A0A077ZK86_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	46.6	Very low	233 Å²	233	148.2 Å²	148.2	100%	1.148	79%	0.792	S	S	*	*				0	122	0	-75.7	-170.1	174.6	0	0	108.5	L3	M1-L3 PolarHBondContact O-N 3.24Å
2	P	37.7	Very low	48	Very low	131 Å²	131	147.6 Å²	147.6	85%	0.851	79%	0.789	S	S	*	*			trans	-78.9	111.1	172.9	22.7	-12.6	0	0	0	108.6	I4	P2-I4 PolarHBondContact O-N 3.11Å
3	L	39.5	Very low	49.4	Very low	160 Å²	160	148.2 Å²	148.2	84%	0.838	78%	0.78	S	S	*	*			trans	-58.4	120	166	-81.5	153.4	0	0	0	108.1	M1 R5	M1-L3 PolarHBondContact O-N 3.24Å; L3-R5 VanDerWaalsContact C-N 3.32Å; L3-R5 PolarHBondContact O-N 3.09Å
4	I	51.9	Low	50.5	Low	158 Å²	158	140.6 Å²	140.6	81%	0.81	76%	0.755	S	S	*	*			trans	-62	99.3	168.9	-64.3	169.3	0	0	0	106.2	P2 L6	P2-I4 PolarHBondContact O-N 3.11Å; I4-L6 PolarHBondContact O-N 3.12Å; I4-L6 VanDerWaalsContact O-N 3.14Å
5	R	43.6	Very low	51.9	Low	234 Å²	234	137.5 Å²	137.5	88%	0.883	74%	0.738	S	S	*	*			trans	-68.3	108.2	166.9	-70.7	-173.3	179.1	-165.6	-0	106.1	L3 S7	L3-R5 VanDerWaalsContact C-N 3.32Å; L3-R5 PolarHBondContact O-N 3.09Å; R5-S7 PolarHBondContact O-N 3.48Å; R5-S7 VanDerWaalsContact O-N 3.12Å
6	L	45.5	Very low	53.4	Low	157 Å²	157	131.1 Å²	131.1	82%	0.822	71%	0.707	S	S	*	*			trans	-53.3	119.6	162.9	-68.4	168.3	0	0	0	106.3	I4	I4-L6 PolarHBondContact O-N 3.12Å; I4-L6 VanDerWaalsContact O-N 3.14Å
7	S	45.5	Very low	54.7	Low	78 Å²	78	129.5 Å²	129.5	55%	0.545	69%	0.694	S	S	.	*			trans	-56.7	127.4	174.7	51.8	0	0	0	0	108	R5 N9	R5-S7 PolarHBondContact O-N 3.48Å; R5-S7 VanDerWaalsContact O-N 3.12Å; S7-N9 PolarHBondContact O-N 3.4Å
8	P	50.3	Low	55.7	Low	129 Å²	129	128 Å²	128	84%	0.838	68%	0.684	S	S	*	*	S	Bend	trans	-65.8	-0.8	-178.2	-17.7	30.1	0	0	0	114.7
9	N	47.6	Very low	56.9	Low	124 Å²	124	127.3 Å²	127.3	66%	0.663	68%	0.677	S	S	*	*			trans	-113	56.6	-180	-81.2	-0.7	0	0	0	111.4	S7 D11	S7-N9 PolarHBondContact O-N 3.4Å; N9-D11 PolarHBondContact O-N 3.06Å
10	T	54.5	Low	57.8	Low	135 Å²	135	126.8 Å²	126.8	83%	0.828	67%	0.668	S	S	*	*	S	Bend	trans	-75.7	84.2	146.9	30.5	0	0	0	0	105.6
11	D	58.6	Low	58.5	Low	91 Å²	91	123.9 Å²	123.9	49%	0.487	66%	0.655	S	S	.	*			trans	-34.9	134.9	-165.9	-60.1	-37.1	0	0	0	114.8	N9 K13 G14	N9-D11 PolarHBondContact O-N 3.06Å; D11-K13 HydrophobicContact CB-CB 4Å; D11-K13 CarbonylContact O-C 3.45Å; D11-K13 PolarHBondContact O-N 2.66Å; D11-G14 PolarHBondContact O-N 3.12Å
12	D	63.4	Low	60.4	Low	141 Å²	141	119.8 Å²	119.8	75%	0.754	63%	0.632	S	S	*	*	H	α-helix	trans	-42.8	-23.6	164.3	-80.2	-29.6	0	0	0	113.2	L15 S16	D12-L15 PolarHBondContact O-N 3.17Å; D12-S16 VanDerWaalsContact O-CB 3.24Å; D12-S16 WeakPolarHBondContact O-CB 3.46Å; D12-S16 PolarHBondContact O-N 3.15Å; D12-S16 PolarHBondContact O-OG 2.89Å
13	K	65.5	Low	62.3	Low	156 Å²	156	117.2 Å²	117.2	68%	0.678	62%	0.621	S	S	*	*	H	α-helix	trans	-53.7	-51.3	169.7	-78.1	-174.4	176.6	177.6	0	112.9	D11 L15 S16 E17	D11-K13 HydrophobicContact CB-CB 4Å; D11-K13 CarbonylContact O-C 3.45Å; D11-K13 PolarHBondContact O-N 2.66Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-L15 PolarHBondContact O-N 2.85Å; K13-S16 WeakPolarHBondContact CA-OG 3.36Å; K13-S16 PolarHBondContact O-N 2.68Å; K13-S16 PolarHBondContact O-OG 3.04Å; K13-E17 WeakPolarHBondContact O-CG 3.42Å; K13-E17 PolarHBondContact O-N 2.83Å
