47Å; D161-N249 PolarHBondContact OD1-ND2 3.04Å; N249-R251 PolarHBondContact O-N 3.26Å; N249-R251 WeakPolarHBondContact OD1-CB 3.46Å; N249-R251 PolarHBondContact OD1-N 3.24Å; N249-D252 WeakPolarHBondContact CB-OD1 3.19Å; N249-D252 PolarHBondContact N-OD2 2.92Å; N249-D252 WeakPolarHBondContact O-CB 3.37Å; N249-D252 PolarHBondContact O-N 2.94Å
250	P	90.5	Very high	94.9	Very high	56 Å²	56	50.7 Å²	50.7	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.5	173.8	-27	35	0	0	0	114.8	Y190 H332	Y190-P250 HydrophobicContact CE1-CG 3.6Å; P250-H332 PolarHBondContact O-CE1 3Å
251	R	92.6	Very high	94.5	Very high	229 Å²	229	53.5 Å²	53.5	86%	0.864	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-2.8	177.2	-59.7	179.9	176.9	169.6	1.4	114	N249	N249-R251 PolarHBondContact O-N 3.26Å; N249-R251 WeakPolarHBondContact OD1-CB 3.46Å; N249-R251 PolarHBondContact OD1-N 3.24Å
252	D	92.8	Very high	93.9	Very high	50 Å²	50	52.5 Å²	52.5	27%	0.267	29%	0.291	S	S	.	.			trans	-63.7	141.1	179.3	-69.6	-23.1	0	0	0	110.7	R155 N249 P330 H332	R155-D252 IonicContact CZ-OD2 2.71Å; R155-D252 IonicContact NH1-OD1 3.55Å; R155-D252 IonicContact NH1-OD2 3.99Å; R155-D252 PolarHBondContact NH1-OD2 2.96Å; R155-D252 IonicContact NH2-OD2 3.42Å; N249-D252 WeakPolarHBondContact CB-OD1 3.19Å; N249-D252 PolarHBondContact N-OD2 2.92Å; N249-D252 WeakPolarHBondContact O-CB 3.37Å; N249-D252 PolarHBondContact O-N 2.94Å; D252-P330 HydrophobicContact CB-CB 4.27Å; D252-P330 HydrophobicContact CB-CG 4.38Å; D252-P330 WeakPolarHBondContact O-CG 3.35Å; D252-H332 PolarHBondContact O-CE1 3.13Å; D252-H332 PolarHBondContact O-NE2 3.37Å
253	G	95.8	Very high	93	Very high	47 Å²	47	62.3 Å²	62.3	49%	0.485	34%	0.337	S	S	.	.			trans	-93.8	-170	164.8	0	0	0	0	0	111.5	A255 P330	G253-A255 PolarHBondContact O-N 3.27Å; G253-P330 WeakPolarHBondContact O-CD 3.36Å
254	V	96.7	Very high	92	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.182	36%	0.362	C	S	.	.			trans	-66.3	129.8	168.4	-177.5	0	0	0	0	109.9	V256 G311 E314 I327 L333	V254-V256 HydrophobicContact CG1-CG2 4.05Å; V254-G311 VanDerWaalsContact CG2-CA 3.41Å; V254-E314 HydrophobicContact CG2-CB 3.98Å; V254-E314 WeakPolarHBondContact CG2-OE2 3.49Å; V254-I327 HydrophobicContact CG1-CG2 3.48Å; V254-I327 VanDerWaalsContact CG1-CG2 3.48Å; V254-L333 HydrophobicContact CG2-CD1 3.63Å
255	A	95.6	Very high	91.3	Very high	51 Å²	51	67.8 Å²	67.8	42%	0.421	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.5	170.3	0	0	0	0	0	110	G253 T328	G253-A255 PolarHBondContact O-N 3.27Å; A255-T328 PolarHBondContact N-O 2.85Å; A255-T328 PolarHBondContact O-N 3.25Å
256	V	96	Very high	90.7	Very high	62 Å²	62	72.1 Å²	72.1	38%	0.376	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	178.8	179.6	0	0	0	0	109.5	V254 R325 T326	V254-V256 HydrophobicContact CG1-CG2 4.05Å; V256-R325 HydrophobicContact CG1-CB 4.38Å; V256-T326 WeakPolarHBondContact CA-O 3.37Å
257	T	94.7	Very high	90.3	Very high	86 Å²	86	75.8 Å²	75.8	53%	0.528	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.2	173.9	-57.4	0	0	0	0	109.5	Q259 R325 T326	T257-Q259 PolarHBondContact O-N 2.92Å; T257-R325 CarbonylContact O-C 3.47Å; T257-R325 VanDerWaalsContact O-CA 3.32Å; T257-R325 WeakPolarHBondContact O-CA 3.48Å; T257-T326 PolarHBondContact N-O 2.9Å; T257-T326 PolarHBondContact O-N 2.74Å
258	N	91.7	Very high	90.3	Very high	83 Å²	83	81 Å²	81	44%	0.444	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.1	177.3	-65.2	11.9	0	0	0	109.4	V261 E323	N258-V261 HydrophobicContact CB-CG2 3.85Å; N258-E323 PolarHBondContact ND2-OE1 3.32Å; N258-E323 PolarHBondContact OD1-OE1 2.95Å
259	Q	90.4	Very high	90.4	Very high	103 Å²	103	80.5 Å²	80.5	48%	0.481	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-49.6	176.8	-62.1	-175.7	-19.4	0	0	110.6	T257 R324 T326 D353	T257-Q259 PolarHBondContact O-N 2.92Å; Q259-R324 WeakPolarHBondContact CA-O 3.15Å; Q259-R324 HydrophobicContact CB-CB 4.26Å; Q259-R324 WeakPolarHBondContact CB-O 3.31Å; Q259-R324 PolarHBondContact N-O 3.31Å; Q259-T326 PolarHBondContact NE2-OG1 2.66Å; Q259-D353 PolarHBondContact NE2-OD1 2.64Å
260	I	91.4	Very high	90.5	Very high	94 Å²	94	85.9 Å²	85.9	48%	0.482	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	120.7	-179.5	-56.8	-178.6	0	0	0	107.8	E323 R324	I260-E323 WeakPolarHBondContact O-CA 3.4Å; I260-E323 WeakPolarHBondContact O-CG 3.45Å; I260-R324 HydrophobicContact CB-CB 4.17Å; I260-R324 HydrophobicContact CG1-CB 4.47Å; I260-R324 PolarHBondContact N-O 3.26Å; I260-R324 PolarHBondContact O-N 3.32Å
261	V	89.1	Confident	90.7	Very high	70 Å²	70	88 Å²	88	42%	0.424	47%	0.473	S	S	.	.			trans	-112.4	117.2	170.4	-173.3	0	0	0	0	107.6	N258 E323	N258-V261 HydrophobicContact CB-CG2 3.85Å; V261-E323 HydrophobicContact CG2-CG 4.18Å
262	P	85.6	Confident	90.9	Very high	37 Å²	37	77.1 Å²	77.1	24%	0.24	43%	0.433	C	S	.	.			trans	-57.8	144.8	175.8	-29.5	39.5	0	0	0	111.7	S264 I321	P262-S264 PolarHBondContact O-N 2.74Å; P262-I321 WeakPolarHBondContact CG-O 3.46Å
263	E	80.4	Confident	91.1	Very high	208 Å²	208	74.8 Å²	74.8	97%	0.972	42%	0.42	S	S	*	.	S	Bend	trans	-57.9	-36.7	-178.5	-68	-173.7	165.9	0	0	112.3	C265	E263-C265 PolarHBondContact O-N 2.97Å
264	S	76.8	Confident	91	Very high	93 Å²	93	73.5 Å²	73.5	65%	0.65	40%	0.401	S	S	*	.			trans	-93.7	88.7	175.9	60.3	0	0	0	0	110.8	P262	P262-S264 PolarHBondContact O-N 2.74Å
265	C	83.8	Confident	91	Very high	42 Å²	42	72 Å²	72	28%	0.284	39%	0.393	S	S	.	.			trans	-106.1	76.2	168.6	-175.6	0	0	0	0	110.6	E263 K268 C320	E263-C265 PolarHBondContact O-N 2.97Å; C265-K268 VanDerWaalsContact SG-CG 3.55Å; C265-C320 HydrophobicContact CB-CB 3.75Å; C265-C320 WeakPolarHBondContact CB-SG 3.16Å; C265-C320 WeakPolarHBondContact SG-CB 3.35Å; C265-C320 CovalentContact SG-SG 2.02Å; C265-C320 PolarHBondContact SG-SG 2.97Å
266	V	81.7	Confident	90.9	Very high	128 Å²	128	70 Å²	70	78%	0.776	37%	0.374	S	S	*	.			trans	-72.3	-36.1	-177.2	-175.9	0	0	0	0	111.5
267	R	87.4	Confident	90.9	Very high	82 Å²	82	67.3 Å²	67.3	31%	0.309	36%	0.357	S	S	.	.			trans	-132.1	148.8	178	-176.3	-176.1	165.4	-167.8	1.9	109.8	D273 F359 D364	R267-D273 IonicContact CZ-OD2 2.83Å; R267-D273 IonicContact NE-OD2 3.74Å; R267-D273 IonicContact NH2-OD1 3.04Å; R267-D273 PolarHBondContact NH2-OD1 2.91Å; R267-D273 IonicContact NH2-OD2 3.66Å; R267-D273 PolarHBondContact NH2-OD2 3.42Å; R267-F359 HydrophobicContact CG-CE2 3.84Å; R267-F359 HydrophobicContact CG-CZ 4.21Å; R267-D364 IonicContact CZ-OD2 2.82Å; R267-D364 IonicContact NH1-OD1 3.04Å; R267-D364 IonicContact NH1-OD2 3.69Å; R267-D364 PolarHBondContact NH1-OD2 2.98Å; R267-D364 IonicContact NH2-OD1 2.61Å; R267-D364 IonicContact NH2-OD2 3.11Å; R267-D364 PolarHBondContact NH2-OD2 2.63Å
268	K	94.5	Very high	91	Very high	114 Å²	114	64.8 Å²	64.8	50%	0.496	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-117.9	154.6	171	-66.8	-177.3	178.3	-173.8	0	110.4	C265 V319 F359	C265-K268 VanDerWaalsContact SG-CG 3.55Å; K268-V319 CarbonylContact C-O 3.42Å; K268-V319 WeakPolarHBondContact CA-O 3.12Å; K268-F359 VanDerWaalsContact C-CZ 3.48Å
269	T	96.2	Very high	91.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	32%	0.321	C	S	.	.			trans	-61.4	136.4	174.8	51.2	0	0	0	0	111.7	D273 V275 L316 G318 V319 M356 F359	T269-D273 WeakPolarHBondContact CA-OD2 3.13Å; T269-V275 HydrophobicContact CG2-CG1 3.68Å; T269-L316 WeakPolarHBondContact CB-O 3.49Å; T269-L316 PolarHBondContact OG1-O 3.1Å; T269-G318 PolarHBondContact O-N 3.41Å; T269-G318 PolarHBondContact OG1-N 2.84Å; T269-V319 HydrophobicContact CG2-CB 4.11Å; T269-V319 PolarHBondContact N-O 3.23Å; T269-V319 PolarHBondContact OG1-N 2.88Å; T269-M356 HydrophobicContact CG2-CE 4.3Å; T269-F359 HydrophobicContact CG2-CB 4.14Å; T269-F359 HydrophobicContact CG2-CD1 3.39Å; T269-F359 HydrophobicContact CG2-CD2 3.83Å; T269-F359 HydrophobicContact CG2-CE1 3.58Å; T269-F359 HydrophobicContact CG2-CE2 4Å; T269-F359 HydrophobicContact CG2-CG 3.53Å; T269-F359 HydrophobicContact CG2-CZ 3.9Å
270	E	96.3	Very high	91.7	Very high	136 Å²	136	59.6 Å²	59.6	64%	0.636	31%	0.314	S	S	*	.			trans	-122.8	168.2	173.5	-62.4	-173.1	164	0	0	111.2	G272 D273	E270-G272 PolarHBondContact O-N 3.15Å; E270-D273 PolarHBondContact N-OD2 2.85Å; E270-D273 WeakPolarHBondContact O-CB 3.21Å; E270-D273 PolarHBondContact O-N 2.88Å; E270-D273 VanDerWaalsContact O-N 3.11Å
271	V	96.4	Very high	92	Very high	100 Å²	100	55.1 Å²	55.1	61%	0.606	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	126.7	178.2	176.1	0	0	0	0	110	I317	V271-I317 HydrophobicContact CG2-CD1 3.66Å
272	G	95.2	Very high	92.4	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.021	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	-5.6	-179.3	0	0	0	0	0	115.1	E270 V303	E270-G272 PolarHBondContact O-N 3.15Å; G272-V303 PolarHBondContact N-O 3.33Å
273	D	96.6	Very high	92.9	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.271	C	S	.	.			trans	-65.6	139.4	169	-73	-13.7	0	0	0	110.5	R267 T269 E270 Y302 V303 F359 H360 N361	R267-D273 IonicContact CZ-OD2 2.83Å; R267-D273 IonicContact NE-OD2 3.74Å; R267-D273 IonicContact NH2-OD1 3.04Å; R267-D273 PolarHBondContact NH2-OD1 2.91Å; R267-D273 IonicContact NH2-OD2 3.66Å; R267-D273 PolarHBondContact NH2-OD2 3.42Å; T269-D273 WeakPolarHBondContact CA-OD2 3.13Å; E270-D273 PolarHBondContact N-OD2 2.85Å; E270-D273 WeakPolarHBondContact O-CB 3.21Å; E270-D273 PolarHBondContact O-N 2.88Å; E270-D273 VanDerWaalsContact O-N 3.11Å; D273-Y302 CarbonylContact O-C 3.58Å; D273-Y302 VanDerWaalsContact O-CA 3.28Å; D273-Y302 WeakPolarHBondContact O-CA 3.2Å; D273-V303 PolarHBondContact O-N 3.27Å; D273-F359 HydrophobicContact CB-CD2 4.48Å; D273-H360 CarbonylContact C-O 3.59Å; D273-H360 WeakPolarHBondContact CA-O 3.46Å; D273-N361 WeakPolarHBondContact OD1-CB 3.26Å; D273-N361 PolarHBondContact OD1-ND2 3.49Å
274	F	95.3	Very high	93.5	Very high	19 Å²	19	44.2 Å²	44.2	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120	166.7	-172.9	-90.2	0	0	0	108.9	R276 D300 T301 Y302 F359 H360	F274-R276 HydrophobicContact CD1-CG 4.39Å; F274-R276 HydrophobicContact CE1-CG 3.9Å; F274-D300 HydrophobicContact CE1-CB 4.12Å; F274-D300 HydrophobicContact CE2-CB 4.45Å; F274-D300 HydrophobicContact CZ-CB 3.67Å; F274-T301 WeakPolarHBondContact CA-O 3.36Å; F274-Y302 HydrophobicContact CB-CD1 3.97Å; F274-Y302 HydrophobicContact CB-CE1 3.77Å; F274-Y302 HydrophobicContact CD2-CD1 4.1Å; F274-Y302 HydrophobicContact CD2-CD2 4.04Å; F274-Y302 AromaticContact CD2-CE1 3.76Å; F274-Y302 HydrophobicContact CD2-CE1 3.76Å; F274-Y302 AromaticContact CD2-CE2 3.67Å; F274-Y302 HydrophobicContact CD2-CE2 3.67Å; F274-Y302 HydrophobicContact CD2-CG 4.24Å; F274-Y302 AromaticContact CD2-CZ 3.52Å; F274-Y302 HydrophobicContact CE2-CE2 4.12Å; F274-Y302 HydrophobicContact CG-CE1 4.26Å; F274-F359 CarbonylContact O-C 3.56Å; F274-F359 WeakPolarHBondContact O-CA 3.29Å; F274-F359 VanDerWaalsContact O-CB 3.3Å; F274-F359 WeakPolarHBondContact O-CB 3.21Å; F274-H360 AromaticContact CD1-CE1 3.51Å; F274-H360 AromaticContact CG-CE1 3.87Å; F274-H360 PolarHBondContact N-O 2.87Å; F274-H360 PolarHBondContact O-N 3.15Å
275	V	95.8	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.7	-178.7	-67.5	0	0	0	0	111.1	T269 Y277 D300 T301 V303 L316 M356 F359	T269-V275 HydrophobicContact CG2-CG1 3.68Å; V275-Y277 HydrophobicContact CB-CD1 4.39Å; V275-Y277 HydrophobicContact CG2-CD1 3.82Å; V275-Y277 HydrophobicContact CG2-CE1 3.98Å; V275-D300 WeakPolarHBondContact O-CA 3.32Å; V275-T301 HydrophobicContact CG2-CG2 3.68Å; V275-T301 WeakPolarHBondContact CG2-O 3.32Å; V275-T301 PolarHBondContact N-O 2.86Å; V275-T301 PolarHBondContact O-N 3.19Å; V275-V303 HydrophobicContact CB-CG2 4.17Å; V275-V303 HydrophobicContact CG1-CG2 3.28Å; V275-V303 HydrophobicContact CG2-CG2 3.73Å; V275-L316 HydrophobicContact CG2-CD1 4.33Å; V275-M356 HydrophobicContact CB-CE 4.04Å; V275-M356 HydrophobicContact CB-SD 4.01Å; V275-M356 HydrophobicContact CG1-CE 3.89Å; V275-M356 HydrophobicContact CG1-SD 4.11Å; V275-F359 HydrophobicContact CB-CB 4.26Å; V275-F359 HydrophobicContact CG1-CB 3.63Å; V275-F359 HydrophobicContact CG1-CG 4.43Å
276	R	94.8	Very high	94.5	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.5	164.4	-56.5	-171.5	-58.6	162.2	12.6	108.7	F274 T298 D300 I357 D358 G458 A460	F274-R276 HydrophobicContact CD1-CG 4.39Å; F274-R276 HydrophobicContact CE1-CG 3.9Å; R276-T298 HydrophobicContact CB-CG2 4.26Å; R276-D300 HydrophobicContact CG-CB 4.49Å; R276-D300 WeakPolarHBondContact CG-OD1 3.38Å; R276-I357 WeakPolarHBondContact O-CA 3.18Å; R276-I357 WeakPolarHBondContact O-CB 3.35Å; R276-I357 PolarHBondContact O-N 3.23Å; R276-D358 IonicContact CZ-OD1 3.35Å; R276-D358 IonicContact CZ-OD2 3.49Å; R276-D358 PolarHBondContact N-O 3.44Å; R276-D358 IonicContact NE-OD1 3.45Å; R276-D358 PolarHBondContact NE-OD1 2.88Å; R276-D358 IonicContact NE-OD2 3.18Å; R276-D358 VanDerWaalsContact NH2-CG 3.31Å; R276-D358 IonicContact NH2-OD1 3.45Å; R276-D358 PolarHBondContact NH2-OD1 2.92Å; R276-D358 IonicContact NH2-OD2 2.99Å; R276-D358 PolarHBondContact NH2-OD2 2.85Å; R276-D358 PolarHBondContact O-N 2.92Å; R276-G458 PolarHBondContact NH1-O 2.95Å; R276-A460 VanDerWaalsContact NH2-CA 3.33Å
277	Y	95.9	Very high	95	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.4	-178.2	65.8	-84.9	0	0	0	111.5	V275 Y279 Y299 T301 M312 L316 V354 H355	V275-Y277 HydrophobicContact CB-CD1 4.39Å; V275-Y277 HydrophobicContact CG2-CD1 3.82Å; V275-Y277 HydrophobicContact CG2-CE1 3.98Å; Y277-Y279 HydrophobicContact CD2-CD1 4.27Å; Y277-Y279 AromaticContact CE2-CD1 3.72Å; Y277-Y279 HydrophobicContact CE2-CD1 3.72Å; Y277-Y279 HydrophobicContact CE2-CG 4.3Å; Y277-Y299 WeakPolarHBondContact CD1-O 3.48Å; Y277-Y299 AromaticContact CE1-CD1 3.95Å; Y277-Y299 HydrophobicContact CE1-CD1 3.95Å; Y277-Y299 AromaticContact CZ-CD1 3.73Å; Y277-Y299 PolarHBondContact N-O 2.85Å; Y277-Y299 VanDerWaalsContact N-O 3.09Å; Y277-Y299 PolarHBondContact O-N 3.31Å; Y277-Y299 VanDerWaalsContact OH-CD1 3.28Å; Y277-Y299 WeakPolarHBondContact OH-CD1 3.41Å; Y277-T301 HydrophobicContact CE1-CG2 3.98Å; Y277-M312 HydrophobicContact CD2-CE 4.15Å; Y277-M312 HydrophobicContact CE1-CE 4.46Å; Y277-M312 HydrophobicContact CE2-CE 3.37Å; Y277-L316 HydrophobicContact CD1-CD1 4.36Å; Y277-L316 HydrophobicContact CD1-CD2 4.29Å; Y277-L316 HydrophobicContact CE1-CD1 3.7Å; Y277-L316 HydrophobicContact CE1-CD2 4.33Å; Y277-L316 HydrophobicContact CG-CD2 4.48Å; Y277-V354 HydrophobicContact CD2-CG1 3.82Å; Y277-V354 HydrophobicContact CD2-CG2 4.46Å; Y277-V354 HydrophobicContact CG-CG1 4.17Å; Y277-H355 CarbonylContact C-O 3.52Å; Y277-H355 WeakPolarHBondContact CA-O 3.41Å; Y277-H355 WeakPolarHBondContact CB-O 3.48Å
278	H	97	Very high	95.4	Very high	34 Å²	34	41.8 Å²	41.8	16%	0.157	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148.3	164	-77.7	-61.9	0	0	0	110.6	S292 Y293 R297 V354 H355	H278-S292 WeakPolarHBondContact CA-OG 3.11Å; H278-S292 WeakPolarHBondContact CB-OG 3.39Å; H278-S292 PolarHBondContact ND1-OG 3.23Å; H278-Y293 HydrophobicContact CB-CD1 4.47Å; H278-Y293 HydrophobicContact CB-CD2 4.31Å; H278-Y293 HydrophobicContact CB-CE1 3.8Å; H278-Y293 HydrophobicContact CB-CE2 3.62Å; H278-Y293 WeakPolarHBondContact CB-OH 3.49Å; H278-Y293 AromaticContact CD2-CE1 3.77Å; H278-Y293 AromaticContact CG-CE1 3.64Å; H278-Y293 AromaticContact CG-CZ 3.74Å; H278-R297 PolarHBondContact CE1-O 3.07Å; H278-V354 CarbonylContact O-C 3.58Å; H278-V354 WeakPolarHBondContact O-CA 3.48Å; H278-H355 HydrophobicContact CB-CB 4.38Å; H278-H355 PolarHBondContact N-O 2.95Å; H278-H355 PolarHBondContact O-N 3.3Å
279	Y	97.7	Very high	95.5	Very high	15 Å²	15	36.8 Å²	36.8	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.7	170.8	71.5	-88.2	0	0	0	113.4	Y277 D290 S291 S292 R295 Y299 F352 D353	Y277-Y279 HydrophobicContact CD2-CD1 4.27Å; Y277-Y279 AromaticContact CE2-CD1 3.72Å; Y277-Y279 HydrophobicContact CE2-CD1 3.72Å; Y277-Y279 HydrophobicContact CE2-CG 4.3Å; Y279-D290 HydrophobicContact CE2-CB 4.3Å; Y279-D290 PolarHBondContact OH-OD2 2.92Å; Y279-S291 WeakPolarHBondContact O-CA 3.33Å; Y279-S291 PolarHBondContact O-OG 3.45Å; Y279-S292 PolarHBondContact N-OG 2.8Å; Y279-S292 PolarHBondContact O-N 3.49Å; Y279-S292 PolarHBondContact O-OG 3.28Å; Y279-R295 PolarHBondContact OH-NH2 3.45Å; Y279-Y299 AromaticContact CE1-CD2 3.81Å; Y279-Y299 HydrophobicContact CE1-CD2 3.81Å; Y279-Y299 AromaticContact CE1-CG 3.99Å; Y279-Y299 HydrophobicContact CE1-CG 3.99Å; Y279-F352 AromaticContact CD2-CD1 3.69Å; Y279-F352 HydrophobicContact CD2-CD1 3.69Å; Y279-F352 AromaticContact CD2-CE1 3.89Å; Y279-F352 HydrophobicContact CD2-CE1 3.89Å; Y279-F352 HydrophobicContact CE2-CD1 4.26Å; Y279-F352 AromaticContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CG-CD1 4.3Å; Y279-D353 CarbonylContact C-O 3.53Å; Y279-D353 WeakPolarHBondContact CA-O 3.24Å
280	N	98	Very high	95.4	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131	157.3	-71.4	-29.2	0	0	0	109	F288 S291 Y293 F352 D353	N280-F288 HydrophobicContact CB-CE2 4.43Å; N280-S291 VanDerWaalsContact OD1-CB 3.24Å; N280-S291 WeakPolarHBondContact OD1-CB 3.4Å; N280-S291 PolarHBondContact OD1-OG 3.06Å; N280-Y293 WeakPolarHBondContact OD1-CD2 3.5Å; N280-F352 WeakPolarHBondContact O-CA 3.48Å; N280-D353 PolarHBondContact N-O 2.94Å; N280-D353 PolarHBondContact O-N 2.89Å
281	G	97.7	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.6	179.9	0	0	0	0	0	111.8	F288 F289 D290 V351	G281-F288 WeakPolarHBondContact O-CD2 3.35Å; G281-F289 PolarHBondContact O-N 2.87Å; G281-D290 PolarHBondContact N-O 3.48Å; G281-D290 PolarHBondContact O-N 2.94Å; G281-V351 WeakPolarHBondContact CA-O 3.43Å
282	S	97.2	Very high	95.4	Very high	23 Å²	23	28 Å²	28	16%	0.161	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.9	176.4	57.7	0	0	0	0	111.7	T287 F289 V351	S282-T287 CarbonylContact C-O 3.57Å; S282-T287 VanDerWaalsContact CA-O 3.23Å; S282-T287 WeakPolarHBondContact CA-O 3.4Å; S282-F289 WeakPolarHBondContact O-CE1 3.19Å; S282-V351 PolarHBondContact N-O 3.1Å; S282-V351 PolarHBondContact O-N 2.97Å
283	L	95.5	Very high	95.3	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.089	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	167.9	167	-53.8	-175.6	0	0	0	109.9	D285 G286 T287 F289 P345 A348 L350	L283-D285 WeakPolarHBondContact CB-OD1 3.22Å; L283-D285 PolarHBondContact O-N 2.75Å; L283-G286 WeakPolarHBondContact O-CA 3.14Å; L283-G286 PolarHBondContact O-N 2.9Å; L283-T287 HydrophobicContact CD1-CG2 4.39Å; L283-T287 PolarHBondContact N-O 2.83Å; L283-F289 HydrophobicContact CD2-CD1 3.87Å; L283-F289 HydrophobicContact CD2-CE1 4.17Å; L283-F289 HydrophobicContact CG-CD1 4.32Å; L283-P345 HydrophobicContact CD1-CG 4.17Å; L283-A348 HydrophobicContact CD2-CB 4.13Å; L283-L350 HydrophobicContact CD2-CD2 4.27Å
284	L	93.1	Very high	95.1	Very high	46 Å²	46	37 Å²	37	24%	0.241	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.5	-177.2	-166.3	58.9	0	0	0	113.9	V209 D246 L247 G286 V349 V351	V209-L284 HydrophobicContact CB-CG 4.36Å; V209-L284 HydrophobicContact CG1-CB 4.35Å; V209-L284 HydrophobicContact CG1-CG 4.15Å; V209-L284 HydrophobicContact CG2-CD2 3.75Å; V209-L284 HydrophobicContact CG2-CG 4.08Å; D246-L284 WeakPolarHBondContact OD1-CD2 3.41Å; L247-L284 HydrophobicContact CB-CD2 4.39Å; L247-L284 WeakPolarHBondContact O-CD2 3.28Å; L284-G286 PolarHBondContact O-N 2.89Å; L284-V349 HydrophobicContact CB-CB 4.17Å; L284-V349 HydrophobicContact CB-CG1 4.39Å; L284-V349 HydrophobicContact CD1-CG1 4.33Å; L284-V349 HydrophobicContact CD2-CB 4.2Å; L284-V349 HydrophobicContact CD2-CG1 4.25Å; L284-V349 HydrophobicContact CD2-CG2 4.39Å; L284-V349 PolarHBondContact N-O 2.55Å; L284-V351 HydrophobicContact CD1-CG2 3.95Å
285	D	90.8	Very high	94.9	Very high	57 Å²	57	40.6 Å²	40.6	31%	0.305	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.4	172.3	70.2	-3.7	0	0	0	114.4	V209 L283 T287	V209-D285 HydrophobicContact CG1-CB 3.97Å; L283-D285 WeakPolarHBondContact CB-OD1 3.22Å; L283-D285 PolarHBondContact O-N 2.75Å; D285-T287 VanDerWaalsContact CG-OG1 3.27Å; D285-T287 WeakPolarHBondContact OD1-CB 3.42Å; D285-T287 PolarHBondContact OD1-N 3.35Å; D285-T287 PolarHBondContact OD1-OG1 3.1Å; D285-T287 PolarHBondContact OD2-OG1 3.43Å; D285-T287 VanDerWaalsContact OD2-OG1 3.13Å
286	G	91.3	Very high	94.4	Very high	50 Å²	50	48 Å²	48	52%	0.515	26%	0.257	S	S	.	.			trans	87.8	1.1	-177.6	0	0	0	0	0	114.5	L283 L284 F288	L283-G286 WeakPolarHBondContact O-CA 3.14Å; L283-G286 PolarHBondContact O-N 2.9Å; L284-G286 PolarHBondContact O-N 2.89Å; G286-F288 PolarHBondContact O-N 3.44Å; G286-F288 VanDerWaalsContact O-N 3.09Å
287	T	92.9	Very high	94.2	Very high	71 Å²	71	55.6 Å²	55.6	44%	0.436	29%	0.286	S	S	.	.			trans	-63.3	113	176.4	-61.2	0	0	0	0	110.4	S282 L283 D285	S282-T287 CarbonylContact C-O 3.57Å; S282-T287 VanDerWaalsContact CA-O 3.23Å; S282-T287 WeakPolarHBondContact CA-O 3.4Å; L283-T287 HydrophobicContact CD1-CG2 4.39Å; L283-T287 PolarHBondContact N-O 2.83Å; D285-T287 VanDerWaalsContact CG-OG1 3.27Å; D285-T287 WeakPolarHBondContact OD1-CB 3.42Å; D285-T287 PolarHBondContact OD1-N 3.35Å; D285-T287 PolarHBondContact OD1-OG1 3.1Å; D285-T287 PolarHBondContact OD2-OG1 3.43Å; D285-T287 VanDerWaalsContact OD2-OG1 3.13Å
288	F	95.8	Very high	94	Very high	115 Å²	115	56.8 Å²	56.8	50%	0.504	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.5	-178.9	177.1	-94.1	0	0	0	112.4	N280 G281 G286 D290 S291	N280-F288 HydrophobicContact CB-CE2 4.43Å; G281-F288 WeakPolarHBondContact O-CD2 3.35Å; G286-F288 PolarHBondContact O-N 3.44Å; G286-F288 VanDerWaalsContact O-N 3.09Å; F288-D290 WeakPolarHBondContact CE2-O 3.21Å; F288-D290 VanDerWaalsContact CZ-O 3.29Å; F288-D290 WeakPolarHBondContact CZ-O 3.46Å; F288-S291 VanDerWaalsContact CZ-CB 3.45Å
289	F	95.7	Very high	94	Very high	10 Å²	10	58.9 Å²	58.9	4%	0.044	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-33.6	177.5	63.2	-104.7	0	0	0	114.6	G281 S282 L283 K343 I344 L350 F352	G281-F289 PolarHBondContact O-N 2.87Å; S282-F289 WeakPolarHBondContact O-CE1 3.19Å; L283-F289 HydrophobicContact CD2-CD1 3.87Å; L283-F289 HydrophobicContact CD2-CE1 4.17Å; L283-F289 HydrophobicContact CG-CD1 4.32Å; F289-K343 HydrophobicContact CB-CB 3.92Å; F289-K343 HydrophobicContact CB-CD 4.28Å; F289-K343 WeakPolarHBondContact O-CD 3.28Å; F289-K343 PolarHBondContact O-NZ 2.91Å; F289-I344 HydrophobicContact CB-CG1 4.37Å; F289-I344 HydrophobicContact CD1-CG1 4.3Å; F289-I344 HydrophobicContact CD2-CD1 3.79Å; F289-I344 HydrophobicContact CD2-CG1 4.06Å; F289-I344 HydrophobicContact CE2-CD1 3.77Å; F289-I344 HydrophobicContact CE2-CG1 4.44Å; F289-I344 HydrophobicContact CG-CD1 4.23Å; F289-I344 HydrophobicContact CG-CG1 4.01Å; F289-I344 HydrophobicContact CZ-CD1 4.14Å; F289-L350 HydrophobicContact CE1-CD2 4.04Å; F289-L350 HydrophobicContact CZ-CD2 4.23Å; F289-F352 HydrophobicContact CE2-CE1 4.03Å; F289-F352 HydrophobicContact CE2-CZ 4.01Å; F289-F352 AromaticContact CZ-CE1 3.88Å; F289-F352 HydrophobicContact CZ-CE1 3.88Å; F289-F352 HydrophobicContact CZ-CE2 4.32Å; F289-F352 AromaticContact CZ-CZ 3.66Å; F289-F352 HydrophobicContact CZ-CZ 3.66Å
290	D	95.1	Very high	93.8	Very high	47 Å²	47	61.5 Å²	61.5	25%	0.251	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	156.3	-176.5	-169.2	26	0	0	0	113.8	Y279 G281 F288 R295	Y279-D290 HydrophobicContact CE2-CB 4.3Å; Y279-D290 PolarHBondContact OH-OD2 2.92Å; G281-D290 PolarHBondContact N-O 3.48Å; G281-D290 PolarHBondContact O-N 2.94Å; F288-D290 WeakPolarHBondContact CE2-O 3.21Å; F288-D290 VanDerWaalsContact CZ-O 3.29Å; F288-D290 WeakPolarHBondContact CZ-O 3.46Å; D290-R295 IonicContact OD1-NH2 3.87Å; D290-R295 IonicContact OD2-NH2 3.9Å; D290-R295 PolarHBondContact OD2-NH2 3.2Å