14	G	65.5	Low	63.9	Low	41 Å²	41	117 Å²	117	42%	0.423	62%	0.621	S	S	.	*	H	α-helix	trans	-63.3	-42.9	-176.8	0	0	0	0	0	111.9	D11 E17 I18	D11-G14 PolarHBondContact O-N 3.12Å; G14-E17 PolarHBondContact O-N 2.93Å; G14-I18 PolarHBondContact O-N 2.83Å; G14-I18 VanDerWaalsContact O-N 3.13Å
15	L	71.5	Confident	65.1	Low	95 Å²	95	118.1 Å²	118.1	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-62.1	-44.8	173	-176.8	64.7	0	0	0	111.2	D12 K13 E17 I18 Q19	D12-L15 PolarHBondContact O-N 3.17Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-L15 PolarHBondContact O-N 2.85Å; L15-E17 VanDerWaalsContact C-N 3.29Å; L15-E17 PolarHBondContact O-N 2.77Å; L15-I18 PolarHBondContact O-N 2.84Å; L15-Q19 HydrophobicContact CD1-CG 4.44Å; L15-Q19 HydrophobicContact CG-CG 4.42Å; L15-Q19 WeakPolarHBondContact O-CB 3.43Å; L15-Q19 WeakPolarHBondContact O-CG 3.2Å; L15-Q19 PolarHBondContact O-N 3.46Å
16	S	75.4	Confident	66.8	Low	35 Å²	35	113 Å²	113	25%	0.245	61%	0.61	C	S	.	*	H	α-helix	trans	-61.8	-36	178.2	80.8	0	0	0	0	112.3	D12 K13 K20	D12-S16 VanDerWaalsContact O-CB 3.24Å; D12-S16 WeakPolarHBondContact O-CB 3.46Å; D12-S16 PolarHBondContact O-N 3.15Å; D12-S16 PolarHBondContact O-OG 2.89Å; K13-S16 WeakPolarHBondContact CA-OG 3.36Å; K13-S16 PolarHBondContact O-N 2.68Å; K13-S16 PolarHBondContact O-OG 3.04Å; S16-K20 WeakPolarHBondContact O-CB 3.44Å; S16-K20 WeakPolarHBondContact O-CG 3.24Å; S16-K20 PolarHBondContact O-N 3.46Å
17	E	76	Confident	68.4	Low	104 Å²	104	113.4 Å²	113.4	49%	0.486	61%	0.612	S	S	.	*	H	α-helix	trans	-69.1	-43.2	176.6	-71.1	-54.4	128	0	0	111.4	K13 G14 L15 K20 V21	K13-E17 WeakPolarHBondContact O-CG 3.42Å; K13-E17 PolarHBondContact O-N 2.83Å; G14-E17 PolarHBondContact O-N 2.93Å; L15-E17 VanDerWaalsContact C-N 3.29Å; L15-E17 PolarHBondContact O-N 2.77Å; E17-K20 WeakPolarHBondContact O-CB 3.45Å; E17-K20 PolarHBondContact O-N 3.37Å; E17-K20 IonicContact OE1-NZ 2.74Å; E17-K20 PolarHBondContact OE1-NZ 3.25Å; E17-V21 WeakPolarHBondContact O-CG2 3.29Å; E17-V21 PolarHBondContact O-N 3.11Å
18	I	73.1	Confident	70	Confident	102 Å²	102	114.8 Å²	114.8	52%	0.523	62%	0.617	S	S	.	*	H	α-helix	trans	-64.3	-44.1	175.5	-66.2	171.5	0	0	0	110.5	G14 L15 K20 V21 F22	G14-I18 PolarHBondContact O-N 2.83Å; G14-I18 VanDerWaalsContact O-N 3.13Å; L15-I18 PolarHBondContact O-N 2.84Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 3.21Å; I18-V21 WeakPolarHBondContact O-CB 3.49Å; I18-V21 PolarHBondContact O-N 2.92Å; I18-V21 VanDerWaalsContact O-N 3.11Å; I18-F22 HydrophobicContact CG2-CD2 3.98Å; I18-F22 HydrophobicContact CG2-CE2 3.77Å; I18-F22 VanDerWaalsContact O-CD2 3.26Å; I18-F22 WeakPolarHBondContact O-CD2 3.38Å; I18-F22 PolarHBondContact O-N 2.8Å
19	Q	76.9	Confident	71.5	Confident	115 Å²	115	114 Å²	114	54%	0.537	61%	0.612	S	S	.	*	H	α-helix	trans	-59.6	-42.3	175.5	-74.5	175.8	-14.1	0	0	111.3	L15 V21 F22 A23	L15-Q19 HydrophobicContact CD1-CG 4.44Å; L15-Q19 HydrophobicContact CG-CG 4.42Å; L15-Q19 WeakPolarHBondContact O-CB 3.43Å; L15-Q19 WeakPolarHBondContact O-CG 3.2Å; L15-Q19 PolarHBondContact O-N 3.46Å; Q19-V21 VanDerWaalsContact C-N 3.34Å; Q19-V21 PolarHBondContact O-N 2.81Å; Q19-F22 PolarHBondContact O-N 3.23Å; Q19-A23 VanDerWaalsContact O-CB 3.29Å; Q19-A23 WeakPolarHBondContact O-CB 3.48Å; Q19-A23 PolarHBondContact O-N 3.13Å
20	K	74.8	Confident	73.4	Confident	116 Å²	116	114 Å²	114	50%	0.504	62%	0.619	S	S	.	*	H	α-helix	trans	-61.9	-38.1	173.4	-74.3	168.4	-163.5	172.3	0	112.7	S16 E17 I18 F22 A23	S16-K20 WeakPolarHBondContact O-CB 3.44Å; S16-K20 WeakPolarHBondContact O-CG 3.24Å; S16-K20 PolarHBondContact O-N 3.46Å; E17-K20 WeakPolarHBondContact O-CB 3.45Å; E17-K20 PolarHBondContact O-N 3.37Å; E17-K20 IonicContact OE1-NZ 2.74Å; E17-K20 PolarHBondContact OE1-NZ 3.25Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 3.21Å; K20-F22 VanDerWaalsContact C-N 3.26Å; K20-F22 PolarHBondContact O-N 2.95Å; K20-A23 PolarHBondContact O-N 3.41Å
21	V	74.2	Confident	74.9	Confident	66 Å²	66	112.6 Å²	112.6	40%	0.4	61%	0.605	S	S	.	*	H	α-helix	trans	-58.8	-39.8	176.4	168.7	0	0	0	0	110.7	E17 I18 Q19 R25	E17-V21 WeakPolarHBondContact O-CG2 3.29Å; E17-V21 PolarHBondContact O-N 3.11Å; I18-V21 WeakPolarHBondContact O-CB 3.49Å; I18-V21 PolarHBondContact O-N 2.92Å; I18-V21 VanDerWaalsContact O-N 3.11Å; Q19-V21 VanDerWaalsContact C-N 3.34Å; Q19-V21 PolarHBondContact O-N 2.81Å; V21-R25 WeakPolarHBondContact O-CD 3.39Å; V21-R25 WeakPolarHBondContact O-CG 3.13Å; V21-R25 PolarHBondContact O-NE 2.88Å
22	F	76.9	Confident	76.3	Confident	148 Å²	148	117.2 Å²	117.2	65%	0.649	62%	0.624	S	S	*	*	H	α-helix	trans	-86.5	-32.5	179.1	-69.4	-72.9	0	0	0	114	I18 Q19 K20 N24 R25	I18-F22 HydrophobicContact CG2-CD2 3.98Å; I18-F22 HydrophobicContact CG2-CE2 3.77Å; I18-F22 VanDerWaalsContact O-CD2 3.26Å; I18-F22 WeakPolarHBondContact O-CD2 3.38Å; I18-F22 PolarHBondContact O-N 2.8Å; Q19-F22 PolarHBondContact O-N 3.23Å; K20-F22 VanDerWaalsContact C-N 3.26Å; K20-F22 PolarHBondContact O-N 2.95Å; F22-N24 PolarHBondContact O-N 3.32Å; F22-N24 VanDerWaalsContact O-N 3.11Å; F22-R25 PolarHBondContact O-N 3.17Å; F22-R25 VanDerWaalsContact O-N 3.09Å
23	A	78.5	Confident	77.6	Confident	77 Å²	77	112.1 Å²	112.1	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-55.9	-33.9	-174.7	0	0	0	0	0	113.4	Q19 K20	Q19-A23 VanDerWaalsContact O-CB 3.29Å; Q19-A23 WeakPolarHBondContact O-CB 3.48Å; Q19-A23 PolarHBondContact O-N 3.13Å; K20-A23 PolarHBondContact O-N 3.41Å
24	N	72.8	Confident	78.9	Confident	155 Å²	155	106.8 Å²	106.8	83%	0.829	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	14.9	-178.2	-66.4	-17	0	0	0	113.4	F22	F22-N24 PolarHBondContact O-N 3.32Å; F22-N24 VanDerWaalsContact O-N 3.11Å
25	R	77.8	Confident	80.3	Confident	181 Å²	181	114.7 Å²	114.7	68%	0.683	60%	0.603	S	S	*	*			trans	-106	127.2	177.9	-78.2	-175.9	-168.4	-134	1.9	110.6	V21 F22	V21-R25 WeakPolarHBondContact O-CD 3.39Å; V21-R25 WeakPolarHBondContact O-CG 3.13Å; V21-R25 PolarHBondContact O-NE 2.88Å; F22-R25 PolarHBondContact O-N 3.17Å; F22-R25 VanDerWaalsContact O-N 3.09Å
26	T	78.9	Confident	81.5	Confident	127 Å²	127	111.7 Å²	111.7	78%	0.779	59%	0.59	S	S	*	*			trans	-83.6	134.4	169	-54.5	0	0	0	0	108.5	V28	T26-V28 PolarHBondContact O-N 2.84Å; T26-V28 VanDerWaalsContact O-N 3.12Å