291	S	96.8	Very high	93.7	Very high	5 Å²	5	59 Å²	59	4%	0.035	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.9	173.1	176.5	0	0	0	0	111.4	Y279 N280 F288 Y293 S294 R295	Y279-S291 WeakPolarHBondContact O-CA 3.33Å; Y279-S291 PolarHBondContact O-OG 3.45Å; N280-S291 VanDerWaalsContact OD1-CB 3.24Å; N280-S291 WeakPolarHBondContact OD1-CB 3.4Å; N280-S291 PolarHBondContact OD1-OG 3.06Å; F288-S291 VanDerWaalsContact CZ-CB 3.45Å; S291-Y293 WeakPolarHBondContact OG-CB 3.45Å; S291-Y293 PolarHBondContact OG-N 3.26Å; S291-S294 PolarHBondContact O-OG 2.95Å; S291-R295 PolarHBondContact O-NE 2.98Å; S291-R295 VanDerWaalsContact O-NE 3.1Å; S291-R295 PolarHBondContact O-NH2 2.91Å
292	S	96.5	Very high	93.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.007	31%	0.313	C	S	.	.	S	Bend	trans	-72.2	-32.2	167.1	64	0	0	0	0	112.5	H278 Y279 S294 R295 N296	H278-S292 WeakPolarHBondContact CA-OG 3.11Å; H278-S292 WeakPolarHBondContact CB-OG 3.39Å; H278-S292 PolarHBondContact ND1-OG 3.23Å; Y279-S292 PolarHBondContact N-OG 2.8Å; Y279-S292 PolarHBondContact O-N 3.49Å; Y279-S292 PolarHBondContact O-OG 3.28Å; S292-S294 VanDerWaalsContact C-N 3.32Å; S292-S294 PolarHBondContact O-N 2.99Å; S292-R295 PolarHBondContact O-N 3Å; S292-R295 VanDerWaalsContact O-N 3.08Å; S292-N296 PolarHBondContact O-N 3.2Å
293	Y	92.9	Very high	93.6	Very high	100 Å²	100	60.4 Å²	60.4	39%	0.392	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-65.6	-34.5	-177.3	-65.7	-80.2	0	0	0	112.3	H278 N280 S291 R295 N296 H355	H278-Y293 HydrophobicContact CB-CD1 4.47Å; H278-Y293 HydrophobicContact CB-CD2 4.31Å; H278-Y293 HydrophobicContact CB-CE1 3.8Å; H278-Y293 HydrophobicContact CB-CE2 3.62Å; H278-Y293 WeakPolarHBondContact CB-OH 3.49Å; H278-Y293 AromaticContact CD2-CE1 3.77Å; H278-Y293 AromaticContact CG-CE1 3.64Å; H278-Y293 AromaticContact CG-CZ 3.74Å; N280-Y293 WeakPolarHBondContact OD1-CD2 3.5Å; S291-Y293 WeakPolarHBondContact OG-CB 3.45Å; S291-Y293 PolarHBondContact OG-N 3.26Å; Y293-R295 PolarHBondContact O-N 3.19Å; Y293-R295 VanDerWaalsContact O-N 3.16Å; Y293-N296 PolarHBondContact O-N 3.04Å; Y293-H355 PolarHBondContact OH-ND1 2.93Å
294	S	91.1	Very high	93.6	Very high	92 Å²	92	61.2 Å²	61.2	64%	0.643	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.8	176.4	64.5	0	0	0	0	113.4	S291 S292	S291-S294 PolarHBondContact O-OG 2.95Å; S292-S294 VanDerWaalsContact C-N 3.32Å; S292-S294 PolarHBondContact O-N 2.99Å
295	R	91	Very high	93.7	Very high	95 Å²	95	66 Å²	66	36%	0.358	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-99.5	-2.1	177.2	-67.7	170.7	-76.8	-179.7	-2.2	112.8	Y279 D290 S291 S292 Y293 R297	Y279-R295 PolarHBondContact OH-NH2 3.45Å; D290-R295 IonicContact OD1-NH2 3.87Å; D290-R295 IonicContact OD2-NH2 3.9Å; D290-R295 PolarHBondContact OD2-NH2 3.2Å; S291-R295 PolarHBondContact O-NE 2.98Å; S291-R295 VanDerWaalsContact O-NE 3.1Å; S291-R295 PolarHBondContact O-NH2 2.91Å; S292-R295 PolarHBondContact O-N 3Å; S292-R295 VanDerWaalsContact O-N 3.08Å; Y293-R295 PolarHBondContact O-N 3.19Å; Y293-R295 VanDerWaalsContact O-N 3.16Å; R295-R297 HydrophobicContact CB-CG 4.08Å; R295-R297 PolarHBondContact O-N 2.85Å
296	N	86.8	Confident	93.9	Very high	154 Å²	154	66.1 Å²	66.1	82%	0.824	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	38.4	-176.8	-160.1	42.1	0	0	0	113.7	S292 Y293	S292-N296 PolarHBondContact O-N 3.2Å; Y293-N296 PolarHBondContact O-N 3.04Å
297	R	89.2	Confident	94.2	Very high	168 Å²	168	69.8 Å²	69.8	63%	0.634	35%	0.349	S	S	*	.	S	Bend	trans	-150.7	152.3	175.9	69.3	-179.4	-165.9	-176.9	4.6	110.6	H278 R295	H278-R297 PolarHBondContact CE1-O 3.07Å; R295-R297 HydrophobicContact CB-CG 4.08Å; R295-R297 PolarHBondContact O-N 2.85Å
298	T	93.1	Very high	94.3	Very high	31 Å²	31	67.5 Å²	67.5	19%	0.19	34%	0.335	C	S	.	.			trans	-66.5	161.1	173	47.9	0	0	0	0	111	R276 D300 I357	R276-T298 HydrophobicContact CB-CG2 4.26Å; T298-D300 WeakPolarHBondContact CB-OD1 3.31Å; T298-D300 PolarHBondContact OG1-OD1 2.7Å; T298-I357 HydrophobicContact CG2-CG1 3.96Å
299	Y	95.3	Very high	94.4	Very high	77 Å²	77	63.5 Å²	63.5	30%	0.302	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.7	161.2	-163.6	-81.3	0	0	0	108.1	Y277 Y279 T301 V308	Y277-Y299 WeakPolarHBondContact CD1-O 3.48Å; Y277-Y299 AromaticContact CE1-CD1 3.95Å; Y277-Y299 HydrophobicContact CE1-CD1 3.95Å; Y277-Y299 AromaticContact CZ-CD1 3.73Å; Y277-Y299 PolarHBondContact N-O 2.85Å; Y277-Y299 VanDerWaalsContact N-O 3.09Å; Y277-Y299 PolarHBondContact O-N 3.31Å; Y277-Y299 VanDerWaalsContact OH-CD1 3.28Å; Y277-Y299 WeakPolarHBondContact OH-CD1 3.41Å; Y279-Y299 AromaticContact CE1-CD2 3.81Å; Y279-Y299 HydrophobicContact CE1-CD2 3.81Å; Y279-Y299 AromaticContact CE1-CG 3.99Å; Y279-Y299 HydrophobicContact CE1-CG 3.99Å; Y299-T301 HydrophobicContact CD1-CG2 4.45Å; Y299-T301 HydrophobicContact CE1-CG2 4.39Å; Y299-V308 HydrophobicContact CE1-CG1 3.54Å
300	D	94.3	Very high	94.5	Very high	70 Å²	70	65.2 Å²	65.2	37%	0.374	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	-170.1	-56.4	-8.6	0	0	0	108.5	F274 V275 R276 T298	F274-D300 HydrophobicContact CE1-CB 4.12Å; F274-D300 HydrophobicContact CE2-CB 4.45Å; F274-D300 HydrophobicContact CZ-CB 3.67Å; V275-D300 WeakPolarHBondContact O-CA 3.32Å; R276-D300 HydrophobicContact CG-CB 4.49Å; R276-D300 WeakPolarHBondContact CG-OD1 3.38Å; T298-D300 WeakPolarHBondContact CB-OD1 3.31Å; T298-D300 PolarHBondContact OG1-OD1 2.7Å
301	T	95.6	Very high	94.6	Very high	9 Å²	9	63 Å²	63	6%	0.055	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	168.3	-177.1	-168.9	0	0	0	0	111.4	F274 V275 Y277 Y299 F307 V308 L316	F274-T301 WeakPolarHBondContact CA-O 3.36Å; V275-T301 HydrophobicContact CG2-CG2 3.68Å; V275-T301 WeakPolarHBondContact CG2-O 3.32Å; V275-T301 PolarHBondContact N-O 2.86Å; V275-T301 PolarHBondContact O-N 3.19Å; Y277-T301 HydrophobicContact CE1-CG2 3.98Å; Y299-T301 HydrophobicContact CD1-CG2 4.45Å; Y299-T301 HydrophobicContact CE1-CG2 4.39Å; T301-F307 WeakPolarHBondContact OG1-CB 3.4Å; T301-V308 HydrophobicContact CG2-CG1 4.06Å; T301-L316 HydrophobicContact CG2-CD1 4.34Å
302	Y	95.7	Very high	94.7	Very high	54 Å²	54	63 Å²	63	21%	0.212	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.5	166.2	-63.7	-90.6	0	0	0	110.5	D273 F274 F307 P362	D273-Y302 CarbonylContact O-C 3.58Å; D273-Y302 VanDerWaalsContact O-CA 3.28Å; D273-Y302 WeakPolarHBondContact O-CA 3.2Å; F274-Y302 HydrophobicContact CB-CD1 3.97Å; F274-Y302 HydrophobicContact CB-CE1 3.77Å; F274-Y302 HydrophobicContact CD2-CD1 4.1Å; F274-Y302 HydrophobicContact CD2-CD2 4.04Å; F274-Y302 AromaticContact CD2-CE1 3.76Å; F274-Y302 HydrophobicContact CD2-CE1 3.76Å; F274-Y302 AromaticContact CD2-CE2 3.67Å; F274-Y302 HydrophobicContact CD2-CE2 3.67Å; F274-Y302 HydrophobicContact CD2-CG 4.24Å; F274-Y302 AromaticContact CD2-CZ 3.52Å; F274-Y302 HydrophobicContact CE2-CE2 4.12Å; F274-Y302 HydrophobicContact CG-CE1 4.26Å; Y302-F307 HydrophobicContact CD2-CD2 4.06Å; Y302-F307 AromaticContact CD2-CE2 3.71Å; Y302-F307 HydrophobicContact CD2-CE2 3.71Å; Y302-F307 HydrophobicContact CD2-CZ 4.44Å; Y302-F307 HydrophobicContact CG-CD2 4.37Å; Y302-F307 HydrophobicContact CG-CE2 4.11Å; Y302-P362 HydrophobicContact CE1-CG 3.86Å
303	V	96.8	Very high	94.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	132.1	-179.6	-172.8	0	0	0	0	110.7	G272 D273 V275 R305 L316 I317	G272-V303 PolarHBondContact N-O 3.33Å; D273-V303 PolarHBondContact O-N 3.27Å; V275-V303 HydrophobicContact CB-CG2 4.17Å; V275-V303 HydrophobicContact CG1-CG2 3.28Å; V275-V303 HydrophobicContact CG2-CG2 3.73Å; V303-R305 VanDerWaalsContact C-N 3.27Å; V303-R305 PolarHBondContact O-N 3.48Å; V303-L316 HydrophobicContact CG1-CB 3.96Å; V303-L316 HydrophobicContact CG2-CB 4.18Å; V303-I317 HydrophobicContact CB-CD1 4.48Å; V303-I317 HydrophobicContact CG1-CD1 3.38Å; V303-I317 HydrophobicContact CG1-CG1 3.79Å
304	G	95.3	Very high	95	Very high	34 Å²	34	63.9 Å²	63.9	35%	0.351	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	21.9	171.2	0	0	0	0	0	114	D313	G304-D313 WeakPolarHBondContact CA-OD2 3.16Å; G304-D313 VanDerWaalsContact N-CG 3.32Å; G304-D313 PolarHBondContact N-OD1 2.95Å
305	R	95.7	Very high	95.3	Very high	146 Å²	146	59.5 Å²	59.5	55%	0.551	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	3.4	178	-70.8	-162.1	173.4	-172	2.7	113.7	V303 F307 D313	V303-R305 VanDerWaalsContact C-N 3.27Å; V303-R305 PolarHBondContact O-N 3.48Å; R305-F307 HydrophobicContact CB-CD2 3.59Å; R305-F307 HydrophobicContact CB-CE2 3.52Å; R305-F307 HydrophobicContact CG-CE2 4.41Å; R305-D313 PolarHBondContact N-OD2 2.61Å
306	G	96.1	Very high	95.6	Very high	60 Å²	60	55 Å²	55	62%	0.619	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	21.5	177.3	0	0	0	0	0	114.4	D313	G306-D313 VanDerWaalsContact CA-OD2 3.26Å; G306-D313 WeakPolarHBondContact CA-OD2 3.19Å; G306-D313 PolarHBondContact N-OD2 2.83Å
307	F	95.8	Very high	96.1	Very high	126 Å²	126	50.8 Å²	50.8	55%	0.553	26%	0.26	S	S	*	.	S	Bend	trans	-82.7	-19.3	176.1	-68.2	-68	0	0	0	113.1	T301 Y302 R305	T301-F307 WeakPolarHBondContact OG1-CB 3.4Å; Y302-F307 HydrophobicContact CD2-CD2 4.06Å; Y302-F307 AromaticContact CD2-CE2 3.71Å; Y302-F307 HydrophobicContact CD2-CE2 3.71Å; Y302-F307 HydrophobicContact CD2-CZ 4.44Å; Y302-F307 HydrophobicContact CG-CD2 4.37Å; Y302-F307 HydrophobicContact CG-CE2 4.11Å; R305-F307 HydrophobicContact CB-CD2 3.59Å; R305-F307 HydrophobicContact CB-CE2 3.52Å; R305-F307 HydrophobicContact CG-CE2 4.41Å
308	V	96.5	Very high	96.4	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.139	24%	0.241	C	C	.	.	S	Bend	trans	-121.7	173.3	173.6	-65.7	0	0	0	0	109.8	Y299 T301 M312 D313	Y299-V308 HydrophobicContact CE1-CG1 3.54Å; T301-V308 HydrophobicContact CG2-CG1 4.06Å; V308-M312 HydrophobicContact CB-CB 4.32Å; V308-M312 HydrophobicContact CG2-CB 3.89Å; V308-M312 HydrophobicContact CG2-CG 4.07Å; V308-D313 HydrophobicContact CG2-CB 4.32Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.39Å
309	I	97.6	Very high	96.5	Very high	31 Å²	31	42.4 Å²	42.4	16%	0.159	23%	0.232	C	C	.	.			trans	-54	143	174.4	59.5	175.8	0	0	0	110.6	G311 M312 D313 I329 Y335 L350 F352	I309-G311 PolarHBondContact O-N 3.21Å; I309-G311 VanDerWaalsContact O-N 3.15Å; I309-M312 HydrophobicContact CD1-CB 4.36Å; I309-M312 HydrophobicContact CG1-CB 3.63Å; I309-M312 WeakPolarHBondContact O-CA 3.5Å; I309-M312 WeakPolarHBondContact O-CB 3.35Å; I309-M312 PolarHBondContact O-N 3.4Å; I309-D313 PolarHBondContact O-N 3.15Å; I309-D313 VanDerWaalsContact O-N 3.1Å; I309-I329 HydrophobicContact CD1-CD1 3.76Å; I309-I329 HydrophobicContact CG1-CD1 4.39Å; I309-Y335 HydrophobicContact CG2-CD1 4.41Å; I309-Y335 HydrophobicContact CG2-CE1 3.89Å; I309-Y335 HydrophobicContact CG2-CE2 4.4Å; I309-L350 HydrophobicContact CD1-CD1 3.83Å; I309-F352 HydrophobicContact CD1-CE2 4Å; I309-F352 HydrophobicContact CD1-CZ 4.38Å
310	A	97.9	Very high	96.4	Very high	47 Å²	47	38.8 Å²	38.8	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-53.6	-41.4	-172	0	0	0	0	0	112.8	M312 D313 E314 L333	A310-M312 VanDerWaalsContact C-N 3.27Å; A310-M312 PolarHBondContact O-N 2.99Å; A310-D313 WeakPolarHBondContact O-CB 3.36Å; A310-D313 PolarHBondContact O-N 3.09Å; A310-E314 PolarHBondContact O-N 2.87Å; A310-L333 HydrophobicContact CB-CD2 4.21Å; A310-L333 PolarHBondContact N-O 3.33Å
311	G	97.7	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-27.1	179.9	0	0	0	0	0	114	V254 I309 G315 L333	V254-G311 VanDerWaalsContact CG2-CA 3.41Å; I309-G311 PolarHBondContact O-N 3.21Å; I309-G311 VanDerWaalsContact O-N 3.15Å; G311-G315 PolarHBondContact O-N 3.1Å; G311-L333 PolarHBondContact N-O 3.27Å
312	M	98.1	Very high	96.1	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-75.7	-41.5	173.9	-168.8	71	-166	0	0	110.5	Y277 V308 I309 A310 E314 G315 L316 I327 I329 F352 V354	Y277-M312 HydrophobicContact CD2-CE 4.15Å; Y277-M312 HydrophobicContact CE1-CE 4.46Å; Y277-M312 HydrophobicContact CE2-CE 3.37Å; V308-M312 HydrophobicContact CB-CB 4.32Å; V308-M312 HydrophobicContact CG2-CB 3.89Å; V308-M312 HydrophobicContact CG2-CG 4.07Å; I309-M312 HydrophobicContact CD1-CB 4.36Å; I309-M312 HydrophobicContact CG1-CB 3.63Å; I309-M312 WeakPolarHBondContact O-CA 3.5Å; I309-M312 WeakPolarHBondContact O-CB 3.35Å; I309-M312 PolarHBondContact O-N 3.4Å; A310-M312 VanDerWaalsContact C-N 3.27Å; A310-M312 PolarHBondContact O-N 2.99Å; M312-E314 VanDerWaalsContact C-N 3.3Å; M312-E314 PolarHBondContact O-N 2.8Å; M312-G315 PolarHBondContact O-N 3.05Å; M312-L316 HydrophobicContact CE-CD1 3.74Å; M312-L316 HydrophobicContact CE-CD2 3.55Å; M312-L316 HydrophobicContact CE-CG 3.57Å; M312-L316 HydrophobicContact CG-CD1 3.88Å; M312-L316 HydrophobicContact CG-CG 4.2Å; M312-L316 VanDerWaalsContact O-CB 3.3Å; M312-L316 WeakPolarHBondContact O-CB 3.36Å; M312-L316 VanDerWaalsContact O-CG 3.22Å; M312-L316 WeakPolarHBondContact O-CG 3.18Å; M312-L316 PolarHBondContact O-N 3.32Å; M312-L316 HydrophobicContact SD-CG 4.45Å; M312-I327 HydrophobicContact CE-CD1 3.86Å; M312-I327 HydrophobicContact SD-CD1 3.89Å; M312-I329 HydrophobicContact CB-CD1 4.22Å; M312-F352 HydrophobicContact SD-CB 4.48Å; M312-F352 HydrophobicContact SD-CD2 4.46Å; M312-F352 HydrophobicContact SD-CG 4.36Å; M312-V354 HydrophobicContact CE-CG2 3.47Å; M312-V354 VanDerWaalsContact CE-CG2 3.47Å
313	D	97.3	Very high	96	Very high	13 Å²	13	36 Å²	36	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-55.8	-46.3	173.7	-103.8	-0.8	0	0	0	111.1	G304 R305 G306 V308 I309 A310	G304-D313 WeakPolarHBondContact CA-OD2 3.16Å; G304-D313 VanDerWaalsContact N-CG 3.32Å; G304-D313 PolarHBondContact N-OD1 2.95Å; R305-D313 PolarHBondContact N-OD2 2.61Å; G306-D313 VanDerWaalsContact CA-OD2 3.26Å; G306-D313 WeakPolarHBondContact CA-OD2 3.19Å; G306-D313 PolarHBondContact N-OD2 2.83Å; V308-D313 HydrophobicContact CG2-CB 4.32Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.39Å; I309-D313 PolarHBondContact O-N 3.15Å; I309-D313 VanDerWaalsContact O-N 3.1Å; A310-D313 WeakPolarHBondContact O-CB 3.36Å; A310-D313 PolarHBondContact O-N 3.09Å
314	E	97.7	Very high	96	Very high	105 Å²	105	41.1 Å²	41.1	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-66.2	-45.7	175.7	-72.1	178.6	-153.6	0	0	112.4	V254 A310 M312 L316 I317	V254-E314 HydrophobicContact CG2-CB 3.98Å; V254-E314 WeakPolarHBondContact CG2-OE2 3.49Å; A310-E314 PolarHBondContact O-N 2.87Å; M312-E314 VanDerWaalsContact C-N 3.3Å; M312-E314 PolarHBondContact O-N 2.8Å; E314-L316 VanDerWaalsContact C-N 3.26Å; E314-L316 PolarHBondContact O-N 3.42Å; E314-I317 PolarHBondContact O-N 2.93Å
315	G	97.3	Very high	96.1	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-20.5	-177.1	0	0	0	0	0	114.7	G311 M312 R325	G311-G315 PolarHBondContact O-N 3.1Å; M312-G315 PolarHBondContact O-N 3.05Å; G315-R325 PolarHBondContact O-NH1 2.86Å
316	L	97.9	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.4	176.2	-74.5	175.8	0	0	0	114.1	T269 V275 Y277 T301 V303 M312 E314 V319 V354 M356	T269-L316 WeakPolarHBondContact CB-O 3.49Å; T269-L316 PolarHBondContact OG1-O 3.1Å; V275-L316 HydrophobicContact CG2-CD1 4.33Å; Y277-L316 HydrophobicContact CD1-CD1 4.36Å; Y277-L316 HydrophobicContact CD1-CD2 4.29Å; Y277-L316 HydrophobicContact CE1-CD1 3.7Å; Y277-L316 HydrophobicContact CE1-CD2 4.33Å; Y277-L316 HydrophobicContact CG-CD2 4.48Å; T301-L316 HydrophobicContact CG2-CD1 4.34Å; V303-L316 HydrophobicContact CG1-CB 3.96Å; V303-L316 HydrophobicContact CG2-CB 4.18Å; M312-L316 HydrophobicContact CE-CD1 3.74Å; M312-L316 HydrophobicContact CE-CD2 3.55Å; M312-L316 HydrophobicContact CE-CG 3.57Å; M312-L316 HydrophobicContact CG-CD1 3.88Å; M312-L316 HydrophobicContact CG-CG 4.2Å; M312-L316 VanDerWaalsContact O-CB 3.3Å; M312-L316 WeakPolarHBondContact O-CB 3.36Å; M312-L316 VanDerWaalsContact O-CG 3.22Å; M312-L316 WeakPolarHBondContact O-CG 3.18Å; M312-L316 PolarHBondContact O-N 3.32Å; M312-L316 HydrophobicContact SD-CG 4.45Å; E314-L316 VanDerWaalsContact C-N 3.26Å; E314-L316 PolarHBondContact O-N 3.42Å; L316-V319 VanDerWaalsContact C-CG2 3.47Å; L316-V319 WeakPolarHBondContact O-CG2 3.3Å; L316-V354 HydrophobicContact CD2-CG1 4.17Å; L316-M356 HydrophobicContact CD2-CE 3.83Å
317	I	97	Very high	96.3	Very high	65 Å²	65	31.2 Å²	31.2	33%	0.333	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	143.4	173	-67.2	-73.2	0	0	0	110.4	V271 V303 E314 V319 R325	V271-I317 HydrophobicContact CG2-CD1 3.66Å; V303-I317 HydrophobicContact CB-CD1 4.48Å; V303-I317 HydrophobicContact CG1-CD1 3.38Å; V303-I317 HydrophobicContact CG1-CG1 3.79Å; E314-I317 PolarHBondContact O-N 2.93Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-V319 PolarHBondContact O-N 3.11Å; I317-R325 PolarHBondContact O-NH1 2.9Å
318	G	95.4	Very high	96.4	Very high	23 Å²	23	27 Å²	27	24%	0.237	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	24.6	174.3	0	0	0	0	0	114.3	T269 R325	T269-G318 PolarHBondContact O-N 3.41Å; T269-G318 PolarHBondContact OG1-N 2.84Å; G318-R325 PolarHBondContact O-NH2 2.75Å
319	V	95.3	Very high	96.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-89.2	135.7	179.9	-166	0	0	0	0	110.5	K268 T269 L316 I317 E323 R325 M356 F359	K268-V319 CarbonylContact C-O 3.42Å; K268-V319 WeakPolarHBondContact CA-O 3.12Å; T269-V319 HydrophobicContact CG2-CB 4.11Å; T269-V319 PolarHBondContact N-O 3.23Å; T269-V319 PolarHBondContact OG1-N 2.88Å; L316-V319 VanDerWaalsContact C-CG2 3.47Å; L316-V319 WeakPolarHBondContact O-CG2 3.3Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-V319 PolarHBondContact O-N 3.11Å; V319-E323 HydrophobicContact CG1-CB 3.84Å; V319-E323 HydrophobicContact CG1-CG 4.43Å; V319-R325 VanDerWaalsContact CA-NH2 3.25Å; V319-M356 HydrophobicContact CB-CE 4.04Å; V319-M356 HydrophobicContact CG1-CB 3.63Å; V319-M356 HydrophobicContact CG1-CE 3.9Å; V319-M356 HydrophobicContact CG1-CG 3.89Å; V319-M356 HydrophobicContact CG2-CE 4.17Å; V319-F359 WeakPolarHBondContact O-CE1 3.19Å
320	C	94.1	Very high	96.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-85.6	153.5	171.4	-50.4	0	0	0	0	111	C265 G322 E323	C265-C320 HydrophobicContact CB-CB 3.75Å; C265-C320 WeakPolarHBondContact CB-SG 3.16Å; C265-C320 WeakPolarHBondContact SG-CB 3.35Å; C265-C320 CovalentContact SG-SG 2.02Å; C265-C320 PolarHBondContact SG-SG 2.97Å; C320-G322 PolarHBondContact O-N 3.46Å; C320-E323 HydrophobicContact CB-CB 4.14Å; C320-E323 PolarHBondContact N-OE2 2.83Å; C320-E323 WeakPolarHBondContact O-CB 3.29Å; C320-E323 PolarHBondContact O-N 2.87Å; C320-E323 VanDerWaalsContact O-N 3.1Å
321	I	91.4	Very high	96.3	Very high	46 Å²	46	22.7 Å²	22.7	24%	0.236	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133.8	170.9	-58.7	-179	0	0	0	108.7	P262 E323 I357 F359 L396	P262-I321 WeakPolarHBondContact CG-O 3.46Å; I321-E323 PolarHBondContact O-N 2.83Å; I321-I357 WeakPolarHBondContact CG2-O 3.06Å; I321-F359 HydrophobicContact CB-CE1 4.39Å; I321-F359 HydrophobicContact CD1-CD1 4.48Å; I321-F359 HydrophobicContact CD1-CE1 4.17Å; I321-F359 HydrophobicContact CD1-CZ 4.41Å; I321-F359 HydrophobicContact CG1-CD1 3.72Å; I321-F359 HydrophobicContact CG1-CE1 3.27Å; I321-F359 HydrophobicContact CG1-CZ 3.87Å; I321-L396 HydrophobicContact CD1-CD1 3.7Å; I321-L396 HydrophobicContact CG2-CB 4.25Å; I321-L396 HydrophobicContact CG2-CD1 4.18Å
322	G	91	Very high	96.2	Very high	27 Å²	27	27.5 Å²	27.5	28%	0.278	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-2.1	-176.1	0	0	0	0	0	115.2	C320 M356	C320-G322 PolarHBondContact O-N 3.46Å; G322-M356 WeakPolarHBondContact CA-O 3.45Å; G322-M356 PolarHBondContact N-O 3.35Å
323	E	94.8	Very high	96.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	15%	0.15	C	C	.	.			trans	-66.8	142	-179.1	-164.6	-174.3	140.8	0	0	112.1	N258 I260 V261 V319 C320 I321 R325 H355 M356	N258-E323 PolarHBondContact ND2-OE1 3.32Å; N258-E323 PolarHBondContact OD1-OE1 2.95Å; I260-E323 WeakPolarHBondContact O-CA 3.4Å; I260-E323 WeakPolarHBondContact O-CG 3.45Å; V261-E323 HydrophobicContact CG2-CG 4.18Å; V319-E323 HydrophobicContact CG1-CB 3.84Å; V319-E323 HydrophobicContact CG1-CG 4.43Å; C320-E323 HydrophobicContact CB-CB 4.14Å; C320-E323 PolarHBondContact N-OE2 2.83Å; C320-E323 WeakPolarHBondContact O-CB 3.29Å; C320-E323 PolarHBondContact O-N 2.87Å; C320-E323 VanDerWaalsContact O-N 3.1Å; I321-E323 PolarHBondContact O-N 2.83Å; E323-R325 IonicContact OE1-CZ 3.56Å; E323-R325 IonicContact OE1-NE 2.7Å; E323-R325 PolarHBondContact OE1-NE 3.31Å; E323-R325 IonicContact OE1-NH2 2.74Å; E323-R325 PolarHBondContact OE1-NH2 2.8Å; E323-R325 IonicContact OE2-CZ 2.64Å; E323-R325 IonicContact OE2-NH2 3.79Å; E323-R325 PolarHBondContact OE2-NH2 2.8Å; E323-H355 WeakPolarHBondContact O-CA 3.31Å; E323-M356 PolarHBondContact O-N 2.65Å
324	R	96.4	Very high	96.2	Very high	108 Å²	108	28.8 Å²	28.8	41%	0.408	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.3	165	-60.8	-171.6	-179.5	-172.7	-1.7	110.7	Q259 I260 V354 H355	Q259-R324 WeakPolarHBondContact CA-O 3.15Å; Q259-R324 HydrophobicContact CB-CB 4.26Å; Q259-R324 WeakPolarHBondContact CB-O 3.31Å; Q259-R324 PolarHBondContact N-O 3.31Å; I260-R324 HydrophobicContact CB-CB 4.17Å; I260-R324 HydrophobicContact CG1-CB 4.47Å; I260-R324 PolarHBondContact N-O 3.26Å; I260-R324 PolarHBondContact O-N 3.32Å; R324-V354 CarbonylContact C-O 3.57Å; R324-V354 WeakPolarHBondContact CA-O 3.33Å; R324-H355 HydrophobicContact CG-CB 4.12Å
325	R	97.2	Very high	96.2	Very high	11 Å²	11	28.3 Å²	28.3	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.5	178.1	61.4	172.8	60.1	176.3	0.1	111.5	V256 T257 G315 I317 G318 V319 E323 I327 V354	V256-R325 HydrophobicContact CG1-CB 4.38Å; T257-R325 CarbonylContact O-C 3.47Å; T257-R325 VanDerWaalsContact O-CA 3.32Å; T257-R325 WeakPolarHBondContact O-CA 3.48Å; G315-R325 PolarHBondContact O-NH1 2.86Å; I317-R325 PolarHBondContact O-NH1 2.9Å; G318-R325 PolarHBondContact O-NH2 2.75Å; V319-R325 VanDerWaalsContact CA-NH2 3.25Å; E323-R325 IonicContact OE1-CZ 3.56Å; E323-R325 IonicContact OE1-NE 2.7Å; E323-R325 PolarHBondContact OE1-NE 3.31Å; E323-R325 IonicContact OE1-NH2 2.74Å; E323-R325 PolarHBondContact OE1-NH2 2.8Å; E323-R325 IonicContact OE2-CZ 2.64Å; E323-R325 IonicContact OE2-NH2 3.79Å; E323-R325 PolarHBondContact OE2-NH2 2.8Å; R325-I327 HydrophobicContact CG-CG1 4.33Å; R325-V354 HydrophobicContact CG-CB 4.3Å; R325-V354 PolarHBondContact N-O 3.02Å; R325-V354 PolarHBondContact O-N 3.25Å
326	T	97.8	Very high	96.1	Very high	20 Å²	20	29.4 Å²	29.4	12%	0.123	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.1	168.7	-54.4	0	0	0	0	108.9	V256 T257 Q259 V351 F352 D353	V256-T326 WeakPolarHBondContact CA-O 3.37Å; T257-T326 PolarHBondContact N-O 2.9Å; T257-T326 PolarHBondContact O-N 2.74Å; Q259-T326 PolarHBondContact NE2-OG1 2.66Å; T326-V351 HydrophobicContact CG2-CG1 3.5Å; T326-V351 VanDerWaalsContact CG2-CG1 3.5Å; T326-F352 CarbonylContact C-O 3.6Å; T326-F352 VanDerWaalsContact CA-O 3.31Å; T326-F352 WeakPolarHBondContact CA-O 3.41Å; T326-D353 WeakPolarHBondContact CB-OD1 3.45Å; T326-D353 PolarHBondContact OG1-OD1 3Å
327	I	98.1	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.5	175.8	-53.1	171.3	0	0	0	107.6	V254 M312 R325 I329 V351 F352 V354	V254-I327 HydrophobicContact CG1-CG2 3.48Å; V254-I327 VanDerWaalsContact CG1-CG2 3.48Å; M312-I327 HydrophobicContact CE-CD1 3.86Å; M312-I327 HydrophobicContact SD-CD1 3.89Å; R325-I327 HydrophobicContact CG-CG1 4.33Å; I327-I329 HydrophobicContact CG2-CD1 4.1Å; I327-I329 HydrophobicContact CG2-CG1 3.77Å; I327-V351 WeakPolarHBondContact O-CA 3.23Å; I327-F352 HydrophobicContact CB-CB 4.43Å; I327-F352 PolarHBondContact N-O 2.8Å; I327-F352 PolarHBondContact O-N 3.18Å; I327-V354 HydrophobicContact CD1-CG2 3.77Å; I327-V354 HydrophobicContact CG1-CG2 4.39Å
328	T	97.3	Very high	95.6	Very high	38 Å²	38	43 Å²	43	23%	0.233	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.4	175.3	-56.5	0	0	0	0	109.2	A255 V349 L350 V351	A255-T328 PolarHBondContact N-O 2.85Å; A255-T328 PolarHBondContact O-N 3.25Å; T328-V349 HydrophobicContact CG2-CG1 3.54Å; T328-L350 CarbonylContact C-O 3.56Å; T328-L350 WeakPolarHBondContact CA-O 3.42Å; T328-V351 HydrophobicContact CG2-CG2 4.34Å