27	L	77.8	Confident	82.4	Confident	165 Å²	165	117 Å²	117	86%	0.864	61%	0.611	S	S	*	*			trans	-64.4	112.2	166.2	-177.4	68	0	0	0	107.7
28	V	79.9	Confident	83.5	Confident	108 Å²	108	115.9 Å²	115.9	66%	0.655	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-76.7	150.8	170.4	-63.4	0	0	0	0	109.1	T26	T26-V28 PolarHBondContact O-N 2.84Å; T26-V28 VanDerWaalsContact O-N 3.12Å
29	P	82.8	Confident	84.6	Confident	113 Å²	113	113.8 Å²	113.8	73%	0.734	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-50.9	144.4	174.1	-27.3	35.1	0	0	0	111.6	L31	P29-L31 PolarHBondContact O-N 2.71Å
30	P	86	Confident	85.6	Confident	124 Å²	124	108.8 Å²	108.8	81%	0.805	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-54.9	135.6	175.5	-23.6	33.5	0	0	0	111.1	E32	P30-E32 PolarHBondContact O-N 2.83Å
31	L	86.1	Confident	86.6	Confident	104 Å²	104	106.9 Å²	106.9	55%	0.545	57%	0.571	S	S	.	*			trans	-85.7	109.2	171.7	-179.7	66.7	0	0	0	108.7	P29 V33 L69	P29-L31 PolarHBondContact O-N 2.71Å; L31-V33 HydrophobicContact CB-CG1 4.39Å; L31-V33 HydrophobicContact CD2-CG1 3.59Å; L31-V33 HydrophobicContact CG-CG1 3.63Å; L31-V33 PolarHBondContact O-N 2.88Å; L31-V33 VanDerWaalsContact O-N 3.17Å; L31-L69 HydrophobicContact CD2-CB 3.96Å; L31-L69 HydrophobicContact CD2-CD1 4.42Å
32	E	87.9	Confident	87.8	Confident	189 Å²	189	107.6 Å²	107.6	88%	0.883	57%	0.567	S	S	*	*			trans	-71.6	105.9	169.2	-69.1	-177.9	-179.4	0	0	109.1	P30	P30-E32 PolarHBondContact O-N 2.83Å
33	V	90.7	Very high	88.8	Confident	34 Å²	34	106.2 Å²	106.2	21%	0.206	56%	0.557	C	S	.	*			trans	-98.5	-25.4	-174.1	-70.3	0	0	0	0	113.9	L31 F54 K60 F62	L31-V33 HydrophobicContact CB-CG1 4.39Å; L31-V33 HydrophobicContact CD2-CG1 3.59Å; L31-V33 HydrophobicContact CG-CG1 3.63Å; L31-V33 PolarHBondContact O-N 2.88Å; L31-V33 VanDerWaalsContact O-N 3.17Å; V33-F54 HydrophobicContact CB-CZ 4.45Å; V33-F54 HydrophobicContact CG2-CE1 3.94Å; V33-F54 HydrophobicContact CG2-CZ 3.78Å; V33-K60 WeakPolarHBondContact O-CD 3.06Å; V33-K60 PolarHBondContact O-NZ 3.26Å; V33-F62 HydrophobicContact CB-CE1 4.27Å; V33-F62 HydrophobicContact CB-CZ 3.8Å; V33-F62 HydrophobicContact CG1-CE1 3.8Å; V33-F62 HydrophobicContact CG1-CZ 3.68Å
34	D	93.9	Very high	89.7	Confident	43 Å²	43	102.9 Å²	102.9	23%	0.23	53%	0.529	C	S	.	.			trans	-161.5	158.1	178	-157.9	-95.7	0	0	0	109.8	S36 F54 K60	D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.04Å; D34-S36 PolarHBondContact OD1-N 2.74Å; D34-S36 PolarHBondContact OD1-OG 3.29Å; D34-F54 HydrophobicContact CB-CD1 3.63Å; D34-F54 HydrophobicContact CB-CE1 3.32Å; D34-F54 HydrophobicContact CB-CE2 4.28Å; D34-F54 HydrophobicContact CB-CG 4.23Å; D34-F54 HydrophobicContact CB-CZ 3.69Å; D34-K60 VanDerWaalsContact OD2-CE 3.28Å; D34-K60 WeakPolarHBondContact OD2-CE 3.28Å; D34-K60 IonicContact OD2-NZ 2.68Å; D34-K60 PolarHBondContact OD2-NZ 3.35Å
35	E	93.8	Very high	90.8	Very high	207 Å²	207	103.9 Å²	103.9	97%	0.967	52%	0.521	S	S	*	.	S	Bend	trans	-76.7	-20.9	174.5	-63.8	176	179.4	0	0	112.2
36	S	96.3	Very high	91.6	Very high	33 Å²	33	99.1 Å²	99.1	23%	0.231	51%	0.512	C	S	.	.	S	Bend	trans	-87.5	158	-179.9	-36.8	0	0	0	0	111.3	D34 L38 F54 S56	D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.04Å; D34-S36 PolarHBondContact OD1-N 2.74Å; D34-S36 PolarHBondContact OD1-OG 3.29Å; S36-L38 PolarHBondContact O-N 3.15Å; S36-F54 WeakPolarHBondContact O-CD1 3.29Å; S36-S56 WeakPolarHBondContact CB-OG 3.36Å; S36-S56 WeakPolarHBondContact OG-CB 3.43Å; S36-S56 PolarHBondContact OG-OG 3Å
37	E	96.4	Very high	92.3	Very high	146 Å²	146	94.5 Å²	94.5	68%	0.682	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-61.2	130.8	175.3	-60.7	176.2	171.7	0	0	111.5	F54 S55	E37-F54 CarbonylContact O-C 3.59Å; E37-F54 VanDerWaalsContact O-CA 3.23Å; E37-F54 WeakPolarHBondContact O-CA 3.14Å; E37-S55 PolarHBondContact N-OG 3.16Å; E37-S55 PolarHBondContact O-N 3.22Å
38	L	97.2	Very high	93.2	Very high	81 Å²	81	89.6 Å²	89.6	42%	0.424	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.1	169.8	176.1	68.2	0	0	0	109.5	S36 M41 A52 F54	S36-L38 PolarHBondContact O-N 3.15Å; L38-M41 HydrophobicContact CD1-CE 4.16Å; L38-M41 HydrophobicContact CD2-CE 3.47Å; L38-M41 VanDerWaalsContact CD2-CE 3.47Å; L38-M41 HydrophobicContact CD2-SD 4.45Å; L38-M41 HydrophobicContact CG-CE 4.46Å; L38-A52 HydrophobicContact CD1-CB 3.59Å; L38-F54 HydrophobicContact CB-CD1 4.21Å; L38-F54 HydrophobicContact CB-CE1 3.95Å; L38-F54 HydrophobicContact CD1-CD1 4.29Å; L38-F54 HydrophobicContact CD1-CE1 3.82Å; L38-F54 HydrophobicContact CD1-CE2 4.49Å; L38-F54 HydrophobicContact CD1-CZ 3.93Å; L38-F54 HydrophobicContact CG-CE1 4.5Å
39	V	97.5	Very high	93.9	Very high	57 Å²	57	85.9 Å²	85.9	35%	0.345	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-40.2	-172.9	175.6	0	0	0	0	112.3	G53 N81	V39-G53 PolarHBondContact N-O 2.83Å; V39-N81 WeakPolarHBondContact CG2-OD1 3.28Å
40	S	96.6	Very high	94.6	Very high	10 Å²	10	80.6 Å²	80.6	7%	0.07	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.3	177.1	-173.7	0	0	0	0	111.1	A52 G53 D84	S40-A52 CarbonylContact O-C 3.54Å; S40-A52 WeakPolarHBondContact O-CA 3.41Å; S40-G53 PolarHBondContact N-O 2.85Å; S40-G53 PolarHBondContact O-N 2.96Å; S40-D84 PolarHBondContact OG-OD1 3Å
41	M	97.3	Very high	95.2	Very high	76 Å²	76	74.7 Å²	74.7	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.3	179.7	-178	178.8	-82.4	0	0	110.4	L38 L50 A51 A52	L38-M41 HydrophobicContact CD1-CE 4.16Å; L38-M41 HydrophobicContact CD2-CE 3.47Å; L38-M41 VanDerWaalsContact CD2-CE 3.47Å; L38-M41 HydrophobicContact CD2-SD 4.45Å; L38-M41 HydrophobicContact CG-CE 4.46Å; M41-L50 HydrophobicContact CE-CD2 4.08Å; M41-L50 HydrophobicContact CG-CD1 3.39Å; M41-L50 HydrophobicContact CG-CD2 4.13Å; M41-L50 HydrophobicContact CG-CG 3.86Å; M41-L50 HydrophobicContact SD-CD1 4Å; M41-L50 HydrophobicContact SD-CD2 3.73Å; M41-L50 HydrophobicContact SD-CG 4.15Å; M41-A51 CarbonylContact C-O 3.57Å; M41-A51 VanDerWaalsContact CA-O 3.27Å; M41-A51 WeakPolarHBondContact CA-O 3.16Å; M41-A52 HydrophobicContact CE-CB 4.18Å