329	I	98.1	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.8	-169.4	-58.5	174.9	0	0	0	109.2	I309 M312 I327 L333 L350 F352	I309-I329 HydrophobicContact CD1-CD1 3.76Å; I309-I329 HydrophobicContact CG1-CD1 4.39Å; M312-I329 HydrophobicContact CB-CD1 4.22Å; I327-I329 HydrophobicContact CG2-CD1 4.1Å; I327-I329 HydrophobicContact CG2-CG1 3.77Å; I329-L333 HydrophobicContact CG2-CB 3.84Å; I329-L350 HydrophobicContact CB-CB 4.33Å; I329-L350 PolarHBondContact N-O 2.8Å; I329-L350 PolarHBondContact O-N 2.79Å; I329-F352 HydrophobicContact CD1-CD2 3.75Å; I329-F352 HydrophobicContact CD1-CE2 3.87Å
330	P	96.9	Very high	95.6	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.032	24%	0.239	C	C	.	.			trans	-69.4	158.1	173.8	30.8	-35.1	0	0	0	110.8	D252 G253 H332 L333 G334	D252-P330 HydrophobicContact CB-CB 4.27Å; D252-P330 HydrophobicContact CB-CG 4.38Å; D252-P330 WeakPolarHBondContact O-CG 3.35Å; G253-P330 WeakPolarHBondContact O-CD 3.36Å; P330-H332 VanDerWaalsContact C-N 3.3Å; P330-H332 PolarHBondContact O-N 2.91Å; P330-H332 VanDerWaalsContact O-N 3.15Å; P330-L333 HydrophobicContact CG-CB 4.38Å; P330-L333 HydrophobicContact CG-CD1 4.01Å; P330-L333 HydrophobicContact CG-CG 4.24Å; P330-L333 PolarHBondContact O-N 2.95Å; P330-G334 PolarHBondContact O-N 2.78Å
331	P	96.4	Very high	95.5	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.032	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.4	-35.9	-167.8	-23.2	32.2	0	0	0	114.2	H248 L333 G334 Y335 G336 S347	H248-P331 VanDerWaalsContact CE1-CG 3.49Å; H248-P331 WeakPolarHBondContact CE1-CG 3.17Å; P331-L333 PolarHBondContact O-N 3.44Å; P331-G334 CarbonylContact O-C 3.57Å; P331-G334 WeakPolarHBondContact O-CA 3.42Å; P331-G334 PolarHBondContact O-N 2.98Å; P331-Y335 PolarHBondContact O-N 2.81Å; P331-G336 VanDerWaalsContact O-CA 3.28Å; P331-G336 WeakPolarHBondContact O-CA 3.4Å; P331-G336 PolarHBondContact O-N 2.93Å; P331-S347 WeakPolarHBondContact CG-O 3.29Å
332	H	95.6	Very high	95.5	Very high	102 Å²	102	53.1 Å²	53.1	47%	0.472	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-68.3	-14.4	-180	65.9	-90	0	0	0	113.9	P250 D252 P330	P250-H332 PolarHBondContact O-CE1 3Å; D252-H332 PolarHBondContact O-CE1 3.13Å; D252-H332 PolarHBondContact O-NE2 3.37Å; P330-H332 VanDerWaalsContact C-N 3.3Å; P330-H332 PolarHBondContact O-N 2.91Å; P330-H332 VanDerWaalsContact O-N 3.15Å
333	L	97.8	Very high	95.6	Very high	27 Å²	27	58 Å²	58	14%	0.141	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-104.8	0.9	170.3	-61.1	178.7	0	0	0	112.5	V254 A310 G311 I329 P330 P331	V254-L333 HydrophobicContact CG2-CD1 3.63Å; A310-L333 HydrophobicContact CB-CD2 4.21Å; A310-L333 PolarHBondContact N-O 3.33Å; G311-L333 PolarHBondContact N-O 3.27Å; I329-L333 HydrophobicContact CG2-CB 3.84Å; P330-L333 HydrophobicContact CG-CB 4.38Å; P330-L333 HydrophobicContact CG-CD1 4.01Å; P330-L333 HydrophobicContact CG-CG 4.24Å; P330-L333 PolarHBondContact O-N 2.95Å; P331-L333 PolarHBondContact O-N 3.44Å
334	G	97.3	Very high	95.7	Very high	19 Å²	19	58.4 Å²	58.4	20%	0.196	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-116.8	178.5	0	0	0	0	0	111.9	P330 P331	P330-G334 PolarHBondContact O-N 2.78Å; P331-G334 CarbonylContact O-C 3.57Å; P331-G334 WeakPolarHBondContact O-CA 3.42Å; P331-G334 PolarHBondContact O-N 2.98Å
335	Y	96.9	Very high	95.6	Very high	95 Å²	95	55.4 Å²	55.4	37%	0.373	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.8	-177.1	-62.9	-72.1	0	0	0	114.4	I309 P331 G339 T340 I344 L350	I309-Y335 HydrophobicContact CG2-CD1 4.41Å; I309-Y335 HydrophobicContact CG2-CE1 3.89Å; I309-Y335 HydrophobicContact CG2-CE2 4.4Å; P331-Y335 PolarHBondContact O-N 2.81Å; Y335-G339 PolarHBondContact O-N 2.84Å; Y335-G339 VanDerWaalsContact O-N 3.11Å; Y335-T340 HydrophobicContact CD1-CG2 3.49Å; Y335-T340 VanDerWaalsContact CD1-CG2 3.49Å; Y335-T340 HydrophobicContact CD2-CG2 3.6Å; Y335-T340 HydrophobicContact CE1-CG2 3.61Å; Y335-T340 HydrophobicContact CE2-CG2 3.71Å; Y335-T340 HydrophobicContact CG-CG2 3.48Å; Y335-T340 VanDerWaalsContact CG-CG2 3.48Å; Y335-I344 HydrophobicContact CD2-CD1 3.76Å; Y335-I344 HydrophobicContact CD2-CG2 3.95Å; Y335-I344 HydrophobicContact CE2-CD1 3.46Å; Y335-I344 VanDerWaalsContact CE2-CD1 3.46Å; Y335-L350 HydrophobicContact CD2-CD1 3.69Å; Y335-L350 HydrophobicContact CE2-CD1 3.84Å
336	G	94.7	Very high	95.4	Very high	24 Å²	24	55.7 Å²	55.7	25%	0.247	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-160	172.9	0	0	0	0	0	114.9	P331 E338 S347	P331-G336 VanDerWaalsContact O-CA 3.28Å; P331-G336 WeakPolarHBondContact O-CA 3.4Å; P331-G336 PolarHBondContact O-N 2.93Å; G336-E338 VanDerWaalsContact C-N 3.27Å; G336-E338 PolarHBondContact O-N 3.17Å; G336-S347 PolarHBondContact O-N 2.91Å
337	E	92.5	Very high	95.2	Very high	161 Å²	161	55.4 Å²	55.4	75%	0.752	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.5	-179.2	-62.8	-176.4	173.7	0	0	113	G346	E337-G346 WeakPolarHBondContact O-CA 3.24Å
338	E	93.6	Very high	95.1	Very high	188 Å²	188	55.6 Å²	55.6	88%	0.879	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-28.1	-178.3	-61.8	-173.8	166.4	0	0	112.5	G336	G336-E338 VanDerWaalsContact C-N 3.27Å; G336-E338 PolarHBondContact O-N 3.17Å
339	G	94.3	Very high	95	Very high	16 Å²	16	54 Å²	54	17%	0.165	32%	0.315	C	S	.	.			trans	72	-160.4	-174	0	0	0	0	0	111.9	Y335	Y335-G339 PolarHBondContact O-N 2.84Å; Y335-G339 VanDerWaalsContact O-N 3.11Å
340	T	95.6	Very high	95	Very high	63 Å²	63	54.1 Å²	54.1	39%	0.387	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-154.4	138.8	176	-170.3	0	0	0	0	113.5	Y335 I344	Y335-T340 HydrophobicContact CD1-CG2 3.49Å; Y335-T340 VanDerWaalsContact CD1-CG2 3.49Å; Y335-T340 HydrophobicContact CD2-CG2 3.6Å; Y335-T340 HydrophobicContact CE1-CG2 3.61Å; Y335-T340 HydrophobicContact CE2-CG2 3.71Å; Y335-T340 HydrophobicContact CG-CG2 3.48Å; Y335-T340 VanDerWaalsContact CG-CG2 3.48Å; T340-I344 HydrophobicContact CG2-CB 3.9Å; T340-I344 HydrophobicContact CG2-CD1 3.8Å; T340-I344 HydrophobicContact CG2-CG1 4.27Å; T340-I344 HydrophobicContact CG2-CG2 4.41Å; T340-I344 PolarHBondContact N-O 3.4Å; T340-I344 PolarHBondContact O-N 3.04Å
341	G	92.4	Very high	95.1	Very high	78 Å²	78	54.8 Å²	54.8	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-152	-178.3	0	0	0	0	0	112.6
342	S	90.5	Very high	95.1	Very high	126 Å²	126	55.3 Å²	55.3	88%	0.881	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-7.9	179	57.3	0	0	0	0	114.1
343	K	94	Very high	95.3	Very high	130 Å²	130	53.1 Å²	53.1	57%	0.565	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-26.2	-172	-63.8	-175.5	174.6	-179.6	0	113.8	F289 P345	F289-K343 HydrophobicContact CB-CB 3.92Å; F289-K343 HydrophobicContact CB-CD 4.28Å; F289-K343 WeakPolarHBondContact O-CD 3.28Å; F289-K343 PolarHBondContact O-NZ 2.91Å; K343-P345 WeakPolarHBondContact O-CD 3.46Å
344	I	96	Very high	95.3	Very high	11 Å²	11	52 Å²	52	6%	0.056	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-112.6	99.3	-179.1	-57.8	179.4	0	0	0	107.3	F289 Y335 T340 A348 L350	F289-I344 HydrophobicContact CB-CG1 4.37Å; F289-I344 HydrophobicContact CD1-CG1 4.3Å; F289-I344 HydrophobicContact CD2-CD1 3.79Å; F289-I344 HydrophobicContact CD2-CG1 4.06Å; F289-I344 HydrophobicContact CE2-CD1 3.77Å; F289-I344 HydrophobicContact CE2-CG1 4.44Å; F289-I344 HydrophobicContact CG-CD1 4.23Å; F289-I344 HydrophobicContact CG-CG1 4.01Å; F289-I344 HydrophobicContact CZ-CD1 4.14Å; Y335-I344 HydrophobicContact CD2-CD1 3.76Å; Y335-I344 HydrophobicContact CD2-CG2 3.95Å; Y335-I344 HydrophobicContact CE2-CD1 3.46Å; Y335-I344 VanDerWaalsContact CE2-CD1 3.46Å; T340-I344 HydrophobicContact CG2-CB 3.9Å; T340-I344 HydrophobicContact CG2-CD1 3.8Å; T340-I344 HydrophobicContact CG2-CG1 4.27Å; T340-I344 HydrophobicContact CG2-CG2 4.41Å; T340-I344 PolarHBondContact N-O 3.4Å; T340-I344 PolarHBondContact O-N 3.04Å; I344-A348 HydrophobicContact CG2-CB 4.25Å; I344-L350 HydrophobicContact CD1-CD2 4.35Å; I344-L350 HydrophobicContact CG2-CD2 3.73Å
345	P	94.1	Very high	95.2	Very high	44 Å²	44	53 Å²	53	29%	0.286	31%	0.307	S	S	.	.			trans	-68	164.6	177.2	25	-30.8	0	0	0	112.2	L283 K343 A348	L283-P345 HydrophobicContact CD1-CG 4.17Å; K343-P345 WeakPolarHBondContact O-CD 3.46Å; P345-A348 HydrophobicContact CG-CB 4.14Å; P345-A348 WeakPolarHBondContact O-CB 3.46Å; P345-A348 PolarHBondContact O-N 3.44Å
346	G	93.7	Very high	95.2	Very high	18 Å²	18	48.5 Å²	48.5	19%	0.186	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	147.1	172.7	0	0	0	0	0	113.1	R164 E337 A348	R164-G346 VanDerWaalsContact CZ-O 3.29Å; R164-G346 PolarHBondContact NH1-O 3.5Å; E337-G346 WeakPolarHBondContact O-CA 3.24Å; G346-A348 PolarHBondContact O-N 3.43Å
347	S	93.4	Very high	95.1	Very high	13 Å²	13	48.2 Å²	48.2	9%	0.091	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	26.9	178	-59.6	0	0	0	0	114.2	F162 P331 G336	F162-S347 VanDerWaalsContact CE1-CB 3.45Å; P331-S347 WeakPolarHBondContact CG-O 3.29Å; G336-S347 PolarHBondContact O-N 2.91Å
348	A	95.6	Very high	95.1	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-82.2	134.6	-178.7	0	0	0	0	0	112.5	D246 L283 I344 P345 G346 L350	D246-A348 VanDerWaalsContact OD2-CA 3.24Å; D246-A348 WeakPolarHBondContact OD2-CA 3.12Å; L283-A348 HydrophobicContact CD2-CB 4.13Å; I344-A348 HydrophobicContact CG2-CB 4.25Å; P345-A348 HydrophobicContact CG-CB 4.14Å; P345-A348 WeakPolarHBondContact O-CB 3.46Å; P345-A348 PolarHBondContact O-N 3.44Å; G346-A348 PolarHBondContact O-N 3.43Å; A348-L350 HydrophobicContact CB-CD2 4.49Å
349	V	96.5	Very high	95.1	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-78.2	131.3	167.1	177.9	0	0	0	0	108.9	D246 H248 L284 T328	D246-V349 VanDerWaalsContact OD1-CB 3.3Å; D246-V349 WeakPolarHBondContact OD1-CB 3.46Å; D246-V349 WeakPolarHBondContact OD1-CG2 3.35Å; D246-V349 PolarHBondContact OD2-N 2.82Å; H248-V349 HydrophobicContact CB-CG2 3.63Å; L284-V349 HydrophobicContact CB-CB 4.17Å; L284-V349 HydrophobicContact CB-CG1 4.39Å; L284-V349 HydrophobicContact CD1-CG1 4.33Å; L284-V349 HydrophobicContact CD2-CB 4.2Å; L284-V349 HydrophobicContact CD2-CG1 4.25Å; L284-V349 HydrophobicContact CD2-CG2 4.39Å; L284-V349 PolarHBondContact N-O 2.55Å; T328-V349 HydrophobicContact CG2-CG1 3.54Å
350	L	97.9	Very high	95.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.1	-179.5	-46.5	177.2	0	0	0	110	L283 F289 I309 T328 I329 Y335 I344 A348 F352	L283-L350 HydrophobicContact CD2-CD2 4.27Å; F289-L350 HydrophobicContact CE1-CD2 4.04Å; F289-L350 HydrophobicContact CZ-CD2 4.23Å; I309-L350 HydrophobicContact CD1-CD1 3.83Å; T328-L350 CarbonylContact C-O 3.56Å; T328-L350 WeakPolarHBondContact CA-O 3.42Å; I329-L350 HydrophobicContact CB-CB 4.33Å; I329-L350 PolarHBondContact N-O 2.8Å; I329-L350 PolarHBondContact O-N 2.79Å; Y335-L350 HydrophobicContact CD2-CD1 3.69Å; Y335-L350 HydrophobicContact CE2-CD1 3.84Å; I344-L350 HydrophobicContact CD1-CD2 4.35Å; I344-L350 HydrophobicContact CG2-CD2 3.73Å; A348-L350 HydrophobicContact CB-CD2 4.49Å; L350-F352 HydrophobicContact CB-CD2 4.2Å; L350-F352 HydrophobicContact CB-CE2 3.65Å; L350-F352 HydrophobicContact CB-CZ 4.46Å; L350-F352 HydrophobicContact CD1-CE2 3.93Å; L350-F352 HydrophobicContact CD1-CZ 4.35Å; L350-F352 HydrophobicContact CG-CE2 4.44Å
351	V	97.6	Very high	94.9	Very high	20 Å²	20	30.1 Å²	30.1	12%	0.121	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.5	175.4	-174.9	0	0	0	0	108.5	G281 S282 L284 T326 I327 T328	G281-V351 WeakPolarHBondContact CA-O 3.43Å; S282-V351 PolarHBondContact N-O 3.1Å; S282-V351 PolarHBondContact O-N 2.97Å; L284-V351 HydrophobicContact CD1-CG2 3.95Å; T326-V351 HydrophobicContact CG2-CG1 3.5Å; T326-V351 VanDerWaalsContact CG2-CG1 3.5Å; I327-V351 WeakPolarHBondContact O-CA 3.23Å; T328-V351 HydrophobicContact CG2-CG2 4.34Å
352	F	98.3	Very high	94.8	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.066	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.2	177.9	-70.2	-84	0	0	0	110.8	Y279 N280 F289 I309 M312 T326 I327 I329 L350 V354	Y279-F352 AromaticContact CD2-CD1 3.69Å; Y279-F352 HydrophobicContact CD2-CD1 3.69Å; Y279-F352 AromaticContact CD2-CE1 3.89Å; Y279-F352 HydrophobicContact CD2-CE1 3.89Å; Y279-F352 HydrophobicContact CE2-CD1 4.26Å; Y279-F352 AromaticContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CE2-CE1 3.98Å; Y279-F352 HydrophobicContact CG-CD1 4.3Å; N280-F352 WeakPolarHBondContact O-CA 3.48Å; F289-F352 HydrophobicContact CE2-CE1 4.03Å; F289-F352 HydrophobicContact CE2-CZ 4.01Å; F289-F352 AromaticContact CZ-CE1 3.88Å; F289-F352 HydrophobicContact CZ-CE1 3.88Å; F289-F352 HydrophobicContact CZ-CE2 4.32Å; F289-F352 AromaticContact CZ-CZ 3.66Å; F289-F352 HydrophobicContact CZ-CZ 3.66Å; I309-F352 HydrophobicContact CD1-CE2 4Å; I309-F352 HydrophobicContact CD1-CZ 4.38Å; M312-F352 HydrophobicContact SD-CB 4.48Å; M312-F352 HydrophobicContact SD-CD2 4.46Å; M312-F352 HydrophobicContact SD-CG 4.36Å; T326-F352 CarbonylContact C-O 3.6Å; T326-F352 VanDerWaalsContact CA-O 3.31Å; T326-F352 WeakPolarHBondContact CA-O 3.41Å; I327-F352 HydrophobicContact CB-CB 4.43Å; I327-F352 PolarHBondContact N-O 2.8Å; I327-F352 PolarHBondContact O-N 3.18Å; I329-F352 HydrophobicContact CD1-CD2 3.75Å; I329-F352 HydrophobicContact CD1-CE2 3.87Å; L350-F352 HydrophobicContact CB-CD2 4.2Å; L350-F352 HydrophobicContact CB-CE2 3.65Å; L350-F352 HydrophobicContact CB-CZ 4.46Å; L350-F352 HydrophobicContact CD1-CE2 3.93Å; L350-F352 HydrophobicContact CD1-CZ 4.35Å; L350-F352 HydrophobicContact CG-CE2 4.44Å; F352-V354 HydrophobicContact CB-CG2 4.23Å
353	D	97.9	Very high	94.8	Very high	57 Å²	57	27.6 Å²	27.6	31%	0.305	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.1	165.3	-70.5	-41.1	0	0	0	108.8	Q259 Y279 N280 T326	Q259-D353 PolarHBondContact NE2-OD1 2.64Å; Y279-D353 CarbonylContact C-O 3.53Å; Y279-D353 WeakPolarHBondContact CA-O 3.24Å; N280-D353 PolarHBondContact N-O 2.94Å; N280-D353 PolarHBondContact O-N 2.89Å; T326-D353 WeakPolarHBondContact CB-OD1 3.45Å; T326-D353 PolarHBondContact OG1-OD1 3Å
354	V	98	Very high	94.7	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.2	-174.6	175.1	0	0	0	0	110.4	Y277 H278 M312 L316 R324 R325 I327 F352	Y277-V354 HydrophobicContact CD2-CG1 3.82Å; Y277-V354 HydrophobicContact CD2-CG2 4.46Å; Y277-V354 HydrophobicContact CG-CG1 4.17Å; H278-V354 CarbonylContact O-C 3.58Å; H278-V354 WeakPolarHBondContact O-CA 3.48Å; M312-V354 HydrophobicContact CE-CG2 3.47Å; M312-V354 VanDerWaalsContact CE-CG2 3.47Å; L316-V354 HydrophobicContact CD2-CG1 4.17Å; R324-V354 CarbonylContact C-O 3.57Å; R324-V354 WeakPolarHBondContact CA-O 3.33Å; R325-V354 HydrophobicContact CG-CB 4.3Å; R325-V354 PolarHBondContact N-O 3.02Å; R325-V354 PolarHBondContact O-N 3.25Å; I327-V354 HydrophobicContact CD1-CG2 3.77Å; I327-V354 HydrophobicContact CG1-CG2 4.39Å; F352-V354 HydrophobicContact CB-CG2 4.23Å
355	H	96.4	Very high	94.6	Very high	40 Å²	40	29.1 Å²	29.1	19%	0.185	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.5	169.1	177.8	-148.4	0	0	0	108.7	Y277 H278 Y293 E323 R324	Y277-H355 CarbonylContact C-O 3.52Å; Y277-H355 WeakPolarHBondContact CA-O 3.41Å; Y277-H355 WeakPolarHBondContact CB-O 3.48Å; H278-H355 HydrophobicContact CB-CB 4.38Å; H278-H355 PolarHBondContact N-O 2.95Å; H278-H355 PolarHBondContact O-N 3.3Å; Y293-H355 PolarHBondContact OH-ND1 2.93Å; E323-H355 WeakPolarHBondContact O-CA 3.31Å; R324-H355 HydrophobicContact CG-CB 4.12Å
356	M	95.8	Very high	94.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.7	-178.6	-175.2	57.5	68.1	0	0	110.3	T269 V275 L316 V319 G322 E323 F359	T269-M356 HydrophobicContact CG2-CE 4.3Å; V275-M356 HydrophobicContact CB-CE 4.04Å; V275-M356 HydrophobicContact CB-SD 4.01Å; V275-M356 HydrophobicContact CG1-CE 3.89Å; V275-M356 HydrophobicContact CG1-SD 4.11Å; L316-M356 HydrophobicContact CD2-CE 3.83Å; V319-M356 HydrophobicContact CB-CE 4.04Å; V319-M356 HydrophobicContact CG1-CB 3.63Å; V319-M356 HydrophobicContact CG1-CE 3.9Å; V319-M356 HydrophobicContact CG1-CG 3.89Å; V319-M356 HydrophobicContact CG2-CE 4.17Å; G322-M356 WeakPolarHBondContact CA-O 3.45Å; G322-M356 PolarHBondContact N-O 3.35Å; E323-M356 PolarHBondContact O-N 2.65Å; M356-F359 HydrophobicContact CG-CD1 4.15Å; M356-F359 HydrophobicContact SD-CD1 4.26Å
357	I	93.1	Very high	94.6	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.097	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-55.7	-178.6	-55.6	-53	0	0	0	109.8	R276 T298 I321	R276-I357 WeakPolarHBondContact O-CA 3.18Å; R276-I357 WeakPolarHBondContact O-CB 3.35Å; R276-I357 PolarHBondContact O-N 3.23Å; T298-I357 HydrophobicContact CG2-CG1 3.96Å; I321-I357 WeakPolarHBondContact CG2-O 3.06Å
358	D	92.3	Very high	94.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	174.7	171.3	62.7	15.5	0	0	0	111.7	R276 L396 V461	R276-D358 IonicContact CZ-OD1 3.35Å; R276-D358 IonicContact CZ-OD2 3.49Å; R276-D358 PolarHBondContact N-O 3.44Å; R276-D358 IonicContact NE-OD1 3.45Å; R276-D358 PolarHBondContact NE-OD1 2.88Å; R276-D358 IonicContact NE-OD2 3.18Å; R276-D358 VanDerWaalsContact NH2-CG 3.31Å; R276-D358 IonicContact NH2-OD1 3.45Å; R276-D358 PolarHBondContact NH2-OD1 2.92Å; R276-D358 IonicContact NH2-OD2 2.99Å; R276-D358 PolarHBondContact NH2-OD2 2.85Å; R276-D358 PolarHBondContact O-N 2.92Å; D358-L396 HydrophobicContact CB-CB 4.35Å; D358-L396 HydrophobicContact CB-CD1 3.65Å; D358-V461 HydrophobicContact CB-CG2 4.44Å; D358-V461 PolarHBondContact OD2-N 3.01Å
359	F	94.1	Very high	94.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.6	172	58.6	-92.5	0	0	0	111.5	R267 K268 T269 D273 F274 V275 V319 I321 M356	R267-F359 HydrophobicContact CG-CE2 3.84Å; R267-F359 HydrophobicContact CG-CZ 4.21Å; K268-F359 VanDerWaalsContact C-CZ 3.48Å; T269-F359 HydrophobicContact CG2-CB 4.14Å; T269-F359 HydrophobicContact CG2-CD1 3.39Å; T269-F359 HydrophobicContact CG2-CD2 3.83Å; T269-F359 HydrophobicContact CG2-CE1 3.58Å; T269-F359 HydrophobicContact CG2-CE2 4Å; T269-F359 HydrophobicContact CG2-CG 3.53Å; T269-F359 HydrophobicContact CG2-CZ 3.9Å; D273-F359 HydrophobicContact CB-CD2 4.48Å; F274-F359 CarbonylContact O-C 3.56Å; F274-F359 WeakPolarHBondContact O-CA 3.29Å; F274-F359 VanDerWaalsContact O-CB 3.3Å; F274-F359 WeakPolarHBondContact O-CB 3.21Å; V275-F359 HydrophobicContact CB-CB 4.26Å; V275-F359 HydrophobicContact CG1-CB 3.63Å; V275-F359 HydrophobicContact CG1-CG 4.43Å; V319-F359 WeakPolarHBondContact O-CE1 3.19Å; I321-F359 HydrophobicContact CB-CE1 4.39Å; I321-F359 HydrophobicContact CD1-CD1 4.48Å; I321-F359 HydrophobicContact CD1-CE1 4.17Å; I321-F359 HydrophobicContact CD1-CZ 4.41Å; I321-F359 HydrophobicContact CG1-CD1 3.72Å; I321-F359 HydrophobicContact CG1-CE1 3.27Å; I321-F359 HydrophobicContact CG1-CZ 3.87Å; M356-F359 HydrophobicContact CG-CD1 4.15Å; M356-F359 HydrophobicContact SD-CD1 4.26Å
360	H	93.1	Very high	94.8	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162	173.5	67.6	-74.6	0	0	0	110.3	D273 F274 D364 P442 P443 V461	D273-H360 CarbonylContact C-O 3.59Å; D273-H360 WeakPolarHBondContact CA-O 3.46Å; F274-H360 AromaticContact CD1-CE1 3.51Å; F274-H360 AromaticContact CG-CE1 3.87Å; F274-H360 PolarHBondContact N-O 2.87Å; F274-H360 PolarHBondContact O-N 3.15Å; H360-D364 WeakPolarHBondContact CA-OD2 3.34Å; H360-P442 HydrophobicContact CB-CB 4.25Å; H360-P443 WeakPolarHBondContact CE1-CG 3.32Å; H360-P443 WeakPolarHBondContact NE2-CG 3.43Å; H360-V461 HydrophobicContact CB-CG2 3.77Å
361	N	92.6	Very high	94.7	Very high	31 Å²	31	44 Å²	44	17%	0.166	25%	0.252	C	S	.	.			trans	-96.9	140.5	166.2	-153.6	-73.2	0	0	0	109.6	D273 S363 D364	D273-N361 WeakPolarHBondContact OD1-CB 3.26Å; D273-N361 PolarHBondContact OD1-ND2 3.49Å; N361-S363 PolarHBondContact O-N 2.88Å; N361-S363 PolarHBondContact OD1-N 3.19Å; N361-S363 PolarHBondContact OD1-OG 2.82Å; N361-D364 VanDerWaalsContact CB-OD1 3.22Å; N361-D364 WeakPolarHBondContact CB-OD1 3.34Å; N361-D364 PolarHBondContact N-OD2 3.22Å; N361-D364 VanDerWaalsContact O-CB 3.29Å; N361-D364 WeakPolarHBondContact O-CB 3Å; N361-D364 PolarHBondContact O-N 2.97Å
362	P	89.1	Confident	94.7	Very high	61 Å²	61	49 Å²	49	40%	0.396	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.2	171.2	-27.6	35.8	0	0	0	114.9	Y302 H444	Y302-P362 HydrophobicContact CE1-CG 3.86Å; P362-H444 PolarHBondContact O-CE1 2.88Å
363	S	91.2	Very high	94.5	Very high	91 Å²	91	53.6 Å²	53.6	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	2.5	173.3	63.9	0	0	0	0	114.7	N361	N361-S363 PolarHBondContact O-N 2.88Å; N361-S363 PolarHBondContact OD1-N 3.19Å; N361-S363 PolarHBondContact OD1-OG 2.82Å
364	D	91.7	Very high	94.3	Very high	39 Å²	39	51.9 Å²	51.9	21%	0.209	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.7	141.2	179.3	-72.7	-14.9	0	0	0	111	R267 H360 N361 P442 H444	R267-D364 IonicContact CZ-OD2 2.82Å; R267-D364 IonicContact NH1-OD1 3.04Å; R267-D364 IonicContact NH1-OD2 3.69Å; R267-D364 PolarHBondContact NH1-OD2 2.98Å; R267-D364 IonicContact NH2-OD1 2.61Å; R267-D364 IonicContact NH2-OD2 3.11Å; R267-D364 PolarHBondContact NH2-OD2 2.63Å; H360-D364 WeakPolarHBondContact CA-OD2 3.34Å; N361-D364 VanDerWaalsContact CB-OD1 3.22Å; N361-D364 WeakPolarHBondContact CB-OD1 3.34Å; N361-D364 PolarHBondContact N-OD2 3.22Å; N361-D364 VanDerWaalsContact O-CB 3.29Å; N361-D364 WeakPolarHBondContact O-CB 3Å; N361-D364 PolarHBondContact O-N 2.97Å; D364-P442 HydrophobicContact CB-CB 4.3Å; D364-P442 HydrophobicContact CB-CG 4.19Å; D364-H444 PolarHBondContact O-CE1 3.41Å; D364-H444 PolarHBondContact O-NE2 2.77Å
365	N	94.4	Very high	93.9	Very high	134 Å²	134	61.5 Å²	61.5	72%	0.717	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-94	170.9	167.9	-63	-56.2	0	0	0	110.2	E367	N365-E367 PolarHBondContact O-N 3Å
366	T	94.6	Very high	93.6	Very high	18 Å²	18	67.3 Å²	67.3	11%	0.11	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.8	123.4	169.4	-59.3	0	0	0	0	110.5	V368 G423 L440 I441 L445	T366-V368 HydrophobicContact CG2-CG2 4.19Å; T366-G423 WeakPolarHBondContact CG2-O 3.46Å; T366-G423 WeakPolarHBondContact OG1-CA 3.45Å; T366-L440 WeakPolarHBondContact CA-O 3.42Å; T366-I441 HydrophobicContact CG2-CG1 3.84Å; T366-L445 WeakPolarHBondContact OG1-CD1 3.49Å
367	E	94.1	Very high	93.3	Very high	96 Å²	96	68.8 Å²	68.8	45%	0.449	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.1	173.6	-164	-175.1	151.9	0	0	109.5	N365 L439 L440	N365-E367 PolarHBondContact O-N 3Å; E367-L439 WeakPolarHBondContact O-CA 3.03Å; E367-L440 HydrophobicContact CB-CB 3.94Å; E367-L440 PolarHBondContact N-O 3.37Å; E367-L440 PolarHBondContact O-N 2.95Å
368	V	95.9	Very high	92.9	Very high	61 Å²	61	75.4 Å²	75.4	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.4	-178.4	-176.2	0	0	0	0	109.4	T366 R437 L439	T366-V368 HydrophobicContact CG2-CG2 4.19Å; V368-R437 HydrophobicContact CG1-CG 4.38Å; V368-L439 HydrophobicContact CB-CD2 4.26Å; V368-L439 HydrophobicContact CG1-CD2 3.84Å; V368-L439 HydrophobicContact CG2-CD2 3.98Å
369	T	95.7	Very high	92.9	Very high	65 Å²	65	78.9 Å²	78.9	40%	0.399	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.3	173.2	-62.7	0	0	0	0	109.8	T371 R437 R438	T369-T371 HydrophobicContact CG2-CG2 4.45Å; T369-T371 PolarHBondContact O-N 3.37Å; T369-R437 CarbonylContact O-C 3.6Å; T369-R437 VanDerWaalsContact O-CA 3.3Å; T369-R437 WeakPolarHBondContact O-CA 3.48Å; T369-R438 PolarHBondContact N-O 3.25Å; T369-R438 PolarHBondContact O-N 2.88Å
370	V	96.4	Very high	93	Very high	71 Å²	71	83.5 Å²	83.5	43%	0.43	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	113.7	173.3	-176.4	0	0	0	0	108.9	K373 E435 R437	V370-K373 HydrophobicContact CG1-CB 4.12Å; V370-E435 HydrophobicContact CG1-CG 4.08Å; V370-E435 WeakPolarHBondContact CG2-OE1 3.49Å; V370-R437 HydrophobicContact CG2-CG 4.28Å
371	T	96.4	Very high	93.1	Very high	88 Å²	88	83.2 Å²	83.2	54%	0.54	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-27.2	-178.2	54.6	0	0	0	0	112.3	T369 K436 R438	T369-T371 HydrophobicContact CG2-CG2 4.45Å; T369-T371 PolarHBondContact O-N 3.37Å; T371-K436 PolarHBondContact N-O 2.9Å; T371-K436 VanDerWaalsContact OG1-C 3.29Å; T371-K436 WeakPolarHBondContact OG1-CB 3.3Å; T371-K436 PolarHBondContact OG1-O 3.18Å; T371-K436 VanDerWaalsContact OG1-O 3.08Å; T371-R438 HydrophobicContact CG2-CB 3.85Å
372	Y	97.1	Very high	93.2	Very high	125 Å²	125	87 Å²	87	49%	0.49	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	132.9	173.1	170.6	-100.4	0	0	0	110	P374 G434 E435 K436	Y372-P374 HydrophobicContact CE1-CG 4.03Å; Y372-G434 VanDerWaalsContact CD1-O 3.23Å; Y372-G434 WeakPolarHBondContact CD1-O 3.31Å; Y372-G434 VanDerWaalsContact CE1-O 3.29Å; Y372-G434 WeakPolarHBondContact CE1-O 3.36Å; Y372-E435 WeakPolarHBondContact O-CA 3.44Å; Y372-E435 VanDerWaalsContact O-CG 3.24Å; Y372-E435 WeakPolarHBondContact O-CG 3.49Å; Y372-K436 HydrophobicContact CD1-CG 4.18Å; Y372-K436 PolarHBondContact N-O 2.91Å; Y372-K436 VanDerWaalsContact N-O 3.17Å; Y372-K436 PolarHBondContact O-N 3.1Å
373	K	94.6	Very high	93.3	Very high	110 Å²	110	90.1 Å²	90.1	48%	0.478	45%	0.452	S	S	.	.			trans	-122.5	123.5	175.8	-168.9	170.4	-175.1	166.7	0	110	V370	V370-K373 HydrophobicContact CG1-CB 4.12Å
374	P	93.6	Very high	93.2	Very high	22 Å²	22	86.8 Å²	86.8	14%	0.143	43%	0.433	C	S	.	.			trans	-60.1	153	173.8	-21.5	30.8	0	0	0	112.3	Y372 E376 V433 G434	Y372-P374 HydrophobicContact CE1-CG 4.03Å; P374-E376 VanDerWaalsContact C-N 3.34Å; P374-V433 VanDerWaalsContact CG-O 3.31Å; P374-V433 WeakPolarHBondContact CG-O 3.48Å; P374-G434 VanDerWaalsContact CG-C 3.48Å
375	E	89.8	Confident	93.3	Very high	205 Å²	205	85 Å²	85	96%	0.958	42%	0.423	S	S	*	.	S	Bend	trans	-64.9	-39	176.3	-66.4	-172.2	168.6	0	0	112
376	E	89.5	Confident	93.3	Very high	161 Å²	161	79.7 Å²	79.7	75%	0.752	39%	0.394	S	S	*	.			trans	-97.7	122.3	176.2	-65.8	180	178.2	0	0	110	P374	P374-E376 VanDerWaalsContact C-N 3.34Å
377	C	89.4	Confident	93.4	Very high	32 Å²	32	78.9 Å²	78.9	22%	0.216	39%	0.389	C	S	.	.			trans	-144.2	69.9	176.9	177.2	0	0	0	0	110.2	C432	C377-C432 HydrophobicContact CB-CB 3.7Å; C377-C432 WeakPolarHBondContact CB-SG 3.46Å; C377-C432 WeakPolarHBondContact SG-CB 3.12Å; C377-C432 CovalentContact SG-SG 2Å; C377-C432 PolarHBondContact SG-SG 3.04Å
378	D	86.3	Confident	93.6	Very high	158 Å²	158	76.6 Å²	76.6	85%	0.845	38%	0.377	S	S	*	.			trans	-83.2	-32.6	-178.7	-61.2	-29.9	0	0	0	112.1
379	K	91.8	Very high	93.7	Very high	73 Å²	73	73.8 Å²	73.8	32%	0.317	36%	0.36	S	S	.	.			trans	-116.3	134.1	-179.9	-170.1	175.8	177	-175.5	0	110.3	I471 D473	K379-I471 HydrophobicContact CD-CB 4.46Å; K379-I471 HydrophobicContact CD-CG2 4.27Å; K379-I471 HydrophobicContact CG-CD1 4.47Å; K379-I471 PolarHBondContact NZ-O 3.39Å; K379-D473 VanDerWaalsContact CE-CG 3.46Å; K379-D473 WeakPolarHBondContact CE-OD1 3.5Å; K379-D473 WeakPolarHBondContact CE-OD2 3.22Å; K379-D473 IonicContact NZ-OD1 2.74Å; K379-D473 PolarHBondContact NZ-OD1 3.33Å; K379-D473 IonicContact NZ-OD2 2.87Å; K379-D473 PolarHBondContact NZ-OD2 2.9Å
380	R	95.2	Very high	93.8	Very high	101 Å²	101	72.4 Å²	72.4	38%	0.381	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-126.1	146.3	178.6	-58.9	-167.8	-176.6	-168.2	-0.6	110.3	D430 M431	R380-D430 WeakPolarHBondContact CD-OD1 3.47Å; R380-D430 IonicContact CZ-OD1 3.07Å; R380-D430 IonicContact NE-OD1 3.18Å; R380-D430 IonicContact NH1-OD1 3.96Å; R380-D430 PolarHBondContact NH1-OD1 2.95Å; R380-D430 IonicContact NH1-OD2 2.61Å; R380-D430 PolarHBondContact NH1-OD2 3.16Å; R380-M431 WeakPolarHBondContact CA-O 3.31Å
381	T	96.1	Very high	93.8	Very high	5 Å²	5	70.3 Å²	70.3	3%	0.031	33%	0.334	C	S	.	.			trans	-61.6	135.5	177.3	52.7	0	0	0	0	111.5	D385 I387 L428 D430 M431 L468 I471	T381-D385 WeakPolarHBondContact CA-OD2 3.21Å; T381-I387 HydrophobicContact CG2-CG2 3.66Å; T381-L428 WeakPolarHBondContact CB-O 3.46Å; T381-L428 PolarHBondContact OG1-O 3.36Å; T381-D430 PolarHBondContact O-N 3.42Å; T381-D430 PolarHBondContact OG1-N 3.11Å; T381-M431 HydrophobicContact CG2-CB 4.46Å; T381-M431 PolarHBondContact N-O 3.08Å; T381-M431 PolarHBondContact OG1-N 3.2Å; T381-L468 HydrophobicContact CG2-CD1 4.36Å; T381-L468 HydrophobicContact CG2-CD2 3.47Å; T381-L468 VanDerWaalsContact CG2-CD2 3.47Å; T381-I471 HydrophobicContact CG2-CD1 3.66Å; T381-I471 HydrophobicContact CG2-CG1 3.79Å; T381-I471 HydrophobicContact CG2-CG2 4.49Å
382	K	94.5	Very high	93.9	Very high	110 Å²	110	68.8 Å²	68.8	48%	0.478	32%	0.322	S	S	.	.			trans	-134.8	165.6	171.7	62.5	-173.9	176.1	-159.9	0	110.2	G384 D385 D473	K382-G384 PolarHBondContact O-N 3.39Å; K382-D385 VanDerWaalsContact CE-OD1 3.27Å; K382-D385 WeakPolarHBondContact CE-OD1 3.49Å; K382-D385 WeakPolarHBondContact CG-OD2 3.47Å; K382-D385 PolarHBondContact N-OD2 3.02Å; K382-D385 WeakPolarHBondContact O-CB 3.25Å; K382-D385 PolarHBondContact O-N 3.3Å; K382-D385 VanDerWaalsContact O-N 3.08Å; K382-D473 IonicContact NZ-OD1 2.9Å
383	K	91.9	Very high	93.8	Very high	127 Å²	127	62.8 Å²	62.8	55%	0.552	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	130.6	174.5	-170.8	-173.2	179.9	-162.5	0	110.3	E477	K383-E477 IonicContact NZ-OE1 3.6Å; K383-E477 PolarHBondContact NZ-OE1 3.07Å
384	G	89	Confident	93.9	Very high	22 Å²	22	58.6 Å²	58.6	23%	0.227	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-18.7	-178.8	0	0	0	0	0	114.5	K382 L415 G474	K382-G384 PolarHBondContact O-N 3.39Å; G384-L415 PolarHBondContact N-O 3.14Å; G384-G474 WeakPolarHBondContact O-CA 3.5Å
385	D	94.1	Very high	93.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.279	C	S	.	.			trans	-65	141	177.7	-70.3	-13.3	0	0	0	111.2	T381 K382 I387 V414 L415 I471 G474	T381-D385 WeakPolarHBondContact CA-OD2 3.21Å; K382-D385 VanDerWaalsContact CE-OD1 3.27Å; K382-D385 WeakPolarHBondContact CE-OD1 3.49Å; K382-D385 WeakPolarHBondContact CG-OD2 3.47Å; K382-D385 PolarHBondContact N-OD2 3.02Å; K382-D385 WeakPolarHBondContact O-CB 3.25Å; K382-D385 PolarHBondContact O-N 3.3Å; K382-D385 VanDerWaalsContact O-N 3.08Å; D385-I387 HydrophobicContact CB-CG2 4.12Å; D385-V414 WeakPolarHBondContact O-CA 3.46Å; D385-L415 PolarHBondContact O-N 3.03Å; D385-I471 HydrophobicContact CB-CG2 4.1Å; D385-G474 PolarHBondContact OD1-N 3.49Å
386	F	94.4	Very high	93.7	Very high	24 Å²	24	50.1 Å²	50.1	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.8	168.3	177.9	-112.6	0	0	0	109	K388 N412 I413 V414 E472 P525	F386-K388 HydrophobicContact CE1-CG 4.39Å; F386-N412 HydrophobicContact CE2-CB 3.87Å; F386-N412 HydrophobicContact CZ-CB 3.73Å; F386-I413 WeakPolarHBondContact CA-O 3.49Å; F386-I413 VanDerWaalsContact CD2-O 3.29Å; F386-I413 WeakPolarHBondContact CD2-O 3.24Å; F386-V414 HydrophobicContact CB-CG2 4.48Å; F386-V414 HydrophobicContact CD2-CG2 3.94Å; F386-E472 HydrophobicContact CB-CB 4.24Å; F386-E472 HydrophobicContact CD1-CB 4.25Å; F386-E472 PolarHBondContact N-O 2.96Å; F386-E472 PolarHBondContact O-N 3.48Å; F386-P525 HydrophobicContact CB-CB 3.55Å; F386-P525 HydrophobicContact CB-CG 3.56Å; F386-P525 HydrophobicContact CD1-CB 4.23Å; F386-P525 HydrophobicContact CG-CB 4.03Å
387	I	96.6	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.4	-173.5	64.3	169.3	0	0	0	110.7	T381 D385 Y389 N412 I413 L415 L428 L468 E470 I471	T381-I387 HydrophobicContact CG2-CG2 3.66Å; D385-I387 HydrophobicContact CB-CG2 4.12Å; I387-Y389 HydrophobicContact CD1-CD1 4.24Å; I387-Y389 HydrophobicContact CG1-CD1 4.39Å; I387-N412 WeakPolarHBondContact O-CA 3.14Å; I387-I413 HydrophobicContact CD1-CD1 4.11Å; I387-I413 HydrophobicContact CD1-CG1 3.94Å; I387-I413 HydrophobicContact CG1-CD1 4.3Å; I387-I413 HydrophobicContact CG1-CG1 3.57Å; I387-I413 PolarHBondContact N-O 3.02Å; I387-I413 PolarHBondContact O-N 3.3Å; I387-L415 HydrophobicContact CD1-CD1 4.17Å; I387-L428 HydrophobicContact CD1-CB 4.12Å; I387-L428 HydrophobicContact CD1-CD1 3.97Å; I387-L428 HydrophobicContact CD1-CG 4.49Å; I387-L468 HydrophobicContact CB-CD1 4Å; I387-L468 HydrophobicContact CD1-CD1 4.44Å; I387-L468 HydrophobicContact CG2-CD1 4.44Å; I387-E470 WeakPolarHBondContact CA-O 3.43Å; I387-I471 HydrophobicContact CG2-CG1 4.45Å; I387-I471 HydrophobicContact CG2-CG2 4.36Å
388	K	97.3	Very high	93.2	Very high	49 Å²	49	47.6 Å²	47.6	21%	0.213	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.7	169.5	-52.9	-174.1	-166.9	145	0	108.3	F386 T410 Y411 N412 V469 E470	F386-K388 HydrophobicContact CE1-CG 4.39Å; K388-T410 HydrophobicContact CB-CG2 4.27Å; K388-Y411 WeakPolarHBondContact CA-O 3.1Å; K388-N412 HydrophobicContact CG-CB 4.42Å; K388-N412 WeakPolarHBondContact CG-OD1 3.15Å; K388-V469 WeakPolarHBondContact O-CA 3.36Å; K388-V469 WeakPolarHBondContact O-CB 3.39Å; K388-V469 PolarHBondContact O-N 3.11Å; K388-E470 HydrophobicContact CB-CB 4.07Å; K388-E470 HydrophobicContact CD-CB 4.38Å; K388-E470 WeakPolarHBondContact CD-OE2 3.4Å; K388-E470 WeakPolarHBondContact CE-OE2 3.22Å; K388-E470 HydrophobicContact CG-CB 4.27Å; K388-E470 PolarHBondContact N-O 3.21Å; K388-E470 VanDerWaalsContact NZ-CD 3.35Å; K388-E470 IonicContact NZ-OE1 3.37Å; K388-E470 PolarHBondContact NZ-OE1 3.25Å; K388-E470 IonicContact NZ-OE2 3.25Å; K388-E470 PolarHBondContact NZ-OE2 2.83Å; K388-E470 PolarHBondContact O-N 2.95Å; K388-E470 VanDerWaalsContact O-N 3.09Å
389	Y	97.7	Very high	93.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.2	-178.6	69.1	-78.6	0	0	0	111.4	I387 Y391 Y411 I413 M424 L428 V466 E467	I387-Y389 HydrophobicContact CD1-CD1 4.24Å; I387-Y389 HydrophobicContact CG1-CD1 4.39Å; Y389-Y391 HydrophobicContact CD2-CD1 4.38Å; Y389-Y391 AromaticContact CE2-CD1 3.7Å; Y389-Y391 HydrophobicContact CE2-CD1 3.7Å; Y389-Y391 HydrophobicContact CE2-CG 4.34Å; Y389-Y411 WeakPolarHBondContact CD1-O 3.17Å; Y389-Y411 AromaticContact CE1-CD1 3.89Å; Y389-Y411 HydrophobicContact CE1-CD1 3.89Å; Y389-Y411 HydrophobicContact CE1-CG 4.46Å; Y389-Y411 AromaticContact CZ-CD1 3.83Å; Y389-Y411 PolarHBondContact N-O 2.69Å; Y389-Y411 PolarHBondContact O-N 2.93Å; Y389-Y411 WeakPolarHBondContact OH-CD1 3.45Å; Y389-I413 HydrophobicContact CE1-CD1 4.02Å; Y389-I413 HydrophobicContact CE1-CG1 4.04Å; Y389-I413 HydrophobicContact CE1-CG2 4.5Å; Y389-M424 HydrophobicContact CE2-SD 4.24Å; Y389-L428 HydrophobicContact CD1-CD1 4.15Å; Y389-L428 HydrophobicContact CD2-CD1 4.41Å; Y389-L428 HydrophobicContact CD2-CD2 4.09Å; Y389-L428 HydrophobicContact CE1-CD1 3.74Å; Y389-L428 HydrophobicContact CE2-CD1 4Å; Y389-L428 HydrophobicContact CE2-CD2 4.34Å; Y389-L428 HydrophobicContact CG-CD1 4.48Å; Y389-L428 HydrophobicContact CG-CD2 4.24Å; Y389-V466 HydrophobicContact CD2-CG1 4.45Å; Y389-E467 CarbonylContact C-O 3.54Å; Y389-E467 VanDerWaalsContact CA-O 3.26Å; Y389-E467 WeakPolarHBondContact CA-O 3.24Å; Y389-E467 VanDerWaalsContact CB-O 3.31Å; Y389-E467 WeakPolarHBondContact CB-O 3.4Å
390	H	98.1	Very high	93.5	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.167	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146.9	165.8	-79.8	-61.1	0	0	0	109.9	T404 H405 V466 E467	H390-T404 VanDerWaalsContact CA-OG1 3.3Å; H390-T404 WeakPolarHBondContact CA-OG1 3.02Å; H390-T404 PolarHBondContact ND1-OG1 3.13Å; H390-H405 AromaticContact CD2-CE1 3.8Å; H390-H405 AromaticContact CG-CE1 3.49Å; H390-H405 VanDerWaalsContact CG-CE1 3.49Å; H390-H405 AromaticContact CG-NE2 3.84Å; H390-H405 AromaticContact ND1-CE1 3.7Å; H390-H405 AromaticContact ND1-ND1 3.87Å; H390-V466 CarbonylContact O-C 3.49Å; H390-V466 VanDerWaalsContact O-CA 3.26Å; H390-V466 WeakPolarHBondContact O-CA 3.28Å; H390-E467 HydrophobicContact CB-CB 4.4Å; H390-E467 PolarHBondContact N-O 2.63Å; H390-E467 PolarHBondContact O-N 3.41Å
391	Y	97.4	Very high	93.4	Very high	26 Å²	26	41.5 Å²	41.5	10%	0.102	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.9	167.5	74.1	-99.2	0	0	0	112.7	Y389 D402 S403 T404 Y411 F464 E465	Y389-Y391 HydrophobicContact CD2-CD1 4.38Å; Y389-Y391 AromaticContact CE2-CD1 3.7Å; Y389-Y391 HydrophobicContact CE2-CD1 3.7Å; Y389-Y391 HydrophobicContact CE2-CG 4.34Å; Y391-D402 HydrophobicContact CE2-CB 4.18Å; Y391-D402 PolarHBondContact OH-OD2 3.35Å; Y391-S403 WeakPolarHBondContact O-CA 2.99Å; Y391-S403 PolarHBondContact O-OG 3.22Å; Y391-T404 HydrophobicContact CD1-CG2 3.32Å; Y391-T404 HydrophobicContact CE1-CG2 3.32Å; Y391-T404 HydrophobicContact CG-CG2 4.01Å; Y391-T404 PolarHBondContact N-OG1 2.8Å; Y391-T404 PolarHBondContact O-N 2.93Å; Y391-T404 PolarHBondContact O-OG1 2.87Å; Y391-T404 VanDerWaalsContact O-OG1 3.09Å; Y391-Y411 HydrophobicContact CE1-CD2 4.08Å; Y391-Y411 HydrophobicContact CE1-CG 4.02Å; Y391-F464 AromaticContact CD2-CD1 3.87Å; Y391-F464 HydrophobicContact CD2-CD1 3.87Å; Y391-F464 HydrophobicContact CD2-CE1 4.01Å; Y391-F464 HydrophobicContact CE2-CE1 4.19Å; Y391-F464 HydrophobicContact CG-CD1 4.4Å; Y391-E465 CarbonylContact C-O 3.56Å; Y391-E465 WeakPolarHBondContact CA-O 3.46Å
392	N	97.1	Very high	93.2	Very high	56 Å²	56	43.8 Å²	43.8	30%	0.299	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.1	163.3	-174.1	21.8	0	0	0	108.7	F464 E465	N392-F464 WeakPolarHBondContact O-CA 3.44Å; N392-E465 HydrophobicContact CB-CB 4.49Å; N392-E465 PolarHBondContact N-O 2.76Å; N392-E465 PolarHBondContact O-N 2.84Å
393	G	96.3	Very high	93.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.5	-178	0	0	0	0	0	111.1	I401 D402 L463	G393-I401 PolarHBondContact O-N 3.39Å; G393-D402 WeakPolarHBondContact CA-O 3.33Å; G393-D402 PolarHBondContact N-O 3.37Å; G393-D402 PolarHBondContact O-N 2.02Å; G393-L463 WeakPolarHBondContact CA-O 3.43Å
394	T	95.5	Very high	93.5	Very high	21 Å²	21	33.1 Å²	33.1	13%	0.129	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.9	-179.1	58.4	0	0	0	0	110.4	T399 L463	T394-T399 CarbonylContact C-O 3.53Å; T394-T399 WeakPolarHBondContact CA-O 3.4Å; T394-T399 WeakPolarHBondContact CB-O 3.37Å; T394-L463 PolarHBondContact N-O 3.45Å; T394-L463 PolarHBondContact O-N 3.35Å; T394-L463 PolarHBondContact OG1-O 2.64Å
395	L	91.6	Very high	93.7	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.073	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	164.1	159.9	-57.7	-176.9	0	0	0	109.8	D397 G398 T399 I401 P457 A460 M462	L395-D397 WeakPolarHBondContact CB-OD1 3.38Å; L395-D397 PolarHBondContact O-N 3.33Å; L395-G398 WeakPolarHBondContact O-CA 3.47Å; L395-G398 PolarHBondContact O-N 2.98Å; L395-T399 HydrophobicContact CD1-CG2 4.36Å; L395-T399 PolarHBondContact N-O 3.08Å; L395-I401 HydrophobicContact CD1-CD1 4.29Å; L395-I401 HydrophobicContact CD2-CD1 4.02Å; L395-I401 HydrophobicContact CD2-CG1 4.09Å; L395-I401 HydrophobicContact CG-CD1 3.78Å; L395-I401 HydrophobicContact CG-CG1 4.09Å; L395-P457 HydrophobicContact CD1-CG 4.14Å; L395-A460 HydrophobicContact CD2-CB 4.04Å; L395-M462 HydrophobicContact CD2-SD 3.85Å
396	L	87.6	Confident	93.5	Very high	36 Å²	36	42 Å²	42	19%	0.188	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.1	179.5	-85.5	176.4	0	0	0	114.8	I321 D358 G398 L440 V461	I321-L396 HydrophobicContact CD1-CD1 3.7Å; I321-L396 HydrophobicContact CG2-CB 4.25Å; I321-L396 HydrophobicContact CG2-CD1 4.18Å; D358-L396 HydrophobicContact CB-CB 4.35Å; D358-L396 HydrophobicContact CB-CD1 3.65Å; L396-G398 PolarHBondContact O-N 3.49Å; L396-L440 HydrophobicContact CD1-CD1 4.08Å; L396-L440 HydrophobicContact CD2-CD1 3.48Å; L396-L440 VanDerWaalsContact CD2-CD1 3.48Å; L396-L440 HydrophobicContact CG-CD1 3.91Å; L396-V461 HydrophobicContact CD1-CB 3.87Å; L396-V461 HydrophobicContact CD1-CG1 3.91Å; L396-V461 HydrophobicContact CG-CG1 4.49Å
397	D	82.1	Confident	93.3	Very high	90 Å²	90	47.6 Å²	47.6	48%	0.481	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.2	172.7	69.3	1.7	0	0	0	113.4	L395 T399	L395-D397 WeakPolarHBondContact CB-OD1 3.38Å; L395-D397 PolarHBondContact O-N 3.33Å; D397-T399 VanDerWaalsContact CG-OG1 3.31Å; D397-T399 WeakPolarHBondContact OD1-CB 3.2Å; D397-T399 PolarHBondContact OD1-N 3Å; D397-T399 PolarHBondContact OD1-OG1 3.15Å; D397-T399 PolarHBondContact OD2-OG1 3.19Å
398	G	87.5	Confident	92.9	Very high	50 Å²	50	51 Å²	51	52%	0.515	30%	0.299	S	S	.	.			trans	89.7	0.5	-179.1	0	0	0	0	0	114.6	L395 L396 P400	L395-G398 WeakPolarHBondContact O-CA 3.47Å; L395-G398 PolarHBondContact O-N 2.98Å; L396-G398 PolarHBondContact O-N 3.49Å; G398-P400 WeakPolarHBondContact O-CD 3.5Å
399	T	89.5	Confident	92.8	Very high	63 Å²	63	55.5 Å²	55.5	39%	0.387	32%	0.319	S	S	.	.			trans	-60.1	120.8	176.1	-59.3	0	0	0	0	110.1	T394 L395 D397	T394-T399 CarbonylContact C-O 3.53Å; T394-T399 WeakPolarHBondContact CA-O 3.4Å; T394-T399 WeakPolarHBondContact CB-O 3.37Å; L395-T399 HydrophobicContact CD1-CG2 4.36Å; L395-T399 PolarHBondContact N-O 3.08Å; D397-T399 VanDerWaalsContact CG-OG1 3.31Å; D397-T399 WeakPolarHBondContact OD1-CB 3.2Å; D397-T399 PolarHBondContact OD1-N 3Å; D397-T399 PolarHBondContact OD1-OG1 3.15Å; D397-T399 PolarHBondContact OD2-OG1 3.19Å
400	P	93.2	Very high	92.7	Very high	100 Å²	100	57 Å²	57	65%	0.649	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.2	178.9	29.2	-33.6	0	0	0	110.9	G398	G398-P400 WeakPolarHBondContact O-CD 3.5Å
401	I	93.8	Very high	92.6	Very high	41 Å²	41	60 Å²	60	21%	0.21	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-60.9	177.3	-59.2	-51.1	0	0	0	110.2	G393 L395 Q455 V456 M462	G393-I401 PolarHBondContact O-N 3.39Å; L395-I401 HydrophobicContact CD1-CD1 4.29Å; L395-I401 HydrophobicContact CD2-CD1 4.02Å; L395-I401 HydrophobicContact CD2-CG1 4.09Å; L395-I401 HydrophobicContact CG-CD1 3.78Å; L395-I401 HydrophobicContact CG-CG1 4.09Å; I401-Q455 VanDerWaalsContact CD1-O 3.22Å; I401-Q455 WeakPolarHBondContact CD1-O 3.36Å; I401-V456 HydrophobicContact CG2-CG2 3.83Å; I401-M462 HydrophobicContact CB-CE 4.3Å; I401-M462 HydrophobicContact CG1-CE 3.96Å; I401-M462 HydrophobicContact CG2-CE 4.18Å
402	D	92.6	Very high	92.4	Very high	52 Å²	52	62.1 Å²	62.1	28%	0.278	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	151.7	-178.6	-165.2	5.8	0	0	0	111.3	Y391 G393 Y407	Y391-D402 HydrophobicContact CE2-CB 4.18Å; Y391-D402 PolarHBondContact OH-OD2 3.35Å; G393-D402 WeakPolarHBondContact CA-O 3.33Å; G393-D402 PolarHBondContact N-O 3.37Å; G393-D402 PolarHBondContact O-N 2.02Å; D402-Y407 WeakPolarHBondContact OD1-CE2 3.49Å; D402-Y407 PolarHBondContact OD1-OH 3.42Å
403	S	95.6	Very high	92.3	Very high	11 Å²	11	59.6 Å²	59.6	8%	0.077	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	133.1	173.2	-177.1	0	0	0	0	112.3	Y391 H405 S406 Y407	Y391-S403 WeakPolarHBondContact O-CA 2.99Å; Y391-S403 PolarHBondContact O-OG 3.22Å; S403-H405 PolarHBondContact O-N 3.09Å; S403-H405 PolarHBondContact OG-N 2.57Å; S403-S406 VanDerWaalsContact O-CB 3.26Å; S403-S406 WeakPolarHBondContact O-CB 3.22Å; S403-S406 PolarHBondContact O-N 2.89Å; S403-S406 PolarHBondContact O-OG 3.06Å; S403-Y407 WeakPolarHBondContact O-CD2 3.38Å
404	T	96.6	Very high	92.1	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-57.6	-30.1	171.4	54.6	0	0	0	0	113.6	H390 Y391 S406 Y407 G408 K409	H390-T404 VanDerWaalsContact CA-OG1 3.3Å; H390-T404 WeakPolarHBondContact CA-OG1 3.02Å; H390-T404 PolarHBondContact ND1-OG1 3.13Å; Y391-T404 HydrophobicContact CD1-CG2 3.32Å; Y391-T404 HydrophobicContact CE1-CG2 3.32Å; Y391-T404 HydrophobicContact CG-CG2 4.01Å; Y391-T404 PolarHBondContact N-OG1 2.8Å; Y391-T404 PolarHBondContact O-N 2.93Å; Y391-T404 PolarHBondContact O-OG1 2.87Å; Y391-T404 VanDerWaalsContact O-OG1 3.09Å; T404-S406 VanDerWaalsContact C-N 3.25Å; T404-S406 PolarHBondContact O-N 3.09Å; T404-Y407 PolarHBondContact O-N 3.1Å; T404-Y407 VanDerWaalsContact O-N 3.13Å; T404-G408 PolarHBondContact O-N 2.81Å; T404-K409 WeakPolarHBondContact CB-O 3.41Å
405	H	92.4	Very high	92.1	Very high	111 Å²	111	59.3 Å²	59.3	51%	0.514	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-29.6	178.3	-66.6	-68.3	0	0	0	112.1	H390 S403 Y407 G408	H390-H405 AromaticContact CD2-CE1 3.8Å; H390-H405 AromaticContact CG-CE1 3.49Å; H390-H405 VanDerWaalsContact CG-CE1 3.49Å; H390-H405 AromaticContact CG-NE2 3.84Å; H390-H405 AromaticContact ND1-CE1 3.7Å; H390-H405 AromaticContact ND1-ND1 3.87Å; S403-H405 PolarHBondContact O-N 3.09Å; S403-H405 PolarHBondContact OG-N 2.57Å; H405-Y407 PolarHBondContact O-N 2.93Å; H405-G408 PolarHBondContact O-N 3.11Å
406	S	90.9	Very high	92	Very high	97 Å²	97	60 Å²	60	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-63.8	-25.8	174.9	-56	0	0	0	0	112.6	S403 T404	S403-S406 VanDerWaalsContact O-CB 3.26Å; S403-S406 WeakPolarHBondContact O-CB 3.22Å; S403-S406 PolarHBondContact O-N 2.89Å; S403-S406 PolarHBondContact O-OG 3.06Å; T404-S406 VanDerWaalsContact C-N 3.25Å; T404-S406 PolarHBondContact O-N 3.09Å
407	Y	89.6	Confident	92.1	Very high	142 Å²	142	60.4 Å²	60.4	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-98.9	-7.2	179.4	-51	-59.7	0	0	0	113.6	D402 S403 T404 H405 K409	D402-Y407 WeakPolarHBondContact OD1-CE2 3.49Å; D402-Y407 PolarHBondContact OD1-OH 3.42Å; S403-Y407 WeakPolarHBondContact O-CD2 3.38Å; T404-Y407 PolarHBondContact O-N 3.1Å; T404-Y407 VanDerWaalsContact O-N 3.13Å; H405-Y407 PolarHBondContact O-N 2.93Å; Y407-K409 PolarHBondContact O-N 2.61Å
408	G	89.5	Confident	92.4	Very high	71 Å²	71	62.7 Å²	62.7	73%	0.732	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	20.9	-179	0	0	0	0	0	114.7	T404 H405	T404-G408 PolarHBondContact O-N 2.81Å; H405-G408 PolarHBondContact O-N 3.11Å
409	K	93.7	Very high	92.6	Very high	144 Å²	144	64.1 Å²	64.1	63%	0.626	36%	0.361	S	S	*	.	S	Bend	trans	-140.5	154.9	178.9	64.1	178.8	-178.2	176.3	0	111.1	T404 Y407	T404-K409 WeakPolarHBondContact CB-O 3.41Å; Y407-K409 PolarHBondContact O-N 2.61Å
410	T	95.2	Very high	92.8	Very high	34 Å²	34	62.4 Å²	62.4	21%	0.209	35%	0.35	C	S	.	.			trans	-70.7	156.1	172.8	51.9	0	0	0	0	111.2	K388 N412 V469	K388-T410 HydrophobicContact CB-CG2 4.27Å; T410-N412 WeakPolarHBondContact CB-OD1 3.41Å; T410-N412 PolarHBondContact OG1-OD1 3.34Å; T410-V469 HydrophobicContact CG2-CB 4.25Å; T410-V469 HydrophobicContact CG2-CG1 4.33Å; T410-V469 HydrophobicContact CG2-CG2 3.99Å
411	Y	96.1	Very high	92.9	Very high	98 Å²	98	58.9 Å²	58.9	38%	0.384	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.7	162	-152.9	-101	0	0	0	108.5	K388 Y389 Y391 I413 V420	K388-Y411 WeakPolarHBondContact CA-O 3.1Å; Y389-Y411 WeakPolarHBondContact CD1-O 3.17Å; Y389-Y411 AromaticContact CE1-CD1 3.89Å; Y389-Y411 HydrophobicContact CE1-CD1 3.89Å; Y389-Y411 HydrophobicContact CE1-CG 4.46Å; Y389-Y411 AromaticContact CZ-CD1 3.83Å; Y389-Y411 PolarHBondContact N-O 2.69Å; Y389-Y411 PolarHBondContact O-N 2.93Å; Y389-Y411 WeakPolarHBondContact OH-CD1 3.45Å; Y391-Y411 HydrophobicContact CE1-CD2 4.08Å; Y391-Y411 HydrophobicContact CE1-CG 4.02Å; Y411-I413 HydrophobicContact CD1-CG2 3.64Å; Y411-I413 HydrophobicContact CE1-CG2 3.51Å; Y411-V420 HydrophobicContact CD1-CG1 4.24Å; Y411-V420 HydrophobicContact CE1-CG1 3.62Å
412	N	94.9	Very high	93.1	Very high	71 Å²	71	60 Å²	60	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.4	-170.4	-56	-11.7	0	0	0	108.9	F386 I387 K388 T410	F386-N412 HydrophobicContact CE2-CB 3.87Å; F386-N412 HydrophobicContact CZ-CB 3.73Å; I387-N412 WeakPolarHBondContact O-CA 3.14Å; K388-N412 HydrophobicContact CG-CB 4.42Å; K388-N412 WeakPolarHBondContact CG-OD1 3.15Å; T410-N412 WeakPolarHBondContact CB-OD1 3.41Å; T410-N412 PolarHBondContact OG1-OD1 3.34Å
413	I	94.6	Very high	93.3	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.6	-178.1	66.1	172.5	0	0	0	111.5	F386 I387 Y389 Y411 L415 Q419 V420 L428	F386-I413 WeakPolarHBondContact CA-O 3.49Å; F386-I413 VanDerWaalsContact CD2-O 3.29Å; F386-I413 WeakPolarHBondContact CD2-O 3.24Å; I387-I413 HydrophobicContact CD1-CD1 4.11Å; I387-I413 HydrophobicContact CD1-CG1 3.94Å; I387-I413 HydrophobicContact CG1-CD1 4.3Å; I387-I413 HydrophobicContact CG1-CG1 3.57Å; I387-I413 PolarHBondContact N-O 3.02Å; I387-I413 PolarHBondContact O-N 3.3Å; Y389-I413 HydrophobicContact CE1-CD1 4.02Å; Y389-I413 HydrophobicContact CE1-CG1 4.04Å; Y389-I413 HydrophobicContact CE1-CG2 4.5Å; Y411-I413 HydrophobicContact CD1-CG2 3.64Å; Y411-I413 HydrophobicContact CE1-CG2 3.51Å; I413-L415 HydrophobicContact CD1-CD1 4.39Å; I413-Q419 HydrophobicContact CB-CB 4.26Å; I413-Q419 HydrophobicContact CG2-CB 4.05Å; I413-V420 HydrophobicContact CD1-CG1 4.16Å; I413-V420 HydrophobicContact CD1-CG2 3.73Å; I413-V420 HydrophobicContact CG2-CG1 3.93Å; I413-L428 HydrophobicContact CD1-CD1 3.94Å