42	R	98.1	Very high	95.8	Very high	81 Å²	81	69.8 Å²	69.8	31%	0.306	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.2	179.5	-56.8	-67.1	178.1	-166	-2.6	112.2	L50 A51 D84 L85 W87	R42-L50 VanDerWaalsContact C-CD1 3.47Å; R42-L50 WeakPolarHBondContact O-CD1 3.25Å; R42-A51 PolarHBondContact N-O 2.94Å; R42-A51 PolarHBondContact O-N 2.82Å; R42-D84 IonicContact NH2-OD1 3.69Å; R42-L85 HydrophobicContact CB-CD1 3.62Å; R42-L85 HydrophobicContact CG-CD1 3.58Å; R42-L85 HydrophobicContact CG-CG 4.38Å; R42-L85 WeakPolarHBondContact CG-O 3.23Å; R42-W87 PolarHBondContact O-NE1 2.89Å
43	W	98.1	Very high	96.3	Very high	120 Å²	120	60.8 Å²	60.8	46%	0.455	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.9	164.1	-70.3	99.8	0	0	0	110.5	G47 H49 L50 F64 L69 W87	W43-G47 VanDerWaalsContact CZ3-O 3.28Å; W43-G47 WeakPolarHBondContact CZ3-O 3.33Å; W43-H49 WeakPolarHBondContact CA-O 3.45Å; W43-L50 HydrophobicContact CD2-CB 4.31Å; W43-L50 HydrophobicContact CD2-CD1 3.76Å; W43-L50 HydrophobicContact CE3-CB 3.97Å; W43-L50 HydrophobicContact CE3-CD1 4.28Å; W43-L50 HydrophobicContact CG-CD1 3.93Å; W43-L50 HydrophobicContact CH2-CB 4.12Å; W43-L50 HydrophobicContact CH2-CD2 4.28Å; W43-L50 HydrophobicContact CZ2-CB 4.43Å; W43-L50 HydrophobicContact CZ2-CD1 4.25Å; W43-L50 HydrophobicContact CZ2-CD2 4.01Å; W43-L50 HydrophobicContact CZ2-CG 4.48Å; W43-L50 HydrophobicContact CZ3-CB 3.88Å; W43-F64 HydrophobicContact CH2-CB 3.54Å; W43-F64 HydrophobicContact CH2-CD1 4.07Å; W43-F64 AromaticContact CH2-CD2 3.74Å; W43-F64 HydrophobicContact CH2-CD2 3.74Å; W43-F64 HydrophobicContact CH2-CE2 4.44Å; W43-F64 AromaticContact CH2-CG 3.51Å; W43-F64 HydrophobicContact CH2-CG 3.51Å; W43-F64 HydrophobicContact CZ3-CB 3.45Å; W43-F64 VanDerWaalsContact CZ3-CB 3.45Å; W43-F64 HydrophobicContact CZ3-CD1 4.29Å; W43-F64 AromaticContact CZ3-CG 3.86Å; W43-F64 HydrophobicContact CZ3-CG 3.86Å; W43-L69 HydrophobicContact CH2-CD2 3.8Å; W43-L69 HydrophobicContact CZ2-CD2 4.47Å; W43-L69 HydrophobicContact CZ3-CD2 4.5Å; W43-W87 VanDerWaalsContact C-CD1 3.42Å; W43-W87 VanDerWaalsContact O-CD1 3.27Å
44	N	97.5	Very high	96.7	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	29%	0.294	C	S	.	.			trans	-71.3	170.3	162.9	82.5	-19.1	0	0	0	110	T46 G47 C48 H49 W87 P92	N44-T46 PolarHBondContact ND2-OG1 3.37Å; N44-T46 PolarHBondContact O-N 2.86Å; N44-T46 PolarHBondContact OD1-N 2.74Å; N44-T46 PolarHBondContact OD1-OG1 3.35Å; N44-T46 VanDerWaalsContact OD1-OG1 3.09Å; N44-G47 PolarHBondContact O-N 2.71Å; N44-G47 VanDerWaalsContact O-N 3.16Å; N44-G47 PolarHBondContact OD1-N 3Å; N44-C48 PolarHBondContact OD1-N 3.16Å; N44-C48 VanDerWaalsContact OD1-N 3.17Å; N44-H49 HydrophobicContact CB-CB 4.19Å; N44-H49 PolarHBondContact N-O 2.87Å; N44-H49 PolarHBondContact ND2-CD2 3.42Å; N44-H49 VanDerWaalsContact ND2-CD2 3.35Å; N44-H49 PolarHBondContact OD1-N 3.36Å; N44-H49 VanDerWaalsContact OD1-N 3.13Å; N44-H49 PolarHBondContact OD1-O 3.3Å; N44-W87 HydrophobicContact CB-CB 4.29Å; N44-W87 HydrophobicContact CB-CD2 3.4Å; N44-W87 VanDerWaalsContact CB-CD2 3.4Å; N44-W87 HydrophobicContact CB-CE3 3.66Å; N44-W87 HydrophobicContact CB-CG 3.7Å; N44-W87 HydrophobicContact CB-CH2 4.34Å; N44-W87 HydrophobicContact CB-CZ2 4.13Å; N44-W87 HydrophobicContact CB-CZ3 4.13Å; N44-P92 PolarHBondContact ND2-O 3.28Å