414	V	92.6	Very high	93.4	Very high	14 Å²	14	57.3 Å²	57.3	9%	0.085	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.8	162.7	-179.4	0	0	0	0	107.7	D385 F386 G416 A417 P525 F527	D385-V414 WeakPolarHBondContact O-CA 3.46Å; F386-V414 HydrophobicContact CB-CG2 4.48Å; F386-V414 HydrophobicContact CD2-CG2 3.94Å; V414-G416 PolarHBondContact O-N 2.84Å; V414-A417 HydrophobicContact CB-CB 3.92Å; V414-A417 HydrophobicContact CG1-CB 4.15Å; V414-A417 WeakPolarHBondContact O-CB 3.47Å; V414-A417 PolarHBondContact O-N 3.25Å; V414-P525 VanDerWaalsContact CG2-O 3.3Å; V414-P525 WeakPolarHBondContact CG2-O 3.49Å; V414-F527 HydrophobicContact CB-CE2 4.42Å; V414-F527 HydrophobicContact CG1-CE2 4.5Å; V414-F527 HydrophobicContact CG2-CD2 4.37Å; V414-F527 HydrophobicContact CG2-CE2 3.72Å; V414-F527 HydrophobicContact CG2-CZ 4.13Å
415	L	93.7	Very high	93.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	126.8	-172.5	-168.3	63.1	0	0	0	110.8	G384 D385 I387 I413 E425 L428 M429	G384-L415 PolarHBondContact N-O 3.14Å; D385-L415 PolarHBondContact O-N 3.03Å; I387-L415 HydrophobicContact CD1-CD1 4.17Å; I413-L415 HydrophobicContact CD1-CD1 4.39Å; L415-E425 WeakPolarHBondContact CD1-OE2 3.22Å; L415-L428 HydrophobicContact CD1-CB 3.92Å; L415-M429 HydrophobicContact CD2-CG 4.14Å; L415-M429 HydrophobicContact CD2-SD 3.37Å; L415-M429 WeakPolarHBondContact CD2-SD 3.45Å; L415-M429 HydrophobicContact CG-SD 3.86Å
416	G	90.4	Very high	93.5	Very high	30 Å²	30	56.9 Å²	56.9	31%	0.309	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	8.2	-174.6	0	0	0	0	0	115.3	V414 N418 E425	V414-G416 PolarHBondContact O-N 2.84Å; G416-N418 VanDerWaalsContact C-N 3.27Å; G416-E425 WeakPolarHBondContact CA-OE2 3.27Å; G416-E425 PolarHBondContact N-OE2 3.26Å
417	A	89.3	Confident	93.7	Very high	43 Å²	43	52.2 Å²	52.2	36%	0.355	29%	0.29	S	S	.	.	S	Bend	trans	-86.7	8.3	171.4	0	0	0	0	0	113.3	V414 Q419	V414-A417 HydrophobicContact CB-CB 3.92Å; V414-A417 HydrophobicContact CG1-CB 4.15Å; V414-A417 WeakPolarHBondContact O-CB 3.47Å; V414-A417 PolarHBondContact O-N 3.25Å; A417-Q419 VanDerWaalsContact C-N 3.3Å; A417-Q419 HydrophobicContact CB-CG 4.1Å; A417-Q419 PolarHBondContact O-N 3.05Å
418	N	89.4	Confident	94.1	Very high	138 Å²	138	45.5 Å²	45.5	74%	0.738	26%	0.264	S	S	*	.	S	Bend	trans	56.6	41.2	-177.5	-57.5	-52.1	0	0	0	112.7	G416 E425	G416-N418 VanDerWaalsContact C-N 3.27Å; N418-E425 WeakPolarHBondContact CA-OE1 3.32Å; N418-E425 PolarHBondContact N-OE1 2.8Å
419	Q	91	Very high	94.4	Very high	81 Å²	81	45.7 Å²	45.7	38%	0.379	25%	0.246	S	C	.	.			trans	-89.7	-17.5	179.2	-70.5	-178.5	-30.8	0	0	112.1	I413 A417 E425	I413-Q419 HydrophobicContact CB-CB 4.26Å; I413-Q419 HydrophobicContact CG2-CB 4.05Å; A417-Q419 VanDerWaalsContact C-N 3.3Å; A417-Q419 HydrophobicContact CB-CG 4.1Å; A417-Q419 PolarHBondContact O-N 3.05Å; Q419-E425 PolarHBondContact N-OE1 2.97Å
420	V	94.6	Very high	94.5	Very high	26 Å²	26	42.8 Å²	42.8	16%	0.158	24%	0.238	C	C	.	.	S	Bend	trans	-125.2	173	174	-67.8	0	0	0	0	110.5	Y411 I413 M424 E425	Y411-V420 HydrophobicContact CD1-CG1 4.24Å; Y411-V420 HydrophobicContact CE1-CG1 3.62Å; I413-V420 HydrophobicContact CD1-CG1 4.16Å; I413-V420 HydrophobicContact CD1-CG2 3.73Å; I413-V420 HydrophobicContact CG2-CG1 3.93Å; V420-M424 HydrophobicContact CB-CB 4.06Å; V420-M424 HydrophobicContact CB-CG 4.03Å; V420-M424 HydrophobicContact CG1-CG 4.49Å; V420-M424 HydrophobicContact CG2-CB 3.79Å; V420-M424 HydrophobicContact CG2-CG 3.75Å; V420-E425 HydrophobicContact CG2-CG 3.79Å; V420-E425 WeakPolarHBondContact CG2-OE1 3.47Å; V420-E425 PolarHBondContact N-OE1 2.89Å
421	V	95.6	Very high	94.6	Very high	26 Å²	26	41.2 Å²	41.2	16%	0.158	23%	0.228	C	C	.	.			trans	-61.2	146.8	177.1	-62.2	0	0	0	0	110.9	G423 M424 E425 I441 Y447	V421-G423 VanDerWaalsContact C-N 3.26Å; V421-G423 PolarHBondContact O-N 3.36Å; V421-G423 VanDerWaalsContact O-N 3.12Å; V421-M424 HydrophobicContact CG2-CB 3.79Å; V421-M424 WeakPolarHBondContact O-CA 3.32Å; V421-M424 WeakPolarHBondContact O-CB 3.43Å; V421-M424 PolarHBondContact O-N 2.98Å; V421-E425 PolarHBondContact O-N 3.3Å; V421-I441 HydrophobicContact CG2-CD1 4.41Å; V421-Y447 HydrophobicContact CG1-CE1 4.25Å
422	P	96.6	Very high	94.6	Very high	66 Å²	66	36.6 Å²	36.6	43%	0.429	21%	0.21	S	C	.	.	H	α-helix	trans	-50.9	-41.4	-174.4	-30.3	35.6	0	0	0	114.4	M424 E425 D426 L445	P422-M424 VanDerWaalsContact C-N 3.26Å; P422-M424 PolarHBondContact O-N 2.88Å; P422-E425 WeakPolarHBondContact O-CB 3.43Å; P422-E425 PolarHBondContact O-N 3.14Å; P422-D426 PolarHBondContact O-N 2.76Å; P422-L445 HydrophobicContact CB-CD2 4.17Å; P422-L445 WeakPolarHBondContact CD-O 3.44Å
423	G	96.7	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-24.8	179.7	0	0	0	0	0	114.3	T366 V421 G427 L445	T366-G423 WeakPolarHBondContact CG2-O 3.46Å; T366-G423 WeakPolarHBondContact OG1-CA 3.45Å; V421-G423 VanDerWaalsContact C-N 3.26Å; V421-G423 PolarHBondContact O-N 3.36Å; V421-G423 VanDerWaalsContact O-N 3.12Å; G423-G427 PolarHBondContact O-N 3.03Å; G423-L445 PolarHBondContact N-O 2.76Å
424	M	97.4	Very high	94.8	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-75.3	-38.8	173	-174.9	67.5	73.7	0	0	110.6	Y389 V420 V421 P422 D426 G427 L428 L439 I441 F464 V466	Y389-M424 HydrophobicContact CE2-SD 4.24Å; V420-M424 HydrophobicContact CB-CB 4.06Å; V420-M424 HydrophobicContact CB-CG 4.03Å; V420-M424 HydrophobicContact CG1-CG 4.49Å; V420-M424 HydrophobicContact CG2-CB 3.79Å; V420-M424 HydrophobicContact CG2-CG 3.75Å; V421-M424 HydrophobicContact CG2-CB 3.79Å; V421-M424 WeakPolarHBondContact O-CA 3.32Å; V421-M424 WeakPolarHBondContact O-CB 3.43Å; V421-M424 PolarHBondContact O-N 2.98Å; P422-M424 VanDerWaalsContact C-N 3.26Å; P422-M424 PolarHBondContact O-N 2.88Å; M424-D426 VanDerWaalsContact C-N 3.32Å; M424-D426 PolarHBondContact O-N 2.52Å; M424-G427 PolarHBondContact O-N 3.38Å; M424-L428 HydrophobicContact CG-CD1 3.69Å; M424-L428 HydrophobicContact CG-CG 4.26Å; M424-L428 WeakPolarHBondContact O-CB 3.43Å; M424-L428 VanDerWaalsContact O-CG 3.23Å; M424-L428 WeakPolarHBondContact O-CG 3.24Å; M424-L428 PolarHBondContact O-N 3.18Å; M424-L428 HydrophobicContact SD-CD1 3.92Å; M424-L428 HydrophobicContact SD-CD2 4.45Å; M424-L428 HydrophobicContact SD-CG 4.02Å; M424-L439 HydrophobicContact CE-CD1 4.48Å; M424-L439 HydrophobicContact SD-CD1 3.68Å; M424-I441 HydrophobicContact CB-CD1 4.28Å; M424-F464 HydrophobicContact CE-CB 3.82Å; M424-F464 HydrophobicContact CE-CD1 3.44Å; M424-F464 VanDerWaalsContact CE-CD1 3.44Å; M424-F464 HydrophobicContact CE-CD2 3.68Å; M424-F464 HydrophobicContact CE-CE1 3.81Å; M424-F464 HydrophobicContact CE-CE2 4.02Å; M424-F464 HydrophobicContact CE-CG 3.36Å; M424-F464 HydrophobicContact CE-CZ 4.08Å; M424-V466 HydrophobicContact CE-CG1 4.26Å; M424-V466 HydrophobicContact SD-CG1 3.96Å
425	E	95.8	Very high	95	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-55.6	-49.8	171.4	-60.3	-74.6	175.8	0	0	109.8	L415 G416 N418 Q419 V420 V421 P422 G427 L428 M429	L415-E425 WeakPolarHBondContact CD1-OE2 3.22Å; G416-E425 WeakPolarHBondContact CA-OE2 3.27Å; G416-E425 PolarHBondContact N-OE2 3.26Å; N418-E425 WeakPolarHBondContact CA-OE1 3.32Å; N418-E425 PolarHBondContact N-OE1 2.8Å; Q419-E425 PolarHBondContact N-OE1 2.97Å; V420-E425 HydrophobicContact CG2-CG 3.79Å; V420-E425 WeakPolarHBondContact CG2-OE1 3.47Å; V420-E425 PolarHBondContact N-OE1 2.89Å; V421-E425 PolarHBondContact O-N 3.3Å; P422-E425 WeakPolarHBondContact O-CB 3.43Å; P422-E425 PolarHBondContact O-N 3.14Å; E425-G427 PolarHBondContact O-N 2.99Å; E425-L428 PolarHBondContact O-N 3.35Å; E425-M429 WeakPolarHBondContact O-CG 3.34Å; E425-M429 PolarHBondContact O-N 3.08Å
426	D	95.4	Very high	95.2	Very high	92 Å²	92	40.3 Å²	40.3	49%	0.492	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-44.4	178.3	-66.9	-25.6	0	0	0	112.4	P422 M424 L428 M429	P422-D426 PolarHBondContact O-N 2.76Å; M424-D426 VanDerWaalsContact C-N 3.32Å; M424-D426 PolarHBondContact O-N 2.52Å; D426-L428 VanDerWaalsContact C-N 3.29Å; D426-L428 PolarHBondContact O-N 2.82Å; D426-M429 PolarHBondContact O-N 2.88Å
427	G	96.7	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-25	-176.6	0	0	0	0	0	114.7	G423 M424 E425 R437	G423-G427 PolarHBondContact O-N 3.03Å; M424-G427 PolarHBondContact O-N 3.38Å; E425-G427 PolarHBondContact O-N 2.99Å; G427-R437 WeakPolarHBondContact O-CD 3.32Å; G427-R437 PolarHBondContact O-NH1 2.8Å
428	L	97.7	Very high	95.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-91.2	-8.3	-179.9	-67.8	172.1	0	0	0	113.7	T381 I387 Y389 I413 L415 M424 E425 D426 M431 V466	T381-L428 WeakPolarHBondContact CB-O 3.46Å; T381-L428 PolarHBondContact OG1-O 3.36Å; I387-L428 HydrophobicContact CD1-CB 4.12Å; I387-L428 HydrophobicContact CD1-CD1 3.97Å; I387-L428 HydrophobicContact CD1-CG 4.49Å; Y389-L428 HydrophobicContact CD1-CD1 4.15Å; Y389-L428 HydrophobicContact CD2-CD1 4.41Å; Y389-L428 HydrophobicContact CD2-CD2 4.09Å; Y389-L428 HydrophobicContact CE1-CD1 3.74Å; Y389-L428 HydrophobicContact CE2-CD1 4Å; Y389-L428 HydrophobicContact CE2-CD2 4.34Å; Y389-L428 HydrophobicContact CG-CD1 4.48Å; Y389-L428 HydrophobicContact CG-CD2 4.24Å; I413-L428 HydrophobicContact CD1-CD1 3.94Å; L415-L428 HydrophobicContact CD1-CB 3.92Å; M424-L428 HydrophobicContact CG-CD1 3.69Å; M424-L428 HydrophobicContact CG-CG 4.26Å; M424-L428 WeakPolarHBondContact O-CB 3.43Å; M424-L428 VanDerWaalsContact O-CG 3.23Å; M424-L428 WeakPolarHBondContact O-CG 3.24Å; M424-L428 PolarHBondContact O-N 3.18Å; M424-L428 HydrophobicContact SD-CD1 3.92Å; M424-L428 HydrophobicContact SD-CD2 4.45Å; M424-L428 HydrophobicContact SD-CG 4.02Å; E425-L428 PolarHBondContact O-N 3.35Å; D426-L428 VanDerWaalsContact C-N 3.29Å; D426-L428 PolarHBondContact O-N 2.82Å; L428-M431 HydrophobicContact CD2-SD 4.06Å; L428-M431 WeakPolarHBondContact O-CB 3.38Å; L428-V466 HydrophobicContact CD2-CB 4.36Å; L428-V466 HydrophobicContact CD2-CG2 4.23Å
429	M	96.1	Very high	96.3	Very high	74 Å²	74	36.3 Å²	36.3	37%	0.365	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	149.6	175.5	-75.6	-70	-64.7	0	0	112.5	L415 E425 D426 M431 R437	L415-M429 HydrophobicContact CD2-CG 4.14Å; L415-M429 HydrophobicContact CD2-SD 3.37Å; L415-M429 WeakPolarHBondContact CD2-SD 3.45Å; L415-M429 HydrophobicContact CG-SD 3.86Å; E425-M429 WeakPolarHBondContact O-CG 3.34Å; E425-M429 PolarHBondContact O-N 3.08Å; D426-M429 PolarHBondContact O-N 2.88Å; M429-M431 PolarHBondContact O-N 3.28Å; M429-R437 PolarHBondContact O-NH1 2.89Å
430	D	95.8	Very high	96.5	Very high	84 Å²	84	34.2 Å²	34.2	45%	0.449	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	32	176	-165.9	44.3	0	0	0	113.9	R380 T381 R437	R380-D430 WeakPolarHBondContact CD-OD1 3.47Å; R380-D430 IonicContact CZ-OD1 3.07Å; R380-D430 IonicContact NE-OD1 3.18Å; R380-D430 IonicContact NH1-OD1 3.96Å; R380-D430 PolarHBondContact NH1-OD1 2.95Å; R380-D430 IonicContact NH1-OD2 2.61Å; R380-D430 PolarHBondContact NH1-OD2 3.16Å; T381-D430 PolarHBondContact O-N 3.42Å; T381-D430 PolarHBondContact OG1-N 3.11Å; D430-R437 PolarHBondContact O-NH2 3.03Å
431	M	96.5	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.			trans	-106.7	141.5	-173.7	-160.6	170.9	166.8	0	0	111.2	R380 T381 L428 M429 E435 R437 V466 L468	R380-M431 WeakPolarHBondContact CA-O 3.31Å; T381-M431 HydrophobicContact CG2-CB 4.46Å; T381-M431 PolarHBondContact N-O 3.08Å; T381-M431 PolarHBondContact OG1-N 3.2Å; L428-M431 HydrophobicContact CD2-SD 4.06Å; L428-M431 WeakPolarHBondContact O-CB 3.38Å; M429-M431 PolarHBondContact O-N 3.28Å; M431-E435 HydrophobicContact CE-CB 4.07Å; M431-E435 HydrophobicContact CE-CG 4.39Å; M431-E435 WeakPolarHBondContact CE-O 3.33Å; M431-E435 HydrophobicContact CG-CB 3.92Å; M431-E435 HydrophobicContact CG-CG 4.15Å; M431-R437 VanDerWaalsContact CA-NH2 3.34Å; M431-R437 HydrophobicContact CE-CB 4.4Å; M431-R437 HydrophobicContact CE-CG 3.98Å; M431-R437 HydrophobicContact SD-CG 4.17Å; M431-V466 HydrophobicContact CE-CG2 3.94Å; M431-V466 HydrophobicContact SD-CG2 4.32Å; M431-L468 HydrophobicContact CB-CD2 3.98Å; M431-L468 HydrophobicContact CE-CB 3.77Å; M431-L468 HydrophobicContact CG-CB 4.2Å; M431-L468 HydrophobicContact CG-CD2 4.08Å; M431-L468 WeakPolarHBondContact O-CD2 2.96Å; M431-L468 HydrophobicContact SD-CB 4.17Å
432	C	95.9	Very high	96.6	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-95.1	150.7	179.9	-34	0	0	0	0	111.5	C377 G434 E435 L468	C377-C432 HydrophobicContact CB-CB 3.7Å; C377-C432 WeakPolarHBondContact CB-SG 3.46Å; C377-C432 WeakPolarHBondContact SG-CB 3.12Å; C377-C432 CovalentContact SG-SG 2Å; C377-C432 PolarHBondContact SG-SG 3.04Å; C432-G434 PolarHBondContact O-N 3.08Å; C432-E435 HydrophobicContact CB-CB 4.26Å; C432-E435 PolarHBondContact N-OE2 2.85Å; C432-E435 WeakPolarHBondContact O-CB 3.41Å; C432-E435 PolarHBondContact O-N 3.1Å; C432-E435 PolarHBondContact SG-OE2 2.87Å; C432-L468 WeakPolarHBondContact O-CD2 3.17Å
433	V	96.7	Very high	96.5	Very high	70 Å²	70	29 Å²	29	42%	0.424	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	127.6	172.1	173.7	0	0	0	0	110	P374 E435 V469 I471	P374-V433 VanDerWaalsContact CG-O 3.31Å; P374-V433 WeakPolarHBondContact CG-O 3.48Å; V433-E435 VanDerWaalsContact C-N 3.33Å; V433-V469 VanDerWaalsContact CG1-O 3.26Å; V433-V469 WeakPolarHBondContact CG1-O 3.12Å; V433-I471 HydrophobicContact CG2-CB 4.31Å; V433-I471 HydrophobicContact CG2-CD1 3.83Å; V433-I471 HydrophobicContact CG2-CG1 3.66Å
434	G	96.1	Very high	96.4	Very high	21 Å²	21	33.1 Å²	33.1	22%	0.216	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-8	-175.2	0	0	0	0	0	114.7	Y372 P374 C432 L468	Y372-G434 VanDerWaalsContact CD1-O 3.23Å; Y372-G434 WeakPolarHBondContact CD1-O 3.31Å; Y372-G434 VanDerWaalsContact CE1-O 3.29Å; Y372-G434 WeakPolarHBondContact CE1-O 3.36Å; P374-G434 VanDerWaalsContact CG-C 3.48Å; C432-G434 PolarHBondContact O-N 3.08Å; G434-L468 WeakPolarHBondContact CA-O 3.3Å; G434-L468 PolarHBondContact N-O 2.92Å
435	E	97.8	Very high	96.3	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.014	17%	0.173	C	C	.	.			trans	-65.3	142.8	174.6	-167.3	178.5	151	0	0	110.9	V370 Y372 M431 C432 V433 R437 E467 L468	V370-E435 HydrophobicContact CG1-CG 4.08Å; V370-E435 WeakPolarHBondContact CG2-OE1 3.49Å; Y372-E435 WeakPolarHBondContact O-CA 3.44Å; Y372-E435 VanDerWaalsContact O-CG 3.24Å; Y372-E435 WeakPolarHBondContact O-CG 3.49Å; M431-E435 HydrophobicContact CE-CB 4.07Å; M431-E435 HydrophobicContact CE-CG 4.39Å; M431-E435 WeakPolarHBondContact CE-O 3.33Å; M431-E435 HydrophobicContact CG-CB 3.92Å; M431-E435 HydrophobicContact CG-CG 4.15Å; C432-E435 HydrophobicContact CB-CB 4.26Å; C432-E435 PolarHBondContact N-OE2 2.85Å; C432-E435 WeakPolarHBondContact O-CB 3.41Å; C432-E435 PolarHBondContact O-N 3.1Å; C432-E435 PolarHBondContact SG-OE2 2.87Å; V433-E435 VanDerWaalsContact C-N 3.33Å; E435-R437 HydrophobicContact CG-CG 4.5Å; E435-R437 IonicContact OE1-CZ 3.43Å; E435-R437 IonicContact OE1-NE 2.66Å; E435-R437 PolarHBondContact OE1-NE 2.89Å; E435-R437 IonicContact OE1-NH2 3.64Å; E435-R437 PolarHBondContact OE1-NH2 2.82Å; E435-R437 IonicContact OE2-NH2 3.77Å; E435-E467 WeakPolarHBondContact O-CA 3.31Å; E435-L468 PolarHBondContact O-N 3.38Å
436	K	98.1	Very high	96.3	Very high	73 Å²	73	34.5 Å²	34.5	32%	0.317	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.2	172.7	-49.9	-172.7	-173	-137.3	0	110.2	T371 Y372 V466 E467	T371-K436 PolarHBondContact N-O 2.9Å; T371-K436 VanDerWaalsContact OG1-C 3.29Å; T371-K436 WeakPolarHBondContact OG1-CB 3.3Å; T371-K436 PolarHBondContact OG1-O 3.18Å; T371-K436 VanDerWaalsContact OG1-O 3.08Å; Y372-K436 HydrophobicContact CD1-CG 4.18Å; Y372-K436 PolarHBondContact N-O 2.91Å; Y372-K436 VanDerWaalsContact N-O 3.17Å; Y372-K436 PolarHBondContact O-N 3.1Å; K436-V466 CarbonylContact C-O 3.58Å; K436-V466 WeakPolarHBondContact CA-O 3.39Å; K436-E467 HydrophobicContact CD-CB 4.49Å; K436-E467 WeakPolarHBondContact CE-OE1 3.03Å; K436-E467 HydrophobicContact CG-CB 4.07Å; K436-E467 HydrophobicContact CG-CG 4.12Å; K436-E467 IonicContact NZ-OE1 2.69Å; K436-E467 PolarHBondContact NZ-OE1 2.67Å; K436-E467 IonicContact NZ-OE2 3.69Å; K436-E467 PolarHBondContact NZ-OE2 2.76Å
437	R	98.2	Very high	96.3	Very high	17 Å²	17	34.7 Å²	34.7	6%	0.064	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.6	178.6	-64.8	177.1	177.6	-179.3	1.2	110.8	V368 T369 V370 G427 M429 D430 M431 E435 L439 E465 V466	V368-R437 HydrophobicContact CG1-CG 4.38Å; T369-R437 CarbonylContact O-C 3.6Å; T369-R437 VanDerWaalsContact O-CA 3.3Å; T369-R437 WeakPolarHBondContact O-CA 3.48Å; V370-R437 HydrophobicContact CG2-CG 4.28Å; G427-R437 WeakPolarHBondContact O-CD 3.32Å; G427-R437 PolarHBondContact O-NH1 2.8Å; M429-R437 PolarHBondContact O-NH1 2.89Å; D430-R437 PolarHBondContact O-NH2 3.03Å; M431-R437 VanDerWaalsContact CA-NH2 3.34Å; M431-R437 HydrophobicContact CE-CB 4.4Å; M431-R437 HydrophobicContact CE-CG 3.98Å; M431-R437 HydrophobicContact SD-CG 4.17Å; E435-R437 HydrophobicContact CG-CG 4.5Å; E435-R437 IonicContact OE1-CZ 3.43Å; E435-R437 IonicContact OE1-NE 2.66Å; E435-R437 PolarHBondContact OE1-NE 2.89Å; E435-R437 IonicContact OE1-NH2 3.64Å; E435-R437 PolarHBondContact OE1-NH2 2.82Å; E435-R437 IonicContact OE2-NH2 3.77Å; R437-L439 HydrophobicContact CB-CD2 3.96Å; R437-E465 CarbonylContact O-C 3.58Å; R437-E465 WeakPolarHBondContact O-CA 3.38Å; R437-V466 HydrophobicContact CB-CG2 3.69Å; R437-V466 PolarHBondContact N-O 3.05Å; R437-V466 PolarHBondContact O-N 2.84Å
438	R	96.9	Very high	96.1	Very high	109 Å²	109	35.8 Å²	35.8	41%	0.411	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.8	164.5	-176.5	175.7	177.3	-170	-1.2	107.5	T369 T371 L463 F464	T369-R438 PolarHBondContact N-O 3.25Å; T369-R438 PolarHBondContact O-N 2.88Å; T371-R438 HydrophobicContact CG2-CB 3.85Å; R438-L463 HydrophobicContact CG-CD1 3.63Å; R438-L463 HydrophobicContact CG-CG 4.44Å; R438-L463 VanDerWaalsContact NH2-CD2 3.31Å; R438-F464 CarbonylContact C-O 3.58Å; R438-F464 WeakPolarHBondContact CA-O 3.38Å
439	L	97.2	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.2	-177.8	-48.5	178.7	0	0	0	108.8	E367 V368 M424 R437 I441 L463 F464 V466	E367-L439 WeakPolarHBondContact O-CA 3.03Å; V368-L439 HydrophobicContact CB-CD2 4.26Å; V368-L439 HydrophobicContact CG1-CD2 3.84Å; V368-L439 HydrophobicContact CG2-CD2 3.98Å; M424-L439 HydrophobicContact CE-CD1 4.48Å; M424-L439 HydrophobicContact SD-CD1 3.68Å; R437-L439 HydrophobicContact CB-CD2 3.96Å; L439-I441 HydrophobicContact CB-CD1 4.48Å; L439-I441 HydrophobicContact CB-CG1 4.27Å; L439-L463 WeakPolarHBondContact O-CA 3.22Å; L439-F464 HydrophobicContact CB-CB 4.26Å; L439-F464 PolarHBondContact N-O 3.1Å; L439-F464 PolarHBondContact O-N 2.71Å; L439-V466 HydrophobicContact CD1-CG1 3.93Å; L439-V466 HydrophobicContact CD1-CG2 3.97Å; L439-V466 HydrophobicContact CG-CG2 4.12Å
440	L	94.9	Very high	95.5	Very high	38 Å²	38	50.6 Å²	50.6	20%	0.199	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.4	170.6	-166.8	72	0	0	0	108.5	T366 E367 L396 V461 M462 L463	T366-L440 WeakPolarHBondContact CA-O 3.42Å; E367-L440 HydrophobicContact CB-CB 3.94Å; E367-L440 PolarHBondContact N-O 3.37Å; E367-L440 PolarHBondContact O-N 2.95Å; L396-L440 HydrophobicContact CD1-CD1 4.08Å; L396-L440 HydrophobicContact CD2-CD1 3.48Å; L396-L440 VanDerWaalsContact CD2-CD1 3.48Å; L396-L440 HydrophobicContact CG-CD1 3.91Å; L440-V461 HydrophobicContact CD1-CG1 3.58Å; L440-V461 HydrophobicContact CD2-CG1 4.26Å; L440-V461 HydrophobicContact CG-CG1 3.65Å; L440-M462 WeakPolarHBondContact CA-O 3.42Å; L440-L463 HydrophobicContact CD1-CB 4.45Å; L440-L463 HydrophobicContact CD1-CD1 3.84Å
441	I	96.2	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.6	-171.4	-53.8	176	0	0	0	109.2	T366 V421 M424 L439 L445 A446 M462 F464	T366-I441 HydrophobicContact CG2-CG1 3.84Å; V421-I441 HydrophobicContact CG2-CD1 4.41Å; M424-I441 HydrophobicContact CB-CD1 4.28Å; L439-I441 HydrophobicContact CB-CD1 4.48Å; L439-I441 HydrophobicContact CB-CG1 4.27Å; I441-L445 HydrophobicContact CG2-CB 3.75Å; I441-L445 WeakPolarHBondContact CG2-O 3.17Å; I441-A446 HydrophobicContact CG2-CB 3.81Å; I441-M462 HydrophobicContact CB-CB 4.44Å; I441-M462 PolarHBondContact N-O 3.48Å; I441-M462 PolarHBondContact O-N 3.08Å; I441-F464 HydrophobicContact CD1-CD2 3.64Å; I441-F464 HydrophobicContact CD1-CE2 3.91Å; I441-F464 HydrophobicContact CG1-CD2 4.37Å
442	P	95.1	Very high	95.2	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.032	24%	0.24	C	C	.	.			trans	-67.4	154.8	175.3	29.7	-34.6	0	0	0	110.6	H360 D364 H444 L445 A446	H360-P442 HydrophobicContact CB-CB 4.25Å; D364-P442 HydrophobicContact CB-CB 4.3Å; D364-P442 HydrophobicContact CB-CG 4.19Å; P442-H444 VanDerWaalsContact C-N 3.28Å; P442-H444 VanDerWaalsContact CG-CE1 3.44Å; P442-H444 WeakPolarHBondContact CG-CE1 3.47Å; P442-H444 PolarHBondContact O-N 2.83Å; P442-H444 VanDerWaalsContact O-N 3.14Å; P442-L445 HydrophobicContact CG-CB 4.34Å; P442-L445 HydrophobicContact CG-CD1 3.98Å; P442-L445 HydrophobicContact CG-CG 4.19Å; P442-L445 CarbonylContact O-C 3.53Å; P442-L445 PolarHBondContact O-N 2.85Å; P442-A446 PolarHBondContact O-N 2.97Å
443	P	94.8	Very high	94.9	Very high	4 Å²	4	55 Å²	55	3%	0.026	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.9	-34.5	-170.9	20.9	-34.1	0	0	0	114	H360 L445 A446 Y447 G448 A460	H360-P443 WeakPolarHBondContact CE1-CG 3.32Å; H360-P443 WeakPolarHBondContact NE2-CG 3.43Å; P443-L445 PolarHBondContact O-N 2.97Å; P443-A446 CarbonylContact O-C 3.52Å; P443-A446 WeakPolarHBondContact O-CA 3.32Å; P443-A446 PolarHBondContact O-N 2.96Å; P443-Y447 PolarHBondContact O-N 3.16Å; P443-G448 WeakPolarHBondContact O-CA 3.34Å; P443-G448 PolarHBondContact O-N 2.98Å; P443-A460 WeakPolarHBondContact CB-O 3.42Å
444	H	94.4	Very high	94.3	Very high	86 Å²	86	59.6 Å²	59.6	40%	0.398	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14.6	178.7	66.7	-89	0	0	0	113.7	P362 D364 P442	P362-H444 PolarHBondContact O-CE1 2.88Å; D364-H444 PolarHBondContact O-CE1 3.41Å; D364-H444 PolarHBondContact O-NE2 2.77Å; P442-H444 VanDerWaalsContact C-N 3.28Å; P442-H444 VanDerWaalsContact CG-CE1 3.44Å; P442-H444 WeakPolarHBondContact CG-CE1 3.47Å; P442-H444 PolarHBondContact O-N 2.83Å; P442-H444 VanDerWaalsContact O-N 3.14Å
445	L	96.4	Very high	93.9	Very high	29 Å²	29	64.7 Å²	64.7	15%	0.152	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-105.7	5.3	169.8	-60	178.9	0	0	0	112.6	T366 P422 G423 I441 P442 P443	T366-L445 WeakPolarHBondContact OG1-CD1 3.49Å; P422-L445 HydrophobicContact CB-CD2 4.17Å; P422-L445 WeakPolarHBondContact CD-O 3.44Å; G423-L445 PolarHBondContact N-O 2.76Å; I441-L445 HydrophobicContact CG2-CB 3.75Å; I441-L445 WeakPolarHBondContact CG2-O 3.17Å; P442-L445 HydrophobicContact CG-CB 4.34Å; P442-L445 HydrophobicContact CG-CD1 3.98Å; P442-L445 HydrophobicContact CG-CG 4.19Å; P442-L445 CarbonylContact O-C 3.53Å; P442-L445 PolarHBondContact O-N 2.85Å; P443-L445 PolarHBondContact O-N 2.97Å
446	A	95.5	Very high	93.6	Very high	18 Å²	18	64.8 Å²	64.8	15%	0.149	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-117.6	178.5	0	0	0	0	0	111.3	I441 P442 P443 M462	I441-A446 HydrophobicContact CG2-CB 3.81Å; P442-A446 PolarHBondContact O-N 2.97Å; P443-A446 CarbonylContact O-C 3.52Å; P443-A446 WeakPolarHBondContact O-CA 3.32Å; P443-A446 PolarHBondContact O-N 2.96Å; A446-M462 HydrophobicContact CB-CG 3.99Å
447	Y	94.6	Very high	93.3	Very high	96 Å²	96	64.3 Å²	64.3	38%	0.376	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6	-174.1	-60.8	-76.7	0	0	0	114.4	V421 P443 G451 V452 V456 M462	V421-Y447 HydrophobicContact CG1-CE1 4.25Å; P443-Y447 PolarHBondContact O-N 3.16Å; Y447-G451 PolarHBondContact O-N 3.36Å; Y447-G451 VanDerWaalsContact O-N 3.15Å; Y447-V452 HydrophobicContact CD1-CG2 3.35Å; Y447-V452 HydrophobicContact CE1-CG2 3.75Å; Y447-V452 HydrophobicContact CG-CG2 3.79Å; Y447-V456 HydrophobicContact CD2-CB 4.2Å; Y447-V456 HydrophobicContact CD2-CG1 3.87Å; Y447-V456 HydrophobicContact CD2-CG2 3.92Å; Y447-V456 HydrophobicContact CE2-CG2 3.97Å; Y447-V456 HydrophobicContact CG-CG1 4.37Å; Y447-M462 HydrophobicContact CD2-CG 4.37Å; Y447-M462 HydrophobicContact CD2-SD 4.45Å; Y447-M462 HydrophobicContact CE2-CE 4.27Å