45	R	95.5	Very high	96.9	Very high	175 Å²	175	59 Å²	59	66%	0.66	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.3	-176.8	178.2	172.1	172.5	175	-1.3	114.2	G47 P89 F90	R45-G47 VanDerWaalsContact C-N 3.32Å; R45-P89 WeakPolarHBondContact CD-O 3.38Å; R45-P89 PolarHBondContact NH1-O 3.18Å; R45-F90 VanDerWaalsContact NH1-CD1 3.34Å
46	T	95.2	Very high	97.1	Very high	81 Å²	81	51.8 Å²	51.8	50%	0.497	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.6	-179	65.7	0	0	0	0	112.6	N44 C48 P92	N44-T46 PolarHBondContact ND2-OG1 3.37Å; N44-T46 PolarHBondContact O-N 2.86Å; N44-T46 PolarHBondContact OD1-N 2.74Å; N44-T46 PolarHBondContact OD1-OG1 3.35Å; N44-T46 VanDerWaalsContact OD1-OG1 3.09Å; T46-C48 PolarHBondContact O-N 2.89Å; T46-C48 WeakPolarHBondContact OG1-CB 3.43Å; T46-C48 PolarHBondContact OG1-N 3.4Å; T46-C48 PolarHBondContact OG1-SG 3.3Å; T46-C48 VanDerWaalsContact OG1-SG 3.41Å; T46-P92 HydrophobicContact CG2-CB 3.82Å; T46-P92 HydrophobicContact CG2-CG 4.38Å
47	G	94.1	Very high	97.2	Very high	31 Å²	31	50.2 Å²	50.2	32%	0.32	26%	0.258	S	S	.	.	S	Bend	trans	72.2	10.5	-171.9	0	0	0	0	0	113.7	W43 N44 R45	W43-G47 VanDerWaalsContact CZ3-O 3.28Å; W43-G47 WeakPolarHBondContact CZ3-O 3.33Å; N44-G47 PolarHBondContact O-N 2.71Å; N44-G47 VanDerWaalsContact O-N 3.16Å; N44-G47 PolarHBondContact OD1-N 3Å; R45-G47 VanDerWaalsContact C-N 3.32Å
48	C	95.2	Very high	97.2	Very high	61 Å²	61	43.6 Å²	43.6	41%	0.412	23%	0.227	S	C	.	.	S	Bend	trans	-96.8	-20.2	-178.9	-53.1	0	0	0	0	112.6	N44 T46 N63 F64	N44-C48 PolarHBondContact OD1-N 3.16Å; N44-C48 VanDerWaalsContact OD1-N 3.17Å; T46-C48 PolarHBondContact O-N 2.89Å; T46-C48 WeakPolarHBondContact OG1-CB 3.43Å; T46-C48 PolarHBondContact OG1-N 3.4Å; T46-C48 PolarHBondContact OG1-SG 3.3Å; T46-C48 VanDerWaalsContact OG1-SG 3.41Å; C48-N63 CarbonylContact O-C 3.55Å; C48-N63 WeakPolarHBondContact O-CA 3.26Å; C48-F64 PolarHBondContact O-N 2.92Å
49	H	96.4	Very high	97.3	Very high	30 Å²	30	39.7 Å²	39.7	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.5	176.6	-60.4	-60.9	0	0	0	111.2	W43 N44 V61 F62 N63 W87	W43-H49 WeakPolarHBondContact CA-O 3.45Å; N44-H49 HydrophobicContact CB-CB 4.19Å; N44-H49 PolarHBondContact N-O 2.87Å; N44-H49 PolarHBondContact ND2-CD2 3.42Å; N44-H49 VanDerWaalsContact ND2-CD2 3.35Å; N44-H49 PolarHBondContact OD1-N 3.36Å; N44-H49 VanDerWaalsContact OD1-N 3.13Å; N44-H49 PolarHBondContact OD1-O 3.3Å; H49-V61 HydrophobicContact CB-CG1 4.38Å; H49-F62 VanDerWaalsContact CA-O 3.29Å; H49-F62 WeakPolarHBondContact CA-O 3.45Å; H49-N63 PolarHBondContact CE1-OD1 2.98Å; H49-N63 PolarHBondContact ND1-OD1 2.98Å; H49-W87 HydrophobicContact CB-CH2 3.53Å; H49-W87 HydrophobicContact CB-CZ2 3.66Å; H49-W87 HydrophobicContact CB-CZ3 4.38Å