448	G	92.8	Very high	93	Very high	23 Å²	23	64.6 Å²	64.6	24%	0.237	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-165.9	174.7	0	0	0	0	0	115	P443 R450 G451 S459	P443-G448 WeakPolarHBondContact O-CA 3.34Å; P443-G448 PolarHBondContact O-N 2.98Å; G448-R450 PolarHBondContact O-N 2.62Å; G448-G451 PolarHBondContact O-N 3.35Å; G448-S459 PolarHBondContact O-N 2.79Å
449	E	90.9	Very high	92.8	Very high	147 Å²	147	59.9 Å²	59.9	69%	0.687	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.2	179.3	-62.4	-176.2	165.9	0	0	113.2	G458 S459	E449-G458 WeakPolarHBondContact O-CA 3.41Å; E449-S459 WeakPolarHBondContact CA-OG 3.43Å
450	R	91.4	Very high	92.6	Very high	238 Å²	238	60 Å²	60	90%	0.898	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-30.9	-179.9	-64.6	-175	-166.4	142.6	4.6	112.6	G448	G448-R450 PolarHBondContact O-N 2.62Å
451	G	92.6	Very high	92.5	Very high	16 Å²	16	58.4 Å²	58.4	17%	0.165	30%	0.304	C	S	.	.			trans	61.4	-154.7	-170.7	0	0	0	0	0	112.3	Y447 G448 V456	Y447-G451 PolarHBondContact O-N 3.36Å; Y447-G451 VanDerWaalsContact O-N 3.15Å; G448-G451 PolarHBondContact O-N 3.35Å; G451-V456 CarbonylContact C-O 3.53Å; G451-V456 VanDerWaalsContact CA-O 3.31Å; G451-V456 WeakPolarHBondContact CA-O 3.38Å
452	V	92.5	Very high	92.4	Very high	45 Å²	45	58.4 Å²	58.4	27%	0.273	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-128.1	121.3	175.6	-178.3	0	0	0	0	108.1	Y447 D454 Q455 V456	Y447-V452 HydrophobicContact CD1-CG2 3.35Å; Y447-V452 HydrophobicContact CE1-CG2 3.75Å; Y447-V452 HydrophobicContact CG-CG2 3.79Å; V452-D454 PolarHBondContact O-N 2.97Å; V452-Q455 HydrophobicContact CB-CB 4.2Å; V452-Q455 HydrophobicContact CG1-CB 4.01Å; V452-Q455 HydrophobicContact CG1-CG 4.37Å; V452-Q455 PolarHBondContact O-N 2.91Å; V452-V456 HydrophobicContact CB-CB 4.06Å; V452-V456 HydrophobicContact CB-CG2 4.33Å; V452-V456 HydrophobicContact CG2-CB 4.27Å; V452-V456 HydrophobicContact CG2-CG2 4.4Å; V452-V456 PolarHBondContact N-O 3.45Å; V452-V456 PolarHBondContact O-N 2.96Å; V452-V456 VanDerWaalsContact O-O 3.05Å
453	T	89	Confident	92.4	Very high	118 Å²	118	58.8 Å²	58.8	72%	0.724	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	131.1	-179.6	-50.3	0	0	0	0	111.3	Q455	T453-Q455 PolarHBondContact O-N 3.12Å; T453-Q455 VanDerWaalsContact O-N 3.1Å
454	D	85.6	Confident	92.6	Very high	166 Å²	166	59.2 Å²	59.2	89%	0.888	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	10.6	179.6	-53.4	-39.8	0	0	0	116.1	V452	V452-D454 PolarHBondContact O-N 2.97Å
455	Q	87.9	Confident	92.7	Very high	127 Å²	127	60.1 Å²	60.1	59%	0.593	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-59.5	179.9	-63.7	-177.5	8.9	0	0	112.5	I401 V452 T453	I401-Q455 VanDerWaalsContact CD1-O 3.22Å; I401-Q455 WeakPolarHBondContact CD1-O 3.36Å; V452-Q455 HydrophobicContact CB-CB 4.2Å; V452-Q455 HydrophobicContact CG1-CB 4.01Å; V452-Q455 HydrophobicContact CG1-CG 4.37Å; V452-Q455 PolarHBondContact O-N 2.91Å; T453-Q455 PolarHBondContact O-N 3.12Å; T453-Q455 VanDerWaalsContact O-N 3.1Å
456	V	91.6	Very high	92.8	Very high	6 Å²	6	59 Å²	59	4%	0.036	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-120.1	114.7	-174.8	-178.9	0	0	0	0	108.8	I401 Y447 G451 V452 A460 M462	I401-V456 HydrophobicContact CG2-CG2 3.83Å; Y447-V456 HydrophobicContact CD2-CB 4.2Å; Y447-V456 HydrophobicContact CD2-CG1 3.87Å; Y447-V456 HydrophobicContact CD2-CG2 3.92Å; Y447-V456 HydrophobicContact CE2-CG2 3.97Å; Y447-V456 HydrophobicContact CG-CG1 4.37Å; G451-V456 CarbonylContact C-O 3.53Å; G451-V456 VanDerWaalsContact CA-O 3.31Å; G451-V456 WeakPolarHBondContact CA-O 3.38Å; V452-V456 HydrophobicContact CB-CB 4.06Å; V452-V456 HydrophobicContact CB-CG2 4.33Å; V452-V456 HydrophobicContact CG2-CB 4.27Å; V452-V456 HydrophobicContact CG2-CG2 4.4Å; V452-V456 PolarHBondContact N-O 3.45Å; V452-V456 PolarHBondContact O-N 2.96Å; V452-V456 VanDerWaalsContact O-O 3.05Å; V456-A460 HydrophobicContact CG1-CB 4.07Å; V456-M462 HydrophobicContact CG1-SD 3.59Å; V456-M462 VanDerWaalsContact CG1-SD 3.59Å; V456-M462 HydrophobicContact CG2-CE 4.14Å; V456-M462 HydrophobicContact CG2-SD 4.24Å
457	P	90.9	Very high	92.9	Very high	62 Å²	62	60.8 Å²	60.8	40%	0.403	31%	0.312	S	S	.	.			trans	-62.7	150.3	176	-18.7	30.7	0	0	0	111.4	L395 A460	L395-P457 HydrophobicContact CD1-CG 4.14Å; P457-A460 WeakPolarHBondContact O-CB 3.39Å; P457-A460 PolarHBondContact O-N 3.06Å
458	G	92.2	Very high	93.1	Very high	23 Å²	23	56.3 Å²	56.3	24%	0.237	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143.1	176	0	0	0	0	0	112.5	R276 E449 A460	R276-G458 PolarHBondContact NH1-O 2.95Å; E449-G458 WeakPolarHBondContact O-CA 3.41Å; G458-A460 PolarHBondContact O-N 3.32Å
459	S	91.8	Very high	93.3	Very high	10 Å²	10	58 Å²	58	7%	0.07	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	21.2	179.5	-58.4	0	0	0	0	114.8	G448 E449	G448-S459 PolarHBondContact O-N 2.79Å; E449-S459 WeakPolarHBondContact CA-OG 3.43Å
460	A	92.7	Very high	93.5	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.8	138.5	177.8	0	0	0	0	0	113	R276 L395 P443 V456 P457 G458 M462	R276-A460 VanDerWaalsContact NH2-CA 3.33Å; L395-A460 HydrophobicContact CD2-CB 4.04Å; P443-A460 WeakPolarHBondContact CB-O 3.42Å; V456-A460 HydrophobicContact CG1-CB 4.07Å; P457-A460 WeakPolarHBondContact O-CB 3.39Å; P457-A460 PolarHBondContact O-N 3.06Å; G458-A460 PolarHBondContact O-N 3.32Å; A460-M462 HydrophobicContact CB-SD 4.45Å
461	V	93.2	Very high	93.7	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.024	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-82.5	125.5	164.9	-174.7	0	0	0	0	108.2	D358 H360 L396 L440	D358-V461 HydrophobicContact CB-CG2 4.44Å; D358-V461 PolarHBondContact OD2-N 3.01Å; H360-V461 HydrophobicContact CB-CG2 3.77Å; L396-V461 HydrophobicContact CD1-CB 3.87Å; L396-V461 HydrophobicContact CD1-CG1 3.91Å; L396-V461 HydrophobicContact CG-CG1 4.49Å; L440-V461 HydrophobicContact CD1-CG1 3.58Å; L440-V461 HydrophobicContact CD2-CG1 4.26Å; L440-V461 HydrophobicContact CG-CG1 3.65Å
462	M	94.8	Very high	93.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.1	-176.3	-61.8	-63.3	-62.3	0	0	110.7	L395 I401 L440 I441 A446 Y447 V456 A460 F464	L395-M462 HydrophobicContact CD2-SD 3.85Å; I401-M462 HydrophobicContact CB-CE 4.3Å; I401-M462 HydrophobicContact CG1-CE 3.96Å; I401-M462 HydrophobicContact CG2-CE 4.18Å; L440-M462 WeakPolarHBondContact CA-O 3.42Å; I441-M462 HydrophobicContact CB-CB 4.44Å; I441-M462 PolarHBondContact N-O 3.48Å; I441-M462 PolarHBondContact O-N 3.08Å; A446-M462 HydrophobicContact CB-CG 3.99Å; Y447-M462 HydrophobicContact CD2-CG 4.37Å; Y447-M462 HydrophobicContact CD2-SD 4.45Å; Y447-M462 HydrophobicContact CE2-CE 4.27Å; V456-M462 HydrophobicContact CG1-SD 3.59Å; V456-M462 VanDerWaalsContact CG1-SD 3.59Å; V456-M462 HydrophobicContact CG2-CE 4.14Å; V456-M462 HydrophobicContact CG2-SD 4.24Å; A460-M462 HydrophobicContact CB-SD 4.45Å; M462-F464 HydrophobicContact CB-CD2 4.16Å; M462-F464 HydrophobicContact CB-CE2 3.64Å; M462-F464 HydrophobicContact CB-CZ 4.5Å; M462-F464 HydrophobicContact CE-CE2 4.29Å; M462-F464 HydrophobicContact CE-CZ 4.07Å; M462-F464 HydrophobicContact CG-CE2 4.38Å
463	L	95.4	Very high	93.6	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118	174.5	-175.4	72.5	0	0	0	110.6	G393 T394 R438 L439 L440	G393-L463 WeakPolarHBondContact CA-O 3.43Å; T394-L463 PolarHBondContact N-O 3.45Å; T394-L463 PolarHBondContact O-N 3.35Å; T394-L463 PolarHBondContact OG1-O 2.64Å; R438-L463 HydrophobicContact CG-CD1 3.63Å; R438-L463 HydrophobicContact CG-CG 4.44Å; R438-L463 VanDerWaalsContact NH2-CD2 3.31Å; L439-L463 WeakPolarHBondContact O-CA 3.22Å; L440-L463 HydrophobicContact CD1-CB 4.45Å; L440-L463 HydrophobicContact CD1-CD1 3.84Å
464	F	97.8	Very high	93.5	Very high	12 Å²	12	43.9 Å²	43.9	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.1	176	-68.5	-87	0	0	0	111.5	Y391 N392 M424 R438 L439 I441 M462 V466	Y391-F464 AromaticContact CD2-CD1 3.87Å; Y391-F464 HydrophobicContact CD2-CD1 3.87Å; Y391-F464 HydrophobicContact CD2-CE1 4.01Å; Y391-F464 HydrophobicContact CE2-CE1 4.19Å; Y391-F464 HydrophobicContact CG-CD1 4.4Å; N392-F464 WeakPolarHBondContact O-CA 3.44Å; M424-F464 HydrophobicContact CE-CB 3.82Å; M424-F464 HydrophobicContact CE-CD1 3.44Å; M424-F464 VanDerWaalsContact CE-CD1 3.44Å; M424-F464 HydrophobicContact CE-CD2 3.68Å; M424-F464 HydrophobicContact CE-CE1 3.81Å; M424-F464 HydrophobicContact CE-CE2 4.02Å; M424-F464 HydrophobicContact CE-CG 3.36Å; M424-F464 HydrophobicContact CE-CZ 4.08Å; R438-F464 CarbonylContact C-O 3.58Å; R438-F464 WeakPolarHBondContact CA-O 3.38Å; L439-F464 HydrophobicContact CB-CB 4.26Å; L439-F464 PolarHBondContact N-O 3.1Å; L439-F464 PolarHBondContact O-N 2.71Å; I441-F464 HydrophobicContact CD1-CD2 3.64Å; I441-F464 HydrophobicContact CD1-CE2 3.91Å; I441-F464 HydrophobicContact CG1-CD2 4.37Å; M462-F464 HydrophobicContact CB-CD2 4.16Å; M462-F464 HydrophobicContact CB-CE2 3.64Å; M462-F464 HydrophobicContact CB-CZ 4.5Å; M462-F464 HydrophobicContact CE-CE2 4.29Å; M462-F464 HydrophobicContact CE-CZ 4.07Å; M462-F464 HydrophobicContact CG-CE2 4.38Å; F464-V466 HydrophobicContact CB-CG1 4.12Å
465	E	97.9	Very high	93.4	Very high	106 Å²	106	37 Å²	37	50%	0.495	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.1	162.1	-63.7	-176.7	157.8	0	0	107.9	Y391 N392 R437	Y391-E465 CarbonylContact C-O 3.56Å; Y391-E465 WeakPolarHBondContact CA-O 3.46Å; N392-E465 HydrophobicContact CB-CB 4.49Å; N392-E465 PolarHBondContact N-O 2.76Å; N392-E465 PolarHBondContact O-N 2.84Å; R437-E465 CarbonylContact O-C 3.58Å; R437-E465 WeakPolarHBondContact O-CA 3.38Å
466	V	98.2	Very high	93.1	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.9	-175.2	-59.6	0	0	0	0	111.1	Y389 H390 M424 L428 M431 K436 R437 L439 F464	Y389-V466 HydrophobicContact CD2-CG1 4.45Å; H390-V466 CarbonylContact O-C 3.49Å; H390-V466 VanDerWaalsContact O-CA 3.26Å; H390-V466 WeakPolarHBondContact O-CA 3.28Å; M424-V466 HydrophobicContact CE-CG1 4.26Å; M424-V466 HydrophobicContact SD-CG1 3.96Å; L428-V466 HydrophobicContact CD2-CB 4.36Å; L428-V466 HydrophobicContact CD2-CG2 4.23Å; M431-V466 HydrophobicContact CE-CG2 3.94Å; M431-V466 HydrophobicContact SD-CG2 4.32Å; K436-V466 CarbonylContact C-O 3.58Å; K436-V466 WeakPolarHBondContact CA-O 3.39Å; R437-V466 HydrophobicContact CB-CG2 3.69Å; R437-V466 PolarHBondContact N-O 3.05Å; R437-V466 PolarHBondContact O-N 2.84Å; L439-V466 HydrophobicContact CD1-CG1 3.93Å; L439-V466 HydrophobicContact CD1-CG2 3.97Å; L439-V466 HydrophobicContact CG-CG2 4.12Å; F464-V466 HydrophobicContact CB-CG1 4.12Å
467	E	97.9	Very high	92.3	Very high	57 Å²	57	41.9 Å²	41.9	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.6	174.1	172.8	170.5	-157.4	0	0	109.1	Y389 H390 E435 K436	Y389-E467 CarbonylContact C-O 3.54Å; Y389-E467 VanDerWaalsContact CA-O 3.26Å; Y389-E467 WeakPolarHBondContact CA-O 3.24Å; Y389-E467 VanDerWaalsContact CB-O 3.31Å; Y389-E467 WeakPolarHBondContact CB-O 3.4Å; H390-E467 HydrophobicContact CB-CB 4.4Å; H390-E467 PolarHBondContact N-O 2.63Å; H390-E467 PolarHBondContact O-N 3.41Å; E435-E467 WeakPolarHBondContact O-CA 3.31Å; K436-E467 HydrophobicContact CD-CB 4.49Å; K436-E467 WeakPolarHBondContact CE-OE1 3.03Å; K436-E467 HydrophobicContact CG-CB 4.07Å; K436-E467 HydrophobicContact CG-CG 4.12Å; K436-E467 IonicContact NZ-OE1 2.69Å; K436-E467 PolarHBondContact NZ-OE1 2.67Å; K436-E467 IonicContact NZ-OE2 3.69Å; K436-E467 PolarHBondContact NZ-OE2 2.76Å
468	L	97.9	Very high	91.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.1	178.9	-175.7	62.3	0	0	0	109.8	T381 I387 M431 C432 G434 E435 I471	T381-L468 HydrophobicContact CG2-CD1 4.36Å; T381-L468 HydrophobicContact CG2-CD2 3.47Å; T381-L468 VanDerWaalsContact CG2-CD2 3.47Å; I387-L468 HydrophobicContact CB-CD1 4Å; I387-L468 HydrophobicContact CD1-CD1 4.44Å; I387-L468 HydrophobicContact CG2-CD1 4.44Å; M431-L468 HydrophobicContact CB-CD2 3.98Å; M431-L468 HydrophobicContact CE-CB 3.77Å; M431-L468 HydrophobicContact CG-CB 4.2Å; M431-L468 HydrophobicContact CG-CD2 4.08Å; M431-L468 WeakPolarHBondContact O-CD2 2.96Å; M431-L468 HydrophobicContact SD-CB 4.17Å; C432-L468 WeakPolarHBondContact O-CD2 3.17Å; G434-L468 WeakPolarHBondContact CA-O 3.3Å; G434-L468 PolarHBondContact N-O 2.92Å; E435-L468 PolarHBondContact O-N 3.38Å; L468-I471 HydrophobicContact CD2-CD1 3.75Å; L468-I471 HydrophobicContact CD2-CG1 3.74Å; L468-I471 HydrophobicContact CG-CG1 4.33Å
469	V	97.1	Very high	90.9	Very high	59 Å²	59	48.7 Å²	48.7	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-40.3	-174.8	179.6	0	0	0	0	111.7	K388 T410 V433	K388-V469 WeakPolarHBondContact O-CA 3.36Å; K388-V469 WeakPolarHBondContact O-CB 3.39Å; K388-V469 PolarHBondContact O-N 3.11Å; T410-V469 HydrophobicContact CG2-CB 4.25Å; T410-V469 HydrophobicContact CG2-CG1 4.33Å; T410-V469 HydrophobicContact CG2-CG2 3.99Å; V433-V469 VanDerWaalsContact CG1-O 3.26Å; V433-V469 WeakPolarHBondContact CG1-O 3.12Å
470	E	96.1	Very high	90.4	Very high	80 Å²	80	51.1 Å²	51.1	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146.2	-173.5	-163.4	-180	156.5	0	0	111.3	I387 K388	I387-E470 WeakPolarHBondContact CA-O 3.43Å; K388-E470 HydrophobicContact CB-CB 4.07Å; K388-E470 HydrophobicContact CD-CB 4.38Å; K388-E470 WeakPolarHBondContact CD-OE2 3.4Å; K388-E470 WeakPolarHBondContact CE-OE2 3.22Å; K388-E470 HydrophobicContact CG-CB 4.27Å; K388-E470 PolarHBondContact N-O 3.21Å; K388-E470 VanDerWaalsContact NZ-CD 3.35Å; K388-E470 IonicContact NZ-OE1 3.37Å; K388-E470 PolarHBondContact NZ-OE1 3.25Å; K388-E470 IonicContact NZ-OE2 3.25Å; K388-E470 PolarHBondContact NZ-OE2 2.83Å; K388-E470 PolarHBondContact O-N 2.95Å; K388-E470 VanDerWaalsContact O-N 3.09Å
471	I	95.3	Very high	90.1	Very high	18 Å²	18	52 Å²	52	9%	0.092	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.5	173	-51.8	170.3	0	0	0	109.4	K379 T381 D385 I387 V433 L468	K379-I471 HydrophobicContact CD-CB 4.46Å; K379-I471 HydrophobicContact CD-CG2 4.27Å; K379-I471 HydrophobicContact CG-CD1 4.47Å; K379-I471 PolarHBondContact NZ-O 3.39Å; T381-I471 HydrophobicContact CG2-CD1 3.66Å; T381-I471 HydrophobicContact CG2-CG1 3.79Å; T381-I471 HydrophobicContact CG2-CG2 4.49Å; D385-I471 HydrophobicContact CB-CG2 4.1Å; I387-I471 HydrophobicContact CG2-CG1 4.45Å; I387-I471 HydrophobicContact CG2-CG2 4.36Å; V433-I471 HydrophobicContact CG2-CB 4.31Å; V433-I471 HydrophobicContact CG2-CD1 3.83Å; V433-I471 HydrophobicContact CG2-CG1 3.66Å; L468-I471 HydrophobicContact CD2-CD1 3.75Å; L468-I471 HydrophobicContact CD2-CG1 3.74Å; L468-I471 HydrophobicContact CG-CG1 4.33Å
472	E	93	Very high	89.9	Confident	91 Å²	91	53.4 Å²	53.4	43%	0.425	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.3	167.5	-173.5	174.4	178.7	0	0	109	F386 G474 P525	F386-E472 HydrophobicContact CB-CB 4.24Å; F386-E472 HydrophobicContact CD1-CB 4.25Å; F386-E472 PolarHBondContact N-O 2.96Å; F386-E472 PolarHBondContact O-N 3.48Å; E472-G474 PolarHBondContact O-N 2.87Å; E472-P525 HydrophobicContact CG-CB 4.06Å; E472-P525 HydrophobicContact CG-CG 4.33Å
473	D	89.9	Confident	89.5	Confident	66 Å²	66	56.2 Å²	56.2	35%	0.353	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-61.6	130.5	-177.2	-78.3	-59.2	0	0	0	111.1	K379 K382	K379-D473 VanDerWaalsContact CE-CG 3.46Å; K379-D473 WeakPolarHBondContact CE-OD1 3.5Å; K379-D473 WeakPolarHBondContact CE-OD2 3.22Å; K379-D473 IonicContact NZ-OD1 2.74Å; K379-D473 PolarHBondContact NZ-OD1 3.33Å; K379-D473 IonicContact NZ-OD2 2.87Å; K379-D473 PolarHBondContact NZ-OD2 2.9Å; K382-D473 IonicContact NZ-OD1 2.9Å
474	G	86.1	Confident	89	Confident	13 Å²	13	58.5 Å²	58.5	13%	0.134	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.1	169.5	169.8	0	0	0	0	0	113.1	G384 D385 E472	G384-G474 WeakPolarHBondContact O-CA 3.5Å; D385-G474 PolarHBondContact OD1-N 3.49Å; E472-G474 PolarHBondContact O-N 2.87Å
475	L	84.6	Confident	88.1	Confident	22 Å²	22	63.1 Å²	63.1	12%	0.115	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-85.1	158.2	165.6	-56.3	-168.8	0	0	0	110.6	M480 I482 R522 A524	L475-M480 WeakPolarHBondContact CD1-O 3.39Å; L475-I482 HydrophobicContact CD1-CG2 4.39Å; L475-I482 HydrophobicContact CD2-CD1 3.84Å; L475-I482 HydrophobicContact CD2-CG1 3.79Å; L475-I482 HydrophobicContact CD2-CG2 4.24Å; L475-R522 HydrophobicContact CD2-CG 3.71Å; L475-A524 HydrophobicContact CD1-CB 3.96Å; L475-A524 HydrophobicContact CG-CB 4.32Å
476	P	81	Confident	87.2	Confident	72 Å²	72	67 Å²	67	47%	0.468	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-54.2	150.8	168	-22.2	33.2	0	0	0	111.8	G478 Y479	P476-G478 PolarHBondContact O-N 2.84Å; P476-Y479 HydrophobicContact CB-CD2 3.77Å; P476-Y479 HydrophobicContact CB-CE2 4.18Å; P476-Y479 HydrophobicContact CG-CD2 4.47Å; P476-Y479 WeakPolarHBondContact O-CB 2.98Å; P476-Y479 PolarHBondContact O-N 3.32Å; P476-Y479 VanDerWaalsContact O-N 3.09Å
477	E	74.9	Confident	86.3	Confident	162 Å²	162	70.6 Å²	70.6	76%	0.757	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	129.3	-177.1	-169.1	164.5	-140.3	0	0	111.2	K383	K383-E477 IonicContact NZ-OE1 3.6Å; K383-E477 PolarHBondContact NZ-OE1 3.07Å
478	G	72.4	Confident	85.2	Confident	82 Å²	82	69.1 Å²	69.1	85%	0.845	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-5.1	-178.2	0	0	0	0	0	115.8	P476	P476-G478 PolarHBondContact O-N 2.84Å
479	Y	80.3	Confident	84.2	Confident	147 Å²	147	75 Å²	75	58%	0.576	41%	0.406	S	S	*	.			trans	-97.6	135	179	-69.6	-99.7	0	0	0	112.1	P476 I482	P476-Y479 HydrophobicContact CB-CD2 3.77Å; P476-Y479 HydrophobicContact CB-CE2 4.18Å; P476-Y479 HydrophobicContact CG-CD2 4.47Å; P476-Y479 WeakPolarHBondContact O-CB 2.98Å; P476-Y479 PolarHBondContact O-N 3.32Å; P476-Y479 VanDerWaalsContact O-N 3.09Å; Y479-I482 HydrophobicContact CD1-CG2 4.03Å; Y479-I482 HydrophobicContact CG-CG2 4.15Å
480	M	82.1	Confident	83.5	Confident	60 Å²	60	74.6 Å²	74.6	30%	0.296	41%	0.414	S	S	.	.	S	Bend	trans	-97.6	-21.2	171.6	-73.6	-170	-70.9	0	0	112.9	L475 A524 I532 N535 M536 N539	L475-M480 WeakPolarHBondContact CD1-O 3.39Å; M480-A524 PolarHBondContact O-N 2.83Å; M480-I532 HydrophobicContact CB-CG2 3.77Å; M480-I532 HydrophobicContact CG-CG2 4.32Å; M480-I532 HydrophobicContact SD-CG2 4.39Å; M480-N535 HydrophobicContact CE-CB 4.3Å; M480-N535 HydrophobicContact SD-CB 3.9Å; M480-M536 HydrophobicContact CB-CG 3.86Å; M480-M536 HydrophobicContact CB-SD 4.13Å; M480-M536 HydrophobicContact CE-CB 4.39Å; M480-M536 HydrophobicContact CE-CG 3.67Å; M480-M536 HydrophobicContact SD-CG 4.22Å; M480-N539 VanDerWaalsContact CE-ND2 3.26Å; M480-N539 WeakPolarHBondContact CE-ND2 3.32Å
481	F	87.1	Confident	83	Confident	21 Å²	21	72.2 Å²	72.2	9%	0.092	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	142.5	177.8	175.4	-92.4	0	0	0	109	W483 I512 Q515 V516 R522 L523 M536	F481-W483 AromaticContact CE1-CD1 3.87Å; F481-W483 AromaticContact CE1-CD2 3.69Å; F481-W483 HydrophobicContact CE1-CD2 3.69Å; F481-W483 AromaticContact CE1-CE2 3.53Å; F481-W483 HydrophobicContact CE1-CE3 4.27Å; F481-W483 AromaticContact CE1-CG 3.93Å; F481-W483 HydrophobicContact CE1-CG 3.93Å; F481-W483 AromaticContact CE1-CZ2 3.98Å; F481-W483 HydrophobicContact CE1-CZ2 3.98Å; F481-W483 AromaticContact CE1-NE1 3.65Å; F481-W483 HydrophobicContact CZ-CD2 4.15Å; F481-W483 HydrophobicContact CZ-CE3 4.27Å; F481-W483 HydrophobicContact CZ-CZ2 4.4Å; F481-W483 HydrophobicContact CZ-CZ3 4.48Å; F481-I512 HydrophobicContact CD2-CG2 4.1Å; F481-I512 HydrophobicContact CE2-CG2 4.14Å; F481-Q515 HydrophobicContact CZ-CB 4.3Å; F481-V516 HydrophobicContact CD2-CG2 4.39Å; F481-V516 HydrophobicContact CE2-CG2 3.92Å; F481-R522 WeakPolarHBondContact CA-O 3.29Å; F481-R522 WeakPolarHBondContact CD2-O 3.39Å; F481-L523 HydrophobicContact CB-CD2 4.08Å; F481-L523 HydrophobicContact CD2-CD2 3.81Å; F481-L523 HydrophobicContact CD2-CG 4.14Å; F481-L523 HydrophobicContact CG-CD2 4.42Å; F481-M536 HydrophobicContact CB-CE 3.53Å; F481-M536 HydrophobicContact CB-SD 3.79Å; F481-M536 HydrophobicContact CG-CE 4.03Å
482	I	87.3	Confident	82.6	Confident	34 Å²	34	72.2 Å²	72.2	17%	0.174	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.3	166.1	72	179	0	0	0	110.5	L475 Y479 G521 R522	L475-I482 HydrophobicContact CD1-CG2 4.39Å; L475-I482 HydrophobicContact CD2-CD1 3.84Å; L475-I482 HydrophobicContact CD2-CG1 3.79Å; L475-I482 HydrophobicContact CD2-CG2 4.24Å; Y479-I482 HydrophobicContact CD1-CG2 4.03Å; Y479-I482 HydrophobicContact CG-CG2 4.15Å; I482-G521 CarbonylContact O-C 3.53Å; I482-G521 WeakPolarHBondContact O-CA 3.23Å; I482-R522 HydrophobicContact CD1-CG 3.97Å; I482-R522 HydrophobicContact CG1-CG 3.4Å; I482-R522 PolarHBondContact N-O 2.82Å; I482-R522 PolarHBondContact O-N 2.49Å
483	W	86.6	Confident	82.3	Confident	61 Å²	61	71.4 Å²	71.4	23%	0.231	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.7	168.8	-63.1	93.9	0	0	0	110.1	F481 D485 V487 P488 L491 Y511 Q515	F481-W483 AromaticContact CE1-CD1 3.87Å; F481-W483 AromaticContact CE1-CD2 3.69Å; F481-W483 HydrophobicContact CE1-CD2 3.69Å; F481-W483 AromaticContact CE1-CE2 3.53Å; F481-W483 HydrophobicContact CE1-CE3 4.27Å; F481-W483 AromaticContact CE1-CG 3.93Å; F481-W483 HydrophobicContact CE1-CG 3.93Å; F481-W483 AromaticContact CE1-CZ2 3.98Å; F481-W483 HydrophobicContact CE1-CZ2 3.98Å; F481-W483 AromaticContact CE1-NE1 3.65Å; F481-W483 HydrophobicContact CZ-CD2 4.15Å; F481-W483 HydrophobicContact CZ-CE3 4.27Å; F481-W483 HydrophobicContact CZ-CZ2 4.4Å; F481-W483 HydrophobicContact CZ-CZ3 4.48Å; W483-D485 WeakPolarHBondContact CB-O 3.36Å; W483-V487 HydrophobicContact CB-CG2 4.39Å; W483-V487 HydrophobicContact CD2-CG2 4.47Å; W483-V487 HydrophobicContact CG-CG2 3.91Å; W483-P488 HydrophobicContact CH2-CG 4.21Å; W483-P488 HydrophobicContact CZ3-CG 4.13Å; W483-L491 HydrophobicContact CH2-CD2 3.72Å; W483-L491 HydrophobicContact CZ2-CD1 4.48Å; W483-L491 HydrophobicContact CZ2-CD2 3.45Å; W483-L491 VanDerWaalsContact CZ2-CD2 3.45Å; W483-Y511 AromaticContact CH2-CE1 3.96Å; W483-Y511 HydrophobicContact CH2-CE1 3.96Å; W483-Q515 HydrophobicContact CH2-CB 4.39Å; W483-Q515 HydrophobicContact CH2-CG 3.68Å; W483-Q515 HydrophobicContact CZ3-CB 4.08Å; W483-Q515 HydrophobicContact CZ3-CG 3.71Å
484	N	84.8	Confident	82.2	Confident	61 Å²	61	72.8 Å²	72.8	33%	0.326	42%	0.416	S	S	.	.	S	Bend	trans	-85.7	-29.1	172.1	-64.9	-30.2	0	0	0	111.3	G519 K520 R522	N484-G519 PolarHBondContact ND2-O 2.76Å; N484-K520 PolarHBondContact N-O 3.38Å; N484-R522 PolarHBondContact OD1-NE 3.15Å; N484-R522 VanDerWaalsContact OD1-NE 3.09Å; N484-R522 PolarHBondContact OD1-NH2 2.92Å; N484-R522 VanDerWaalsContact OD1-NH2 3.09Å
485	D	80.8	Confident	82.3	Confident	109 Å²	109	72.4 Å²	72.4	58%	0.583	41%	0.411	S	S	*	.	S	Bend	trans	-114.6	-176.8	179.1	-63.8	-43	0	0	0	111.2	W483	W483-D485 WeakPolarHBondContact CB-O 3.36Å
486	E	77.6	Confident	82.6	Confident	186 Å²	186	72 Å²	72	87%	0.869	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-59.6	137.6	172	-70.8	-174	173	0	0	111.4
487	V	78.8	Confident	82.9	Confident	80 Å²	80	76.7 Å²	76.7	49%	0.485	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-63.3	125.8	178.2	-174.8	0	0	0	0	109.5	W483 L491	W483-V487 HydrophobicContact CB-CG2 4.39Å; W483-V487 HydrophobicContact CD2-CG2 4.47Å; W483-V487 HydrophobicContact CG-CG2 3.91Å; V487-L491 HydrophobicContact CG1-CD1 3.45Å; V487-L491 VanDerWaalsContact CG1-CD1 3.45Å; V487-L491 HydrophobicContact CG1-CD2 4.41Å; V487-L491 HydrophobicContact CG1-CG 4.04Å
488	P	75.9	Confident	83.6	Confident	27 Å²	27	73.9 Å²	73.9	18%	0.175	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-56	135	178.9	-26.2	33.9	0	0	0	112.4	W483 G490	W483-P488 HydrophobicContact CH2-CG 4.21Å; W483-P488 HydrophobicContact CZ3-CG 4.13Å; P488-G490 PolarHBondContact O-N 3.36Å
489	P	75.7	Confident	84.4	Confident	124 Å²	124	78.3 Å²	78.3	81%	0.805	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	125.3	174.6	28	-32.4	0	0	0	109.8
490	G	82.6	Confident	84.9	Confident	51 Å²	51	74.7 Å²	74.7	53%	0.526	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	38.5	177.1	0	0	0	0	0	114.8	P488 F492 A493 E494	P488-G490 PolarHBondContact O-N 3.36Å; G490-F492 PolarHBondContact O-N 2.86Å; G490-F492 VanDerWaalsContact O-N 3.07Å; G490-A493 PolarHBondContact O-N 3.16Å; G490-E494 PolarHBondContact O-N 2.89Å
491	L	86.1	Confident	85.2	Confident	30 Å²	30	73.5 Å²	73.5	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-37.9	-46.9	175.6	-81	165.5	0	0	0	114.6	W483 V487 A493 E494 M495 Y511 F553	W483-L491 HydrophobicContact CH2-CD2 3.72Å; W483-L491 HydrophobicContact CZ2-CD1 4.48Å; W483-L491 HydrophobicContact CZ2-CD2 3.45Å; W483-L491 VanDerWaalsContact CZ2-CD2 3.45Å; V487-L491 HydrophobicContact CG1-CD1 3.45Å; V487-L491 VanDerWaalsContact CG1-CD1 3.45Å; V487-L491 HydrophobicContact CG1-CD2 4.41Å; V487-L491 HydrophobicContact CG1-CG 4.04Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 3.07Å; L491-E494 PolarHBondContact O-N 3.09Å; L491-E494 VanDerWaalsContact O-N 3.11Å; L491-M495 WeakPolarHBondContact O-CG 3.25Å; L491-M495 PolarHBondContact O-N 2.81Å; L491-Y511 HydrophobicContact CD2-CE1 3.92Å; L491-Y511 WeakPolarHBondContact CD2-OH 3.39Å; L491-F553 HydrophobicContact CB-CD1 4.36Å; L491-F553 HydrophobicContact CB-CE1 3.36Å; L491-F553 HydrophobicContact CB-CZ 3.71Å; L491-F553 HydrophobicContact CD1-CE1 3.75Å; L491-F553 HydrophobicContact CD1-CZ 4.18Å; L491-F553 HydrophobicContact CG-CE1 4.19Å; L491-F553 HydrophobicContact CG-CZ 4.48Å
492	F	87.4	Confident	85.4	Confident	18 Å²	18	75.8 Å²	75.8	8%	0.079	41%	0.413	C	S	.	.	H	α-helix	trans	-56	-47.1	-179.7	-174.4	-92	0	0	0	112.5	G490 E494 M495 D496 G501 V503 I548 E550 F553	G490-F492 PolarHBondContact O-N 2.86Å; G490-F492 VanDerWaalsContact O-N 3.07Å; F492-E494 VanDerWaalsContact C-N 3.25Å; F492-E494 PolarHBondContact O-N 3.49Å; F492-M495 PolarHBondContact O-N 3.04Å; F492-M495 VanDerWaalsContact O-N 3.15Å; F492-D496 HydrophobicContact CE1-CB 4.14Å; F492-D496 WeakPolarHBondContact O-CB 3.42Å; F492-D496 PolarHBondContact O-N 2.89Å; F492-G501 WeakPolarHBondContact CZ-O 3.31Å; F492-V503 HydrophobicContact CD2-CG2 4.02Å; F492-V503 HydrophobicContact CE2-CG2 3.64Å; F492-V503 HydrophobicContact CZ-CG2 4.08Å; F492-I548 WeakPolarHBondContact CE2-O 3.33Å; F492-E550 HydrophobicContact CB-CG 4.47Å; F492-E550 HydrophobicContact CD1-CB 3.84Å; F492-E550 HydrophobicContact CD1-CG 4.1Å; F492-E550 HydrophobicContact CD2-CB 4.19Å; F492-E550 HydrophobicContact CE1-CB 3.9Å; F492-E550 HydrophobicContact CE2-CB 4.24Å; F492-E550 HydrophobicContact CG-CB 4Å; F492-E550 HydrophobicContact CG-CG 4.14Å; F492-E550 HydrophobicContact CZ-CB 4.11Å; F492-F553 HydrophobicContact CB-CD1 4.44Å; F492-F553 HydrophobicContact CB-CG 4.38Å; F492-F553 HydrophobicContact CD2-CB 4.04Å; F492-F553 HydrophobicContact CD2-CD2 4.22Å; F492-F553 HydrophobicContact CD2-CG 4.19Å
493	A	86.8	Confident	85.7	Confident	74 Å²	74	74.2 Å²	74.2	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-71.6	-19.7	-179.1	0	0	0	0	0	113.3	G490 L491	G490-A493 PolarHBondContact O-N 3.16Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 3.07Å
494	E	86.7	Confident	86	Confident	94 Å²	94	75.2 Å²	75.2	44%	0.439	41%	0.412	S	S	.	.	H	α-helix	trans	-81.9	-29.6	171.5	-61	-168.5	168	0	0	112.3	G490 L491 F492 Y511	G490-E494 PolarHBondContact O-N 2.89Å; L491-E494 PolarHBondContact O-N 3.09Å; L491-E494 VanDerWaalsContact O-N 3.11Å; F492-E494 VanDerWaalsContact C-N 3.25Å; F492-E494 PolarHBondContact O-N 3.49Å; E494-Y511 HydrophobicContact CB-CD2 4.45Å; E494-Y511 HydrophobicContact CB-CE2 3.62Å; E494-Y511 PolarHBondContact OE2-OH 2.69Å
495	M	89.3	Confident	86.4	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.025	41%	0.414	C	S	.	.	H	α-helix	trans	-81.2	-42	178.9	-68.2	179.3	81.1	0	0	112.4	L491 F492 K497 V503 F508 Y511 I512 F553	L491-M495 WeakPolarHBondContact O-CG 3.25Å; L491-M495 PolarHBondContact O-N 2.81Å; F492-M495 PolarHBondContact O-N 3.04Å; F492-M495 VanDerWaalsContact O-N 3.15Å; M495-K497 PolarHBondContact O-N 2.91Å; M495-V503 HydrophobicContact CB-CG1 4.22Å; M495-V503 HydrophobicContact CB-CG2 3.9Å; M495-F508 HydrophobicContact CE-CB 3.99Å; M495-F508 HydrophobicContact CE-CD1 4.41Å; M495-F508 HydrophobicContact CE-CD2 3.09Å; M495-F508 HydrophobicContact CE-CE2 3.55Å; M495-F508 HydrophobicContact CE-CG 3.58Å; M495-F508 HydrophobicContact CE-CZ 4.37Å; M495-F508 HydrophobicContact SD-CD2 4.46Å; M495-Y511 HydrophobicContact CB-CG 4.46Å; M495-Y511 HydrophobicContact CE-CD1 3.87Å; M495-Y511 HydrophobicContact CE-CG 4.28Å; M495-Y511 HydrophobicContact CG-CD1 3.41Å; M495-Y511 VanDerWaalsContact CG-CD1 3.41Å; M495-Y511 HydrophobicContact CG-CD2 3.8Å; M495-Y511 HydrophobicContact CG-CE1 3.8Å; M495-Y511 HydrophobicContact CG-CE2 4.17Å; M495-Y511 HydrophobicContact CG-CG 3.41Å; M495-Y511 VanDerWaalsContact CG-CG 3.41Å; M495-Y511 HydrophobicContact SD-CD1 3.73Å; M495-Y511 HydrophobicContact SD-CE1 4.04Å; M495-Y511 HydrophobicContact SD-CG 4.3Å; M495-I512 HydrophobicContact CE-CG1 4.44Å; M495-F553 HydrophobicContact SD-CE2 3.66Å; M495-F553 HydrophobicContact SD-CZ 3.7Å
496	D	90.6	Very high	86.9	Confident	14 Å²	14	72.7 Å²	72.7	8%	0.075	41%	0.407	C	S	.	.			trans	-71.8	86.3	174.3	175.8	10.2	0	0	0	110.1	F492 D498 K499 N500 G501 V503	F492-D496 HydrophobicContact CE1-CB 4.14Å; F492-D496 WeakPolarHBondContact O-CB 3.42Å; F492-D496 PolarHBondContact O-N 2.89Å; D496-D498 VanDerWaalsContact OD1-OD1 3.12Å; D496-K499 WeakPolarHBondContact OD1-CA 3.45Å; D496-K499 PolarHBondContact OD1-N 3.5Å; D496-K499 WeakPolarHBondContact OD2-CA 3.35Å; D496-N500 PolarHBondContact OD1-N 2.9Å; D496-N500 PolarHBondContact OD2-N 3.41Å; D496-G501 WeakPolarHBondContact OD2-CA 3.45Å; D496-G501 PolarHBondContact OD2-N 2.76Å; D496-V503 HydrophobicContact CB-CG2 4.07Å
497	K	86.4	Confident	87.6	Confident	171 Å²	171	65.1 Å²	65.1	74%	0.743	37%	0.372	S	S	*	.	S	Bend	trans	-80.2	-33.8	-168.5	-174.1	179	179.9	177.4	0	111.5	M495 K499 E507	M495-K497 PolarHBondContact O-N 2.91Å; K497-K499 VanDerWaalsContact C-N 3.32Å; K497-E507 PolarHBondContact N-OE1 3.17Å
498	D	89.7	Confident	88.3	Confident	102 Å²	102	61.8 Å²	61.8	55%	0.545	35%	0.351	S	S	.	.	S	Bend	trans	-85.7	-7.9	177.6	77.3	-1.2	0	0	0	113.2	D496 N500 E507	D496-D498 VanDerWaalsContact OD1-OD1 3.12Å; D498-N500 VanDerWaalsContact C-N 3.32Å; D498-N500 WeakPolarHBondContact OD1-CB 3.24Å; D498-N500 PolarHBondContact OD1-N 2.97Å; D498-N500 PolarHBondContact OD1-ND2 3.16Å; D498-N500 PolarHBondContact OD1-OD1 2.02Å; D498-N500 PolarHBondContact OD2-ND2 2.99Å; D498-E507 PolarHBondContact N-OE1 3.33Å
499	K	89.9	Confident	89.1	Confident	176 Å²	176	61.8 Å²	61.8	77%	0.765	35%	0.35	S	S	*	.			trans	64	35.8	176.5	-55.3	-177.7	178.5	-175.5	0	112.4	D496 K497	D496-K499 WeakPolarHBondContact OD1-CA 3.45Å; D496-K499 PolarHBondContact OD1-N 3.5Å; D496-K499 WeakPolarHBondContact OD2-CA 3.35Å; K497-K499 VanDerWaalsContact C-N 3.32Å
500	N	90.1	Very high	90	Very high	70 Å²	70	60.9 Å²	60.9	37%	0.374	34%	0.338	S	S	.	.	S	Bend	trans	-87.7	-7.7	-179.7	73.7	21.8	0	0	0	112.7	D496 D498 E502	D496-N500 PolarHBondContact OD1-N 2.9Å; D496-N500 PolarHBondContact OD2-N 3.41Å; D498-N500 VanDerWaalsContact C-N 3.32Å; D498-N500 WeakPolarHBondContact OD1-CB 3.24Å; D498-N500 PolarHBondContact OD1-N 2.97Å; D498-N500 PolarHBondContact OD1-ND2 3.16Å; D498-N500 PolarHBondContact OD1-OD1 2.02Å; D498-N500 PolarHBondContact OD2-ND2 2.99Å; N500-E502 WeakPolarHBondContact OD1-CA 3.41Å; N500-E502 WeakPolarHBondContact OD1-CB 3.29Å; N500-E502 PolarHBondContact OD1-N 3.08Å; N500-E502 PolarHBondContact OD1-O 3.13Å
501	G	89.6	Confident	90.5	Very high	36 Å²	36	59.1 Å²	59.1	37%	0.371	32%	0.316	S	S	.	.	S	Bend	trans	87.4	8.1	-179	0	0	0	0	0	114.9	F492 D496	F492-G501 WeakPolarHBondContact CZ-O 3.31Å; D496-G501 WeakPolarHBondContact OD2-CA 3.45Å; D496-G501 PolarHBondContact OD2-N 2.76Å
502	E	91.8	Very high	90.8	Very high	69 Å²	69	58.1 Å²	58.1	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.6	-177.7	-57.7	174.5	161.1	0	0	109.1	N500 K547	N500-E502 WeakPolarHBondContact OD1-CA 3.41Å; N500-E502 WeakPolarHBondContact OD1-CB 3.29Å; N500-E502 PolarHBondContact OD1-N 3.08Å; N500-E502 PolarHBondContact OD1-O 3.13Å; E502-K547 HydrophobicContact CB-CB 4.49Å; E502-K547 HydrophobicContact CB-CD 4.15Å; E502-K547 HydrophobicContact CG-CD 4.32Å; E502-K547 IonicContact OE1-NZ 3.65Å; E502-K547 WeakPolarHBondContact OE2-CD 3.21Å; E502-K547 WeakPolarHBondContact OE2-CE 3.49Å; E502-K547 IonicContact OE2-NZ 3.97Å; E502-K547 PolarHBondContact OE2-NZ 2.97Å
503	V	92.3	Very high	91	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.6	174	175.7	0	0	0	0	108.9	F492 M495 D496 E507 F508 I548	F492-V503 HydrophobicContact CD2-CG2 4.02Å; F492-V503 HydrophobicContact CE2-CG2 3.64Å; F492-V503 HydrophobicContact CZ-CG2 4.08Å; M495-V503 HydrophobicContact CB-CG1 4.22Å; M495-V503 HydrophobicContact CB-CG2 3.9Å; D496-V503 HydrophobicContact CB-CG2 4.07Å; V503-E507 HydrophobicContact CG1-CB 4.08Å; V503-F508 HydrophobicContact CG1-CB 3.88Å; V503-F508 HydrophobicContact CG1-CD2 4.37Å; V503-I548 HydrophobicContact CB-CB 4.27Å; V503-I548 PolarHBondContact N-O 3.45Å; V503-I548 PolarHBondContact O-N 3.47Å
504	E	93.6	Very high	91.3	Very high	82 Å²	82	60.4 Å²	60.4	38%	0.383	31%	0.31	S	S	.	.			trans	-79.5	160.6	174.1	-70.7	-164.9	166.2	0	0	112.1	S506 E507 F508	E504-S506 PolarHBondContact O-N 3.17Å; E504-S506 VanDerWaalsContact O-N 3.11Å; E504-E507 PolarHBondContact N-OE2 3.31Å; E504-E507 VanDerWaalsContact N-OE2 3.08Å; E504-E507 PolarHBondContact O-N 3.21Å; E504-E507 VanDerWaalsContact O-N 3.07Å; E504-F508 PolarHBondContact O-N 2.89Å
505	P	92.4	Very high	91.6	Very high	55 Å²	55	56.3 Å²	56.3	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-54.3	-33.5	178.3	-26.5	32.2	0	0	0	114.1	T509 F537	P505-T509 VanDerWaalsContact O-CB 3.25Å; P505-T509 WeakPolarHBondContact O-CB 3.15Å; P505-T509 PolarHBondContact O-N 2.95Å; P505-T509 PolarHBondContact O-OG1 3.38Å; P505-F537 HydrophobicContact CB-CD2 4.45Å; P505-F537 HydrophobicContact CB-CE1 4.49Å; P505-F537 HydrophobicContact CB-CE2 4.31Å; P505-F537 HydrophobicContact CB-CZ 4.34Å; P505-F537 HydrophobicContact CG-CD1 4.32Å; P505-F537 HydrophobicContact CG-CE1 3.78Å; P505-F537 HydrophobicContact CG-CE2 4.03Å; P505-F537 HydrophobicContact CG-CZ 3.61Å
506	S	92.3	Very high	91.6	Very high	63 Å²	63	58.1 Å²	58.1	44%	0.441	30%	0.302	S	S	.	.	H	α-helix	trans	-67.2	-46.5	177.1	52.2	0	0	0	0	111.7	E504 T509 D510	E504-S506 PolarHBondContact O-N 3.17Å; E504-S506 VanDerWaalsContact O-N 3.11Å; S506-T509 PolarHBondContact O-N 2.73Å; S506-D510 WeakPolarHBondContact O-CB 3.21Å; S506-D510 PolarHBondContact O-N 3.49Å
507	E	92.7	Very high	91.6	Very high	27 Å²	27	63.6 Å²	63.6	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-43.4	177.5	-68.5	-176.6	122	0	0	111.6	K497 D498 V503 E504 T509 D510 Y511	K497-E507 PolarHBondContact N-OE1 3.17Å; D498-E507 PolarHBondContact N-OE1 3.33Å; V503-E507 HydrophobicContact CG1-CB 4.08Å; E504-E507 PolarHBondContact N-OE2 3.31Å; E504-E507 VanDerWaalsContact N-OE2 3.08Å; E504-E507 PolarHBondContact O-N 3.21Å; E504-E507 VanDerWaalsContact O-N 3.07Å; E507-T509 PolarHBondContact O-N 3.09Å; E507-D510 PolarHBondContact O-N 2.76Å; E507-Y511 WeakPolarHBondContact O-CB 3.1Å; E507-Y511 PolarHBondContact O-N 3.15Å
508	F	92.9	Very high	91.9	Very high	9 Å²	9	59.3 Å²	59.3	4%	0.039	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-46.8	174.9	-169.5	-84.6	0	0	0	111.4	M495 V503 E504 Y511 I512 I533 M536 F537 I548	M495-F508 HydrophobicContact CE-CB 3.99Å; M495-F508 HydrophobicContact CE-CD1 4.41Å; M495-F508 HydrophobicContact CE-CD2 3.09Å; M495-F508 HydrophobicContact CE-CE2 3.55Å; M495-F508 HydrophobicContact CE-CG 3.58Å; M495-F508 HydrophobicContact CE-CZ 4.37Å; M495-F508 HydrophobicContact SD-CD2 4.46Å; V503-F508 HydrophobicContact CG1-CB 3.88Å; V503-F508 HydrophobicContact CG1-CD2 4.37Å; E504-F508 PolarHBondContact O-N 2.89Å; F508-Y511 PolarHBondContact O-N 3Å; F508-I512 HydrophobicContact CD1-CG1 4.06Å; F508-I512 HydrophobicContact CE1-CG1 3.79Å; F508-I512 HydrophobicContact CZ-CG1 4.21Å; F508-I512 WeakPolarHBondContact O-CG1 3.32Å; F508-I512 PolarHBondContact O-N 3.44Å; F508-I533 HydrophobicContact CD1-CG2 3.81Å; F508-I533 HydrophobicContact CE1-CG2 4.1Å; F508-M536 HydrophobicContact CE1-CB 3.88Å; F508-M536 HydrophobicContact CE1-CE 4.32Å; F508-M536 HydrophobicContact CZ-CB 4.05Å; F508-M536 HydrophobicContact CZ-CE 4.32Å; F508-F537 HydrophobicContact CB-CD2 3.65Å; F508-F537 HydrophobicContact CB-CE2 4.22Å; F508-F537 HydrophobicContact CD1-CB 4.01Å; F508-F537 HydrophobicContact CD1-CD2 4.21Å; F508-F537 HydrophobicContact CD2-CD2 4.05Å; F508-F537 HydrophobicContact CE1-CB 4.22Å; F508-F537 HydrophobicContact CG-CB 4.37Å; F508-F537 AromaticContact CG-CD2 3.72Å; F508-F537 HydrophobicContact CG-CD2 3.72Å; F508-I548 HydrophobicContact CD2-CD1 3.67Å; F508-I548 HydrophobicContact CE2-CD1 3.93Å; F508-I548 HydrophobicContact CG-CD1 4.5Å
509	T	93.4	Very high	91.8	Very high	27 Å²	27	56.4 Å²	56.4	17%	0.166	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-48.8	179.4	-61.1	0	0	0	0	112.1	P505 S506 E507 Y511 I512 M513 Y530 I533	P505-T509 VanDerWaalsContact O-CB 3.25Å; P505-T509 WeakPolarHBondContact O-CB 3.15Å; P505-T509 PolarHBondContact O-N 2.95Å; P505-T509 PolarHBondContact O-OG1 3.38Å; S506-T509 PolarHBondContact O-N 2.73Å; E507-T509 PolarHBondContact O-N 3.09Å; T509-Y511 VanDerWaalsContact C-N 3.3Å; T509-Y511 PolarHBondContact O-N 2.89Å; T509-I512 PolarHBondContact O-N 3.42Å; T509-M513 HydrophobicContact CG2-CG 4.22Å; T509-M513 VanDerWaalsContact O-CB 3.29Å; T509-M513 WeakPolarHBondContact O-CB 3.46Å; T509-M513 VanDerWaalsContact O-CG 3.25Å; T509-M513 WeakPolarHBondContact O-CG 3.24Å; T509-M513 PolarHBondContact O-N 3.29Å; T509-Y530 HydrophobicContact CG2-CD1 3.8Å; T509-Y530 HydrophobicContact CG2-CE1 3.89Å; T509-I533 HydrophobicContact CG2-CD1 4.33Å; T509-I533 HydrophobicContact CG2-CG2 4.16Å; T509-I533 WeakPolarHBondContact OG1-CG2 3.32Å
510	D	93.4	Very high	91.7	Very high	105 Å²	105	51.9 Å²	51.9	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-60	-43.2	-179.8	-79.2	-8.3	0	0	0	110.9	S506 E507 Q514	S506-D510 WeakPolarHBondContact O-CB 3.21Å; S506-D510 PolarHBondContact O-N 3.49Å; E507-D510 PolarHBondContact O-N 2.76Å; D510-Q514 VanDerWaalsContact O-CB 3.26Å; D510-Q514 WeakPolarHBondContact O-CB 3.48Å; D510-Q514 PolarHBondContact O-N 3.39Å
511	Y	92.6	Very high	91.6	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-52	178.3	-176.7	-95.2	0	0	0	112	W483 L491 E494 M495 E507 F508 T509 M513 Q514 Q515	W483-Y511 AromaticContact CH2-CE1 3.96Å; W483-Y511 HydrophobicContact CH2-CE1 3.96Å; L491-Y511 HydrophobicContact CD2-CE1 3.92Å; L491-Y511 WeakPolarHBondContact CD2-OH 3.39Å; E494-Y511 HydrophobicContact CB-CD2 4.45Å; E494-Y511 HydrophobicContact CB-CE2 3.62Å; E494-Y511 PolarHBondContact OE2-OH 2.69Å; M495-Y511 HydrophobicContact CB-CG 4.46Å; M495-Y511 HydrophobicContact CE-CD1 3.87Å; M495-Y511 HydrophobicContact CE-CG 4.28Å; M495-Y511 HydrophobicContact CG-CD1 3.41Å; M495-Y511 VanDerWaalsContact CG-CD1 3.41Å; M495-Y511 HydrophobicContact CG-CD2 3.8Å; M495-Y511 HydrophobicContact CG-CE1 3.8Å; M495-Y511 HydrophobicContact CG-CE2 4.17Å; M495-Y511 HydrophobicContact CG-CG 3.41Å; M495-Y511 VanDerWaalsContact CG-CG 3.41Å; M495-Y511 HydrophobicContact SD-CD1 3.73Å; M495-Y511 HydrophobicContact SD-CE1 4.04Å; M495-Y511 HydrophobicContact SD-CG 4.3Å; E507-Y511 WeakPolarHBondContact O-CB 3.1Å; E507-Y511 PolarHBondContact O-N 3.15Å; F508-Y511 PolarHBondContact O-N 3Å; T509-Y511 VanDerWaalsContact C-N 3.3Å; T509-Y511 PolarHBondContact O-N 2.89Å; Y511-M513 VanDerWaalsContact C-N 3.34Å; Y511-M513 PolarHBondContact O-N 3.26Å; Y511-Q514 WeakPolarHBondContact O-CB 3.5Å; Y511-Q514 PolarHBondContact O-N 3.18Å; Y511-Q514 VanDerWaalsContact O-N 3.1Å; Y511-Q515 HydrophobicContact CD1-CG 4.04Å; Y511-Q515 HydrophobicContact CE1-CG 3.71Å; Y511-Q515 VanDerWaalsContact CE2-NE2 3.28Å; Y511-Q515 VanDerWaalsContact CZ-NE2 3.3Å; Y511-Q515 WeakPolarHBondContact O-CG 3.35Å; Y511-Q515 PolarHBondContact O-N 3.49Å
512	I	92.2	Very high	91.6	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-43.2	-178.9	-63.6	-63.7	0	0	0	110.9	F481 M495 F508 T509 Q514 Q515 V516 L523 I533 M536	F481-I512 HydrophobicContact CD2-CG2 4.1Å; F481-I512 HydrophobicContact CE2-CG2 4.14Å; M495-I512 HydrophobicContact CE-CG1 4.44Å; F508-I512 HydrophobicContact CD1-CG1 4.06Å; F508-I512 HydrophobicContact CE1-CG1 3.79Å; F508-I512 HydrophobicContact CZ-CG1 4.21Å; F508-I512 WeakPolarHBondContact O-CG1 3.32Å; F508-I512 PolarHBondContact O-N 3.44Å; T509-I512 PolarHBondContact O-N 3.42Å; I512-Q514 VanDerWaalsContact C-N 3.29Å; I512-Q514 PolarHBondContact O-N 3.04Å; I512-Q515 PolarHBondContact O-N 3.31Å; I512-V516 WeakPolarHBondContact O-CG2 3.44Å; I512-V516 PolarHBondContact O-N 3.41Å; I512-L523 HydrophobicContact CG2-CD2 4.14Å; I512-I533 HydrophobicContact CB-CD1 4.23Å; I512-I533 HydrophobicContact CB-CG1 4.29Å; I512-I533 HydrophobicContact CG2-CD1 3.95Å; I512-I533 HydrophobicContact CG2-CG1 3.82Å; I512-M536 HydrophobicContact CD1-CE 4.09Å; I512-M536 HydrophobicContact CG1-CE 4.29Å; I512-M536 HydrophobicContact CG2-CE 4.3Å
513	M	93	Very high	91.5	Very high	37 Å²	37	49.9 Å²	49.9	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-38.6	174.9	-72.7	-65.4	-81.6	0	0	111.7	T509 Y511 V516 N517 P529 Y530 I533	T509-M513 HydrophobicContact CG2-CG 4.22Å; T509-M513 VanDerWaalsContact O-CB 3.29Å; T509-M513 WeakPolarHBondContact O-CB 3.46Å; T509-M513 VanDerWaalsContact O-CG 3.25Å; T509-M513 WeakPolarHBondContact O-CG 3.24Å; T509-M513 PolarHBondContact O-N 3.29Å; Y511-M513 VanDerWaalsContact C-N 3.34Å; Y511-M513 PolarHBondContact O-N 3.26Å; M513-V516 PolarHBondContact O-N 3.07Å; M513-N517 WeakPolarHBondContact O-CB 3.41Å; M513-N517 PolarHBondContact O-N 3.06Å; M513-N517 PolarHBondContact O-ND2 3.22Å; M513-N517 VanDerWaalsContact O-ND2 3.1Å; M513-P529 HydrophobicContact SD-CB 4.09Å; M513-Y530 HydrophobicContact CE-CE1 4.38Å; M513-Y530 HydrophobicContact CE-CE2 4.48Å; M513-I533 HydrophobicContact CG-CD1 3.59Å; M513-I533 HydrophobicContact SD-CD1 3.61Å
514	Q	92.3	Very high	91.2	Very high	104 Å²	104	50.7 Å²	50.7	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-44.5	174.1	-175.4	178.6	-8.2	0	0	111.7	D510 Y511 I512 V516 N517 D518	D510-Q514 VanDerWaalsContact O-CB 3.26Å; D510-Q514 WeakPolarHBondContact O-CB 3.48Å; D510-Q514 PolarHBondContact O-N 3.39Å; Y511-Q514 WeakPolarHBondContact O-CB 3.5Å; Y511-Q514 PolarHBondContact O-N 3.18Å; Y511-Q514 VanDerWaalsContact O-N 3.1Å; I512-Q514 VanDerWaalsContact C-N 3.29Å; I512-Q514 PolarHBondContact O-N 3.04Å; Q514-V516 VanDerWaalsContact C-N 3.3Å; Q514-V516 PolarHBondContact O-N 3.08Å; Q514-N517 PolarHBondContact O-N 3.04Å; Q514-D518 VanDerWaalsContact O-CB 3.31Å; Q514-D518 WeakPolarHBondContact O-CB 3.47Å; Q514-D518 PolarHBondContact O-N 3.1Å
515	Q	92.1	Very high	90.8	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-36.5	178.3	-58.5	-48.8	-43.5	0	0	112.6	F481 W483 Y511 I512 G519 K520 G521	F481-Q515 HydrophobicContact CZ-CB 4.3Å; W483-Q515 HydrophobicContact CH2-CB 4.39Å; W483-Q515 HydrophobicContact CH2-CG 3.68Å; W483-Q515 HydrophobicContact CZ3-CB 4.08Å; W483-Q515 HydrophobicContact CZ3-CG 3.71Å; Y511-Q515 HydrophobicContact CD1-CG 4.04Å; Y511-Q515 HydrophobicContact CE1-CG 3.71Å; Y511-Q515 VanDerWaalsContact CE2-NE2 3.28Å; Y511-Q515 VanDerWaalsContact CZ-NE2 3.3Å; Y511-Q515 WeakPolarHBondContact O-CG 3.35Å; Y511-Q515 PolarHBondContact O-N 3.49Å; I512-Q515 PolarHBondContact O-N 3.31Å; Q515-G519 PolarHBondContact O-N 3.5Å; Q515-K520 PolarHBondContact O-N 2.83Å; Q515-G521 PolarHBondContact O-N 2.92Å; Q515-G521 VanDerWaalsContact O-N 3.13Å
516	V	90.5	Very high	90.3	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-67	-47.1	174.2	176.1	0	0	0	0	110.8	F481 I512 M513 Q514 D518 G519 L523	F481-V516 HydrophobicContact CD2-CG2 4.39Å; F481-V516 HydrophobicContact CE2-CG2 3.92Å; I512-V516 WeakPolarHBondContact O-CG2 3.44Å; I512-V516 PolarHBondContact O-N 3.41Å; M513-V516 PolarHBondContact O-N 3.07Å; Q514-V516 VanDerWaalsContact C-N 3.3Å; Q514-V516 PolarHBondContact O-N 3.08Å; V516-D518 VanDerWaalsContact C-N 3.31Å; V516-D518 PolarHBondContact O-N 2.92Å; V516-G519 PolarHBondContact O-N 3.31Å; V516-L523 HydrophobicContact CG2-CD1 3.92Å; V516-L523 HydrophobicContact CG2-CG 3.8Å
517	N	91.3	Very high	89.9	Confident	128 Å²	128	48.5 Å²	48.5	68%	0.684	26%	0.261	S	S	*	.	H	α-helix	trans	-64.6	-34.5	179.5	-71.7	-29.7	0	0	0	112.9	M513 Q514 G519	M513-N517 WeakPolarHBondContact O-CB 3.41Å; M513-N517 PolarHBondContact O-N 3.06Å; M513-N517 PolarHBondContact O-ND2 3.22Å; M513-N517 VanDerWaalsContact O-ND2 3.1Å; Q514-N517 PolarHBondContact O-N 3.04Å; N517-G519 PolarHBondContact O-N 2.98Å
518	D	90.9	Very high	89.6	Confident	82 Å²	82	51.7 Å²	51.7	44%	0.439	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.1	175.2	-76.2	1.3	0	0	0	112.5	Q514 V516 K520	Q514-D518 VanDerWaalsContact O-CB 3.31Å; Q514-D518 WeakPolarHBondContact O-CB 3.47Å; Q514-D518 PolarHBondContact O-N 3.1Å; V516-D518 VanDerWaalsContact C-N 3.31Å; V516-D518 PolarHBondContact O-N 2.92Å; D518-K520 HydrophobicContact CB-CD 3.99Å; D518-K520 HydrophobicContact CB-CG 4.1Å; D518-K520 PolarHBondContact O-N 2.74Å; D518-K520 IonicContact OD2-NZ 2.66Å; D518-K520 PolarHBondContact OD2-NZ 2.84Å
519	G	87.6	Confident	89.5	Confident	40 Å²	40	53.7 Å²	53.7	41%	0.412	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	8	-177.3	0	0	0	0	0	114.7	N484 Q515 V516 N517	N484-G519 PolarHBondContact ND2-O 2.76Å; Q515-G519 PolarHBondContact O-N 3.5Å; V516-G519 PolarHBondContact O-N 3.31Å; N517-G519 PolarHBondContact O-N 2.98Å
520	K	88.4	Confident	89.4	Confident	82 Å²	82	59.2 Å²	59.2	36%	0.357	31%	0.312	S	S	.	.	S	Bend	trans	-80.9	-17.6	-178.9	-67.4	170.8	-178.6	160.5	0	113.3	N484 Q515 D518	N484-K520 PolarHBondContact N-O 3.38Å; Q515-K520 PolarHBondContact O-N 2.83Å; D518-K520 HydrophobicContact CB-CD 3.99Å; D518-K520 HydrophobicContact CB-CG 4.1Å; D518-K520 PolarHBondContact O-N 2.74Å; D518-K520 IonicContact OD2-NZ 2.66Å; D518-K520 PolarHBondContact OD2-NZ 2.84Å
521	G	88.3	Confident	89.2	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	171.2	174	0	0	0	0	0	112.2	I482 Q515	I482-G521 CarbonylContact O-C 3.53Å; I482-G521 WeakPolarHBondContact O-CA 3.23Å; Q515-G521 PolarHBondContact O-N 2.92Å; Q515-G521 VanDerWaalsContact O-N 3.13Å
522	R	89.9	Confident	89	Confident	109 Å²	109	62.4 Å²	62.4	41%	0.411	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.1	176.2	58	171.4	71.6	127.5	5.7	110.5	L475 F481 I482 N484	L475-R522 HydrophobicContact CD2-CG 3.71Å; F481-R522 WeakPolarHBondContact CA-O 3.29Å; F481-R522 WeakPolarHBondContact CD2-O 3.39Å; I482-R522 HydrophobicContact CD1-CG 3.97Å; I482-R522 HydrophobicContact CG1-CG 3.4Å; I482-R522 PolarHBondContact N-O 2.82Å; I482-R522 PolarHBondContact O-N 2.49Å; N484-R522 PolarHBondContact OD1-NE 3.15Å; N484-R522 VanDerWaalsContact OD1-NE 3.09Å; N484-R522 PolarHBondContact OD1-NH2 2.92Å; N484-R522 VanDerWaalsContact OD1-NH2 3.09Å
523	L	89.3	Confident	89	Confident	20 Å²	20	62 Å²	62	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	161.8	171.9	-71.3	165.7	0	0	0	110.2	F481 I512 V516 P525 P529 I532 I533 M536	F481-L523 HydrophobicContact CB-CD2 4.08Å; F481-L523 HydrophobicContact CD2-CD2 3.81Å; F481-L523 HydrophobicContact CD2-CG 4.14Å; F481-L523 HydrophobicContact CG-CD2 4.42Å; I512-L523 HydrophobicContact CG2-CD2 4.14Å; V516-L523 HydrophobicContact CG2-CD1 3.92Å; V516-L523 HydrophobicContact CG2-CG 3.8Å; L523-P525 WeakPolarHBondContact O-CD 3.46Å; L523-P525 VanDerWaalsContact O-N 3.17Å; L523-P529 HydrophobicContact CD1-CB 3.86Å; L523-I532 HydrophobicContact CB-CD1 4.24Å; L523-I532 HydrophobicContact CD2-CB 4.41Å; L523-I532 HydrophobicContact CD2-CG2 3.79Å; L523-I533 HydrophobicContact CD1-CD1 4.15Å; L523-I533 HydrophobicContact CD1-CG1 4.23Å; L523-I533 HydrophobicContact CD2-CG1 4.24Å; L523-M536 HydrophobicContact CD2-SD 3.85Å
524	A	85.7	Confident	88.9	Confident	18 Å²	18	64.3 Å²	64.3	15%	0.149	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-57.7	118.8	172.8	0	0	0	0	0	110.1	L475 M480 F527 I532	L475-A524 HydrophobicContact CD1-CB 3.96Å; L475-A524 HydrophobicContact CG-CB 4.32Å; M480-A524 PolarHBondContact O-N 2.83Å; A524-F527 HydrophobicContact CB-CD2 4.16Å; A524-I532 HydrophobicContact CB-CD1 4.34Å; A524-I532 VanDerWaalsContact O-CD1 3.32Å; A524-I532 WeakPolarHBondContact O-CD1 3.36Å
525	P	86	Confident	88.8	Confident	13 Å²	13	62.8 Å²	62.8	8%	0.084	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	156.6	-176.5	29.4	-35.3	0	0	0	111.2	F386 V414 E472 L523 F527	F386-P525 HydrophobicContact CB-CB 3.55Å; F386-P525 HydrophobicContact CB-CG 3.56Å; F386-P525 HydrophobicContact CD1-CB 4.23Å; F386-P525 HydrophobicContact CG-CB 4.03Å; V414-P525 VanDerWaalsContact CG2-O 3.3Å; V414-P525 WeakPolarHBondContact CG2-O 3.49Å; E472-P525 HydrophobicContact CG-CB 4.06Å; E472-P525 HydrophobicContact CG-CG 4.33Å; L523-P525 WeakPolarHBondContact O-CD 3.46Å; L523-P525 VanDerWaalsContact O-N 3.17Å; P525-F527 VanDerWaalsContact C-N 3.33Å; P525-F527 WeakPolarHBondContact O-CD2 3.42Å; P525-F527 PolarHBondContact O-N 2.82Å
526	G	81.9	Confident	88.7	Confident	40 Å²	40	63.7 Å²	63.7	41%	0.412	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	0.7	177.6	0	0	0	0	0	116.6
527	F	83.1	Confident	88.7	Confident	101 Å²	101	62 Å²	62	44%	0.443	32%	0.317	S	S	.	.	S	Bend	trans	-115.8	159.7	175.1	-61	-83.2	0	0	0	111.3	V414 A524 P525 P529 I532	V414-F527 HydrophobicContact CB-CE2 4.42Å; V414-F527 HydrophobicContact CG1-CE2 4.5Å; V414-F527 HydrophobicContact CG2-CD2 4.37Å; V414-F527 HydrophobicContact CG2-CE2 3.72Å; V414-F527 HydrophobicContact CG2-CZ 4.13Å; A524-F527 HydrophobicContact CB-CD2 4.16Å; P525-F527 VanDerWaalsContact C-N 3.33Å; P525-F527 WeakPolarHBondContact O-CD2 3.42Å; P525-F527 PolarHBondContact O-N 2.82Å; F527-P529 VanDerWaalsContact O-CD 3.27Å; F527-P529 WeakPolarHBondContact O-CD 3.41Å; F527-I532 HydrophobicContact CB-CD1 3.53Å; F527-I532 HydrophobicContact CB-CG1 3.77Å
528	D	87.5	Confident	88.6	Confident	93 Å²	93	59 Å²	59	50%	0.497	31%	0.306	S	S	.	.			trans	-64	116.6	173.4	-178.7	-12	0	0	0	109.7	Y530 R531 I532	D528-Y530 PolarHBondContact O-N 2.79Å; D528-Y530 PolarHBondContact OD1-N 3Å; D528-R531 HydrophobicContact CB-CB 4.02Å; D528-R531 PolarHBondContact O-N 2.65Å; D528-R531 VanDerWaalsContact O-N 3.1Å; D528-I532 WeakPolarHBondContact O-CG1 3.47Å; D528-I532 PolarHBondContact O-N 2.97Å
529	P	89.3	Confident	88.5	Confident	52 Å²	52	60.5 Å²	60.5	34%	0.338	31%	0.313	S	S	.	.	H	α-helix	trans	-52.9	-41.3	-178.3	-27.6	36	0	0	0	113.2	M513 L523 F527 R531 I532 I533	M513-P529 HydrophobicContact SD-CB 4.09Å; L523-P529 HydrophobicContact CD1-CB 3.86Å; F527-P529 VanDerWaalsContact O-CD 3.27Å; F527-P529 WeakPolarHBondContact O-CD 3.41Å; P529-R531 VanDerWaalsContact C-N 3.35Å; P529-R531 PolarHBondContact O-N 3.08Å; P529-I532 PolarHBondContact O-N 2.86Å; P529-I533 WeakPolarHBondContact O-CB 3.19Å; P529-I533 WeakPolarHBondContact O-CD1 3.28Å; P529-I533 WeakPolarHBondContact O-CG1 3.43Å; P529-I533 PolarHBondContact O-N 2.77Å
530	Y	91.8	Very high	88.5	Confident	143 Å²	143	61 Å²	61	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-67.7	-37.6	-177.8	-67.9	-74.5	0	0	0	111.9	T509 M513 D528 I533 D534	T509-Y530 HydrophobicContact CG2-CD1 3.8Å; T509-Y530 HydrophobicContact CG2-CE1 3.89Å; M513-Y530 HydrophobicContact CE-CE1 4.38Å; M513-Y530 HydrophobicContact CE-CE2 4.48Å; D528-Y530 PolarHBondContact O-N 2.79Å; D528-Y530 PolarHBondContact OD1-N 3Å; Y530-I533 PolarHBondContact O-N 3.2Å; Y530-D534 VanDerWaalsContact O-CB 3.31Å; Y530-D534 WeakPolarHBondContact O-CB 3.46Å; Y530-D534 PolarHBondContact O-N 2.75Å
531	R	89.6	Confident	88.6	Confident	175 Å²	175	58 Å²	58	66%	0.66	29%	0.293	S	S	*	.	H	α-helix	trans	-69.1	-36.4	176.5	-171.9	177.5	176.1	-180	-2.5	112	D528 P529 N535	D528-R531 HydrophobicContact CB-CB 4.02Å; D528-R531 PolarHBondContact O-N 2.65Å; D528-R531 VanDerWaalsContact O-N 3.1Å; P529-R531 VanDerWaalsContact C-N 3.35Å; P529-R531 PolarHBondContact O-N 3.08Å; R531-N535 VanDerWaalsContact O-CG 3.26Å; R531-N535 PolarHBondContact O-N 2.91Å; R531-N535 VanDerWaalsContact O-N 3.07Å; R531-N535 PolarHBondContact O-ND2 3.31Å
532	I	89.3	Confident	88.4	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-48.1	174.5	-61.2	165.8	0	0	0	109.6	M480 L523 A524 F527 D528 P529 D534 N535 M536	M480-I532 HydrophobicContact CB-CG2 3.77Å; M480-I532 HydrophobicContact CG-CG2 4.32Å; M480-I532 HydrophobicContact SD-CG2 4.39Å; L523-I532 HydrophobicContact CB-CD1 4.24Å; L523-I532 HydrophobicContact CD2-CB 4.41Å; L523-I532 HydrophobicContact CD2-CG2 3.79Å; A524-I532 HydrophobicContact CB-CD1 4.34Å; A524-I532 VanDerWaalsContact O-CD1 3.32Å; A524-I532 WeakPolarHBondContact O-CD1 3.36Å; F527-I532 HydrophobicContact CB-CD1 3.53Å; F527-I532 HydrophobicContact CB-CG1 3.77Å; D528-I532 WeakPolarHBondContact O-CG1 3.47Å; D528-I532 PolarHBondContact O-N 2.97Å; P529-I532 PolarHBondContact O-N 2.86Å; I532-D534 PolarHBondContact O-N 3Å; I532-N535 WeakPolarHBondContact O-CB 3.05Å; I532-N535 PolarHBondContact O-N 3.24Å; I532-M536 HydrophobicContact CG2-CG 4.42Å; I532-M536 HydrophobicContact CG2-SD 3.93Å; I532-M536 VanDerWaalsContact O-CG 3.28Å; I532-M536 WeakPolarHBondContact O-CG 3.16Å; I532-M536 PolarHBondContact O-N 2.86Å
533	I	92	Very high	88.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-42.2	179.7	-69	169.9	0	0	0	111.3	F508 T509 I512 M513 L523 P529 Y530 N535 M536 F537	F508-I533 HydrophobicContact CD1-CG2 3.81Å; F508-I533 HydrophobicContact CE1-CG2 4.1Å; T509-I533 HydrophobicContact CG2-CD1 4.33Å; T509-I533 HydrophobicContact CG2-CG2 4.16Å; T509-I533 WeakPolarHBondContact OG1-CG2 3.32Å; I512-I533 HydrophobicContact CB-CD1 4.23Å; I512-I533 HydrophobicContact CB-CG1 4.29Å; I512-I533 HydrophobicContact CG2-CD1 3.95Å; I512-I533 HydrophobicContact CG2-CG1 3.82Å; M513-I533 HydrophobicContact CG-CD1 3.59Å; M513-I533 HydrophobicContact SD-CD1 3.61Å; L523-I533 HydrophobicContact CD1-CD1 4.15Å; L523-I533 HydrophobicContact CD1-CG1 4.23Å; L523-I533 HydrophobicContact CD2-CG1 4.24Å; P529-I533 WeakPolarHBondContact O-CB 3.19Å; P529-I533 WeakPolarHBondContact O-CD1 3.28Å; P529-I533 WeakPolarHBondContact O-CG1 3.43Å; P529-I533 PolarHBondContact O-N 2.77Å; Y530-I533 PolarHBondContact O-N 3.2Å; I533-N535 VanDerWaalsContact C-N 3.34Å; I533-N535 PolarHBondContact O-N 3.36Å; I533-M536 CarbonylContact O-C 3.51Å; I533-M536 WeakPolarHBondContact O-CB 3.49Å; I533-M536 PolarHBondContact O-N 3.15Å; I533-M536 VanDerWaalsContact O-N 3.13Å; I533-F537 WeakPolarHBondContact O-CB 3.12Å; I533-F537 PolarHBondContact O-N 2.78Å
534	D	90.8	Very high	88.3	Confident	86 Å²	86	63.4 Å²	63.4	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-42	176.2	-175.6	62.8	0	0	0	112	Y530 I532 F537 S538	Y530-D534 VanDerWaalsContact O-CB 3.31Å; Y530-D534 WeakPolarHBondContact O-CB 3.46Å; Y530-D534 PolarHBondContact O-N 2.75Å; I532-D534 PolarHBondContact O-N 3Å; D534-F537 PolarHBondContact O-N 2.98Å; D534-S538 WeakPolarHBondContact O-CB 3.23Å; D534-S538 PolarHBondContact O-N 2.78Å; D534-S538 PolarHBondContact O-OG 2.81Å
535	N	89.1	Confident	88.5	Confident	71 Å²	71	67 Å²	67	38%	0.38	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-38.6	172.5	-71.2	-27.8	0	0	0	112	M480 R531 I532 I533 N539	M480-N535 HydrophobicContact CE-CB 4.3Å; M480-N535 HydrophobicContact SD-CB 3.9Å; R531-N535 VanDerWaalsContact O-CG 3.26Å; R531-N535 PolarHBondContact O-N 2.91Å; R531-N535 VanDerWaalsContact O-N 3.07Å; R531-N535 PolarHBondContact O-ND2 3.31Å; I532-N535 WeakPolarHBondContact O-CB 3.05Å; I532-N535 PolarHBondContact O-N 3.24Å; I533-N535 VanDerWaalsContact C-N 3.34Å; I533-N535 PolarHBondContact O-N 3.36Å; N535-N539 WeakPolarHBondContact O-CB 3.26Å; N535-N539 PolarHBondContact O-N 2.76Å; N535-N539 PolarHBondContact O-ND2 2.96Å
536	M	90.2	Very high	88.7	Confident	26 Å²	26	67.9 Å²	67.9	13%	0.128	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-45.8	175	-71.4	166.6	57.4	0	0	110.9	M480 F481 F508 I512 L523 I532 I533 N539 Q540	M480-M536 HydrophobicContact CB-CG 3.86Å; M480-M536 HydrophobicContact CB-SD 4.13Å; M480-M536 HydrophobicContact CE-CB 4.39Å; M480-M536 HydrophobicContact CE-CG 3.67Å; M480-M536 HydrophobicContact SD-CG 4.22Å; F481-M536 HydrophobicContact CB-CE 3.53Å; F481-M536 HydrophobicContact CB-SD 3.79Å; F481-M536 HydrophobicContact CG-CE 4.03Å; F508-M536 HydrophobicContact CE1-CB 3.88Å; F508-M536 HydrophobicContact CE1-CE 4.32Å; F508-M536 HydrophobicContact CZ-CB 4.05Å; F508-M536 HydrophobicContact CZ-CE 4.32Å; I512-M536 HydrophobicContact CD1-CE 4.09Å; I512-M536 HydrophobicContact CG1-CE 4.29Å; I512-M536 HydrophobicContact CG2-CE 4.3Å; L523-M536 HydrophobicContact CD2-SD 3.85Å; I532-M536 HydrophobicContact CG2-CG 4.42Å; I532-M536 HydrophobicContact CG2-SD 3.93Å; I532-M536 VanDerWaalsContact O-CG 3.28Å; I532-M536 WeakPolarHBondContact O-CG 3.16Å; I532-M536 PolarHBondContact O-N 2.86Å; I533-M536 CarbonylContact O-C 3.51Å; I533-M536 WeakPolarHBondContact O-CB 3.49Å; I533-M536 PolarHBondContact O-N 3.15Å; I533-M536 VanDerWaalsContact O-N 3.13Å; M536-N539 PolarHBondContact O-N 2.88Å; M536-Q540 WeakPolarHBondContact O-CB 3.48Å; M536-Q540 PolarHBondContact O-N 2.66Å; M536-Q540 VanDerWaalsContact O-N 3.17Å
537	F	91.5	Very high	89.2	Confident	9 Å²	9	69 Å²	69	4%	0.039	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-52.6	175.9	-179	-86.3	0	0	0	110.8	P505 F508 I533 D534 N539 Q540 D541 G546 I548	P505-F537 HydrophobicContact CB-CD2 4.45Å; P505-F537 HydrophobicContact CB-CE1 4.49Å; P505-F537 HydrophobicContact CB-CE2 4.31Å; P505-F537 HydrophobicContact CB-CZ 4.34Å; P505-F537 HydrophobicContact CG-CD1 4.32Å; P505-F537 HydrophobicContact CG-CE1 3.78Å; P505-F537 HydrophobicContact CG-CE2 4.03Å; P505-F537 HydrophobicContact CG-CZ 3.61Å; F508-F537 HydrophobicContact CB-CD2 3.65Å; F508-F537 HydrophobicContact CB-CE2 4.22Å; F508-F537 HydrophobicContact CD1-CB 4.01Å; F508-F537 HydrophobicContact CD1-CD2 4.21Å; F508-F537 HydrophobicContact CD2-CD2 4.05Å; F508-F537 HydrophobicContact CE1-CB 4.22Å; F508-F537 HydrophobicContact CG-CB 4.37Å; F508-F537 AromaticContact CG-CD2 3.72Å; F508-F537 HydrophobicContact CG-CD2 3.72Å; I533-F537 WeakPolarHBondContact O-CB 3.12Å; I533-F537 PolarHBondContact O-N 2.78Å; D534-F537 PolarHBondContact O-N 2.98Å; F537-N539 PolarHBondContact O-N 2.83Å; F537-Q540 CarbonylContact O-C 3.57Å; F537-Q540 WeakPolarHBondContact O-CA 3.39Å; F537-Q540 WeakPolarHBondContact O-CB 3.36Å; F537-Q540 PolarHBondContact O-N 3.24Å; F537-D541 HydrophobicContact CD1-CB 4.41Å; F537-D541 HydrophobicContact CE1-CB 4.02Å; F537-D541 PolarHBondContact O-N 3.03Å; F537-G546 WeakPolarHBondContact CZ-O 3.44Å; F537-I548 HydrophobicContact CD2-CD1 3.33Å; F537-I548 HydrophobicContact CD2-CG1 4.09Å; F537-I548 HydrophobicContact CE2-CD1 3.4Å; F537-I548 VanDerWaalsContact CE2-CD1 3.4Å; F537-I548 HydrophobicContact CE2-CG1 3.66Å; F537-I548 HydrophobicContact CG-CD1 4.05Å; F537-I548 HydrophobicContact CZ-CD1 4.14Å; F537-I548 HydrophobicContact CZ-CG1 3.97Å
538	S	89.2	Confident	89.5	Confident	65 Å²	65	64.2 Å²	64.2	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-30.2	-179.7	-60.1	0	0	0	0	113.3	D534 Q540	D534-S538 WeakPolarHBondContact O-CB 3.23Å; D534-S538 PolarHBondContact O-N 2.78Å; D534-S538 PolarHBondContact O-OG 2.81Å; S538-Q540 VanDerWaalsContact C-N 3.32Å
539	N	87.8	Confident	89.7	Confident	113 Å²	113	61.7 Å²	61.7	60%	0.604	33%	0.326	S	S	*	.	H	α-helix	trans	-75.8	-22.6	173.9	-76.2	-36.6	0	0	0	112.9	M480 N535 M536 F537	M480-N539 VanDerWaalsContact CE-ND2 3.26Å; M480-N539 WeakPolarHBondContact CE-ND2 3.32Å; N535-N539 WeakPolarHBondContact O-CB 3.26Å; N535-N539 PolarHBondContact O-N 2.76Å; N535-N539 PolarHBondContact O-ND2 2.96Å; M536-N539 PolarHBondContact O-N 2.88Å; F537-N539 PolarHBondContact O-N 2.83Å
540	Q	87.1	Confident	89.5	Confident	51 Å²	51	65.3 Å²	65.3	24%	0.238	34%	0.339	C	S	.	.	H	α-helix	trans	-93.4	-31.2	-179.4	-161.9	68.4	49.1	0	0	112.4	M536 F537 S538 R542 I548 E552 F553	M536-Q540 WeakPolarHBondContact O-CB 3.48Å; M536-Q540 PolarHBondContact O-N 2.66Å; M536-Q540 VanDerWaalsContact O-N 3.17Å; F537-Q540 CarbonylContact O-C 3.57Å; F537-Q540 WeakPolarHBondContact O-CA 3.39Å; F537-Q540 WeakPolarHBondContact O-CB 3.36Å; F537-Q540 PolarHBondContact O-N 3.24Å; S538-Q540 VanDerWaalsContact C-N 3.32Å; Q540-R542 PolarHBondContact O-N 2.77Å; Q540-R542 VanDerWaalsContact O-N 3.12Å; Q540-I548 HydrophobicContact CB-CD1 3.73Å; Q540-I548 HydrophobicContact CB-CG1 4.33Å; Q540-I548 HydrophobicContact CG-CD1 3.9Å; Q540-I548 HydrophobicContact CG-CG1 4.39Å; Q540-I548 HydrophobicContact CG-CG2 4.02Å; Q540-E552 PolarHBondContact NE2-O 3.42Å; Q540-F553 HydrophobicContact CG-CD2 4.42Å
541	D	90.3	Very high	89.1	Confident	19 Å²	19	65.5 Å²	65.5	10%	0.102	34%	0.344	C	S	.	.			trans	-72.1	90.1	166.7	174.6	5.7	0	0	0	109	F537 N543 G544 D545 G546 I548	F537-D541 HydrophobicContact CD1-CB 4.41Å; F537-D541 HydrophobicContact CE1-CB 4.02Å; F537-D541 PolarHBondContact O-N 3.03Å; D541-N543 PolarHBondContact OD1-OD1 3.28Å; D541-N543 VanDerWaalsContact OD1-OD1 3.09Å; D541-G544 WeakPolarHBondContact OD1-CA 3.31Å; D541-G544 PolarHBondContact OD1-N 3.43Å; D541-D545 PolarHBondContact OD1-N 2.92Å; D541-G546 VanDerWaalsContact OD2-CA 3.24Å; D541-G546 WeakPolarHBondContact OD2-CA 3.47Å; D541-G546 PolarHBondContact OD2-N 3.4Å; D541-I548 HydrophobicContact CB-CG1 4.2Å
542	R	85.1	Confident	88.8	Confident	91 Å²	91	57.9 Å²	57.9	34%	0.343	32%	0.317	S	S	.	.	S	Bend	trans	-81.9	-29.4	-170.8	-66.3	-174.9	-172.7	166.9	15.5	112.3	Q540 E552 K554 E559	Q540-R542 PolarHBondContact O-N 2.77Å; Q540-R542 VanDerWaalsContact O-N 3.12Å; R542-E552 PolarHBondContact N-OE1 3.12Å; R542-E552 PolarHBondContact NH2-O 3.13Å; R542-K554 PolarHBondContact NH2-O 3.24Å; R542-E559 IonicContact CZ-OE1 3.78Å; R542-E559 IonicContact NH1-OE1 3.63Å; R542-E559 PolarHBondContact NH1-OE1 3.11Å; R542-E559 IonicContact NH1-OE2 3.69Å; R542-E559 PolarHBondContact NH1-OE2 3.23Å; R542-E559 VanDerWaalsContact NH1-OE2 3.07Å
543	N	88.6	Confident	88.2	Confident	94 Å²	94	59.7 Å²	59.7	50%	0.503	32%	0.324	S	S	.	.	S	Bend	trans	-88.6	-12.2	-178.8	74.4	16.1	0	0	0	112	D541 D545 E552	D541-N543 PolarHBondContact OD1-OD1 3.28Å; D541-N543 VanDerWaalsContact OD1-OD1 3.09Å; N543-D545 PolarHBondContact ND2-OD2 3.01Å; N543-D545 WeakPolarHBondContact OD1-CB 3.3Å; N543-D545 PolarHBondContact OD1-N 2.82Å; N543-D545 PolarHBondContact OD1-OD1 2.88Å; N543-D545 PolarHBondContact OD1-OD2 3.25Å; N543-E552 PolarHBondContact N-OE1 2.84Å; N543-E552 PolarHBondContact ND2-OE1 2.93Å; N543-E552 PolarHBondContact OD1-OE1 2.88Å
544	G	88.3	Confident	87.1	Confident	61 Å²	61	64.8 Å²	64.8	63%	0.629	35%	0.346	S	S	*	.			trans	72.9	24.7	177	0	0	0	0	0	113.6	D541 G546	D541-G544 WeakPolarHBondContact OD1-CA 3.31Å; D541-G544 PolarHBondContact OD1-N 3.43Å; G544-G546 VanDerWaalsContact C-N 3.31Å
545	D	90.4	Very high	85.5	Confident	92 Å²	92	66.6 Å²	66.6	49%	0.492	36%	0.355	S	S	.	.	S	Bend	trans	-85.9	-3	-177.9	75.2	14.9	0	0	0	113.5	D541 N543 K547	D541-D545 PolarHBondContact OD1-N 2.92Å; N543-D545 PolarHBondContact ND2-OD2 3.01Å; N543-D545 WeakPolarHBondContact OD1-CB 3.3Å; N543-D545 PolarHBondContact OD1-N 2.82Å; N543-D545 PolarHBondContact OD1-OD1 2.88Å; N543-D545 PolarHBondContact OD1-OD2 3.25Å; D545-K547 WeakPolarHBondContact OD1-CB 3.19Å; D545-K547 PolarHBondContact OD1-N 2.97Å
546	G	90.4	Very high	83.7	Confident	33 Å²	33	71.4 Å²	71.4	34%	0.34	37%	0.373	S	S	.	.	S	Bend	trans	85.8	11.7	178.4	0	0	0	0	0	113.8	F537 D541 G544	F537-G546 WeakPolarHBondContact CZ-O 3.44Å; D541-G546 VanDerWaalsContact OD2-CA 3.24Å; D541-G546 WeakPolarHBondContact OD2-CA 3.47Å; D541-G546 PolarHBondContact OD2-N 3.4Å; G544-G546 VanDerWaalsContact C-N 3.31Å
547	K	91.6	Very high	81.6	Confident	64 Å²	64	74.5 Å²	74.5	28%	0.278	40%	0.403	S	S	.	.			trans	-137.5	158.7	178.9	-57.7	-175.5	176.3	-172.7	0	109.8	E502 D545	E502-K547 HydrophobicContact CB-CB 4.49Å; E502-K547 HydrophobicContact CB-CD 4.15Å; E502-K547 HydrophobicContact CG-CD 4.32Å; E502-K547 IonicContact OE1-NZ 3.65Å; E502-K547 WeakPolarHBondContact OE2-CD 3.21Å; E502-K547 WeakPolarHBondContact OE2-CE 3.49Å; E502-K547 IonicContact OE2-NZ 3.97Å; E502-K547 PolarHBondContact OE2-NZ 2.97Å; D545-K547 WeakPolarHBondContact OD1-CB 3.19Å; D545-K547 PolarHBondContact OD1-N 2.97Å
548	I	90.1	Very high	79.5	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.1	173.3	-60	164.3	0	0	0	108.5	F492 V503 F508 F537 Q540 D541 E552 F553	F492-I548 WeakPolarHBondContact CE2-O 3.33Å; V503-I548 HydrophobicContact CB-CB 4.27Å; V503-I548 PolarHBondContact N-O 3.45Å; V503-I548 PolarHBondContact O-N 3.47Å; F508-I548 HydrophobicContact CD2-CD1 3.67Å; F508-I548 HydrophobicContact CE2-CD1 3.93Å; F508-I548 HydrophobicContact CG-CD1 4.5Å; F537-I548 HydrophobicContact CD2-CD1 3.33Å; F537-I548 HydrophobicContact CD2-CG1 4.09Å; F537-I548 HydrophobicContact CE2-CD1 3.4Å; F537-I548 VanDerWaalsContact CE2-CD1 3.4Å; F537-I548 HydrophobicContact CE2-CG1 3.66Å; F537-I548 HydrophobicContact CG-CD1 4.05Å; F537-I548 HydrophobicContact CZ-CD1 4.14Å; F537-I548 HydrophobicContact CZ-CG1 3.97Å; Q540-I548 HydrophobicContact CB-CD1 3.73Å; Q540-I548 HydrophobicContact CB-CG1 4.33Å; Q540-I548 HydrophobicContact CG-CD1 3.9Å; Q540-I548 HydrophobicContact CG-CG1 4.39Å; Q540-I548 HydrophobicContact CG-CG2 4.02Å; D541-I548 HydrophobicContact CB-CG1 4.2Å; I548-E552 HydrophobicContact CG2-CB 4.18Å; I548-F553 HydrophobicContact CG2-CB 4.48Å; I548-F553 HydrophobicContact CG2-CD2 3.98Å
549	T	90.8	Very high	77.4	Confident	39 Å²	39	81 Å²	81	24%	0.239	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	164.9	174.5	60.3	0	0	0	0	111.9	E551 E552 F553	T549-E551 PolarHBondContact O-N 3.02Å; T549-E552 PolarHBondContact N-OE2 3.11Å; T549-E552 PolarHBondContact O-N 2.99Å; T549-E552 VanDerWaalsContact O-N 3.08Å; T549-E552 WeakPolarHBondContact OG1-CG 3.22Å; T549-E552 PolarHBondContact OG1-OE2 2.8Å; T549-F553 PolarHBondContact O-N 2.86Å; T549-F553 VanDerWaalsContact O-N 3.12Å
550	E	86.1	Confident	75.2	Confident	129 Å²	129	80 Å²	80	60%	0.603	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.4	178.2	-171.1	177	-166.9	0	0	112.1	F492	F492-E550 HydrophobicContact CB-CG 4.47Å; F492-E550 HydrophobicContact CD1-CB 3.84Å; F492-E550 HydrophobicContact CD1-CG 4.1Å; F492-E550 HydrophobicContact CD2-CB 4.19Å; F492-E550 HydrophobicContact CE1-CB 3.9Å; F492-E550 HydrophobicContact CE2-CB 4.24Å; F492-E550 HydrophobicContact CG-CB 4Å; F492-E550 HydrophobicContact CG-CG 4.14Å; F492-E550 HydrophobicContact CZ-CB 4.11Å
551	E	83.5	Confident	73	Confident	146 Å²	146	82.5 Å²	82.5	68%	0.682	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-40.5	176.2	-64	-173.1	171.5	0	0	111.8	T549 F553	T549-E551 PolarHBondContact O-N 3.02Å; E551-F553 VanDerWaalsContact C-N 3.32Å; E551-F553 PolarHBondContact O-N 3.22Å
552	E	82.3	Confident	70.4	Confident	16 Å²	16	90.5 Å²	90.5	8%	0.075	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-25.6	178.7	-69.2	170.8	121.7	0	0	112.9	Q540 R542 N543 I548 T549 K554	Q540-E552 PolarHBondContact NE2-O 3.42Å; R542-E552 PolarHBondContact N-OE1 3.12Å; R542-E552 PolarHBondContact NH2-O 3.13Å; N543-E552 PolarHBondContact N-OE1 2.84Å; N543-E552 PolarHBondContact ND2-OE1 2.93Å; N543-E552 PolarHBondContact OD1-OE1 2.88Å; I548-E552 HydrophobicContact CG2-CB 4.18Å; T549-E552 PolarHBondContact N-OE2 3.11Å; T549-E552 PolarHBondContact O-N 2.99Å; T549-E552 VanDerWaalsContact O-N 3.08Å; T549-E552 WeakPolarHBondContact OG1-CG 3.22Å; T549-E552 PolarHBondContact OG1-OE2 2.8Å; E552-K554 PolarHBondContact O-N 3.35Å
553	F	77.2	Confident	68.2	Low	49 Å²	49	93.1 Å²	93.1	22%	0.215	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.3	-179.8	-150.7	-89.7	0	0	0	113.9	L491 F492 M495 Q540 I548 T549 E551	L491-F553 HydrophobicContact CB-CD1 4.36Å; L491-F553 HydrophobicContact CB-CE1 3.36Å; L491-F553 HydrophobicContact CB-CZ 3.71Å; L491-F553 HydrophobicContact CD1-CE1 3.75Å; L491-F553 HydrophobicContact CD1-CZ 4.18Å; L491-F553 HydrophobicContact CG-CE1 4.19Å; L491-F553 HydrophobicContact CG-CZ 4.48Å; F492-F553 HydrophobicContact CB-CD1 4.44Å; F492-F553 HydrophobicContact CB-CG 4.38Å; F492-F553 HydrophobicContact CD2-CB 4.04Å; F492-F553 HydrophobicContact CD2-CD2 4.22Å; F492-F553 HydrophobicContact CD2-CG 4.19Å; M495-F553 HydrophobicContact SD-CE2 3.66Å; M495-F553 HydrophobicContact SD-CZ 3.7Å; Q540-F553 HydrophobicContact CG-CD2 4.42Å; I548-F553 HydrophobicContact CG2-CB 4.48Å; I548-F553 HydrophobicContact CG2-CD2 3.98Å; T549-F553 PolarHBondContact O-N 2.86Å; T549-F553 VanDerWaalsContact O-N 3.12Å; E551-F553 VanDerWaalsContact C-N 3.32Å; E551-F553 PolarHBondContact O-N 3.22Å
554	K	69.3	Low	65.3	Low	106 Å²	106	97.4 Å²	97.4	46%	0.461	54%	0.541	S	S	.	.	S	Bend	trans	-71.9	146.6	178.8	-67.4	175.3	-174.9	166.7	0	111.7	R542 E552 K556	R542-K554 PolarHBondContact NH2-O 3.24Å; E552-K554 PolarHBondContact O-N 3.35Å; K554-K556 PolarHBondContact O-N 2.67Å
555	L	57.7	Low	62.5	Low	125 Å²	125	106.2 Å²	106.2	65%	0.654	57%	0.572	S	S	*	*			trans	-62.6	137.6	173.8	-69.6	166.2	0	0	0	109.6	A557 D558	L555-A557 PolarHBondContact O-N 3.48Å; L555-D558 PolarHBondContact O-N 3.31Å
556	K	50.3	Low	61.1	Low	172 Å²	172	106.9 Å²	106.9	75%	0.748	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	-21.7	175.1	-109.3	-175.9	178.4	179.1	0	114.4	K554	K554-K556 PolarHBondContact O-N 2.67Å
557	A	47.1	Very low	59.5	Low	91 Å²	91	110.8 Å²	110.8	75%	0.752	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-17.8	178.8	0	0	0	0	0	114	L555	L555-A557 PolarHBondContact O-N 3.48Å
558	D	45.6	Very low	57.7	Low	119 Å²	119	113.4 Å²	113.4	64%	0.636	61%	0.606	S	S	*	*	S	Bend	trans	-97.6	-0	-176.8	-64.5	-31.9	0	0	0	112.7	L555	L555-D558 PolarHBondContact O-N 3.31Å
559	E	46	Very low	55.8	Low	90 Å²	90	120.1 Å²	120.1	42%	0.421	64%	0.641	S	S	.	*	S	Bend	trans	-86.1	123.4	171.7	-77.3	169.3	-163.7	0	0	109.9	R542 A561	R542-E559 IonicContact CZ-OE1 3.78Å; R542-E559 IonicContact NH1-OE1 3.63Å; R542-E559 PolarHBondContact NH1-OE1 3.11Å; R542-E559 IonicContact NH1-OE2 3.69Å; R542-E559 PolarHBondContact NH1-OE2 3.23Å; R542-E559 VanDerWaalsContact NH1-OE2 3.07Å; E559-A561 PolarHBondContact O-N 3.29Å
560	A	41.3	Very low	53.7	Low	93 Å²	93	125.1 Å²	125.1	77%	0.769	67%	0.666	S	S	*	*			trans	-55.3	127.2	172.6	0	0	0	0	0	109	H562	A560-H562 PolarHBondContact O-N 3.27Å
561	A	41.4	Very low	51.5	Low	103 Å²	103	124.9 Å²	124.9	85%	0.851	67%	0.671	S	S	*	*			trans	-35.2	102.5	-178.5	0	0	0	0	0	112	E559	E559-A561 PolarHBondContact O-N 3.29Å
562	H	35.1	Very low	49.2	Very low	187 Å²	187	123.4 Å²	123.4	87%	0.866	67%	0.67	S	S	*	*			trans	-87.8	118.3	163.8	-132	-72.2	0	0	0	105.9	A560 E564	A560-H562 PolarHBondContact O-N 3.27Å; H562-E564 PolarHBondContact O-N 3.25Å
563	D	39.4	Very low	46.7	Very low	147 Å²	147	131.6 Å²	131.6	79%	0.786	72%	0.716	S	S	*	*			trans	-45.5	133	177.9	-76.9	-41.6	0	0	0	111.9
564	E	27.6	Very low	44.1	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	76%	0.757	S	S	*	*			trans	177.3	115.8	142.1	-96	167.4	-156.4	0	0	107.5	H562	H562-E564 PolarHBondContact O-N 3.25Å
565	L	28.8	Very low	41.9	Very low	246 Å²	246	141.5 Å²	141.5	100%	1.288	78%	0.784	S	S	*	*				54.2	0	90.6	-93	171.1	0	0	0	114.8

Retrieved 565 of 565 residues in 593 ms (Link to these results)

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