50	L	97.4	Very high	97.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.6	173	-176.8	62.4	0	0	0	108	M41 R42 W43 V61 F62 L69	M41-L50 HydrophobicContact CE-CD2 4.08Å; M41-L50 HydrophobicContact CG-CD1 3.39Å; M41-L50 HydrophobicContact CG-CD2 4.13Å; M41-L50 HydrophobicContact CG-CG 3.86Å; M41-L50 HydrophobicContact SD-CD1 4Å; M41-L50 HydrophobicContact SD-CD2 3.73Å; M41-L50 HydrophobicContact SD-CG 4.15Å; R42-L50 VanDerWaalsContact C-CD1 3.47Å; R42-L50 WeakPolarHBondContact O-CD1 3.25Å; W43-L50 HydrophobicContact CD2-CB 4.31Å; W43-L50 HydrophobicContact CD2-CD1 3.76Å; W43-L50 HydrophobicContact CE3-CB 3.97Å; W43-L50 HydrophobicContact CE3-CD1 4.28Å; W43-L50 HydrophobicContact CG-CD1 3.93Å; W43-L50 HydrophobicContact CH2-CB 4.12Å; W43-L50 HydrophobicContact CH2-CD2 4.28Å; W43-L50 HydrophobicContact CZ2-CB 4.43Å; W43-L50 HydrophobicContact CZ2-CD1 4.25Å; W43-L50 HydrophobicContact CZ2-CD2 4.01Å; W43-L50 HydrophobicContact CZ2-CG 4.48Å; W43-L50 HydrophobicContact CZ3-CB 3.88Å; L50-V61 CarbonylContact O-C 3.59Å; L50-V61 WeakPolarHBondContact O-CA 3.26Å; L50-F62 HydrophobicContact CB-CB 4.35Å; L50-F62 PolarHBondContact N-O 3.21Å; L50-F62 PolarHBondContact O-N 2.9Å; L50-L69 HydrophobicContact CB-CD2 4.09Å; L50-L69 HydrophobicContact CD2-CD1 3.66Å; L50-L69 HydrophobicContact CD2-CD2 3.67Å; L50-L69 HydrophobicContact CD2-CG 4.34Å
51	A	98.2	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.3	172.5	0	0	0	0	0	109.6	M41 R42 K60 V61 L85 W87 V95	M41-A51 CarbonylContact C-O 3.57Å; M41-A51 VanDerWaalsContact CA-O 3.27Å; M41-A51 WeakPolarHBondContact CA-O 3.16Å; R42-A51 PolarHBondContact N-O 2.94Å; R42-A51 PolarHBondContact O-N 2.82Å; A51-K60 CarbonylContact C-O 3.56Å; A51-K60 WeakPolarHBondContact CA-O 3.26Å; A51-V61 HydrophobicContact CB-CG2 4.46Å; A51-L85 HydrophobicContact CB-CD1 3.7Å; A51-L85 HydrophobicContact CB-CD2 4.21Å; A51-W87 HydrophobicContact CB-CZ2 3.62Å; A51-V95 HydrophobicContact CB-CG2 4.21Å
52	A	98.4	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.6	-179.3	0	0	0	0	0	109.6	L38 S40 M41 F54 V59 K60 F62	L38-A52 HydrophobicContact CD1-CB 3.59Å; S40-A52 CarbonylContact O-C 3.54Å; S40-A52 WeakPolarHBondContact O-CA 3.41Å; M41-A52 HydrophobicContact CE-CB 4.18Å; A52-F54 HydrophobicContact CB-CE2 3.72Å; A52-F54 HydrophobicContact CB-CZ 3.86Å; A52-V59 CarbonylContact O-C 3.51Å; A52-V59 VanDerWaalsContact O-CA 3.26Å; A52-V59 WeakPolarHBondContact O-CA 3.42Å; A52-K60 PolarHBondContact N-O 2.94Å; A52-K60 PolarHBondContact O-N 2.96Å; A52-F62 HydrophobicContact CB-CE2 3.9Å
53	G	98.3	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.5	176.1	0	0	0	0	0	110.7	V39 S40 L85	V39-G53 PolarHBondContact N-O 2.83Å; S40-G53 PolarHBondContact N-O 2.85Å; S40-G53 PolarHBondContact O-N 2.96Å; G53-L85 VanDerWaalsContact N-CD2 3.31Å
54	F	98.6	Very high	97.1	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	159.2	-171.2	-63.1	-89.3	0	0	0	113	V33 D34 S36 E37 L38 A52 S56 G57 V58 K60 V82	V33-F54 HydrophobicContact CB-CZ 4.45Å; V33-F54 HydrophobicContact CG2-CE1 3.94Å; V33-F54 HydrophobicContact CG2-CZ 3.78Å; D34-F54 HydrophobicContact CB-CD1 3.63Å; D34-F54 HydrophobicContact CB-CE1 3.32Å; D34-F54 HydrophobicContact CB-CE2 4.28Å; D34-F54 HydrophobicContact CB-CG 4.23Å; D34-F54 HydrophobicContact CB-CZ 3.69Å; S36-F54 WeakPolarHBondContact O-CD1 3.29Å; E37-F54 CarbonylContact O-C 3.59Å; E37-F54 VanDerWaalsContact O-CA 3.23Å; E37-F54 WeakPolarHBondContact O-CA 3.14Å; L38-F54 HydrophobicContact CB-CD1 4.21Å; L38-F54 HydrophobicContact CB-CE1 3.95Å; L38-F54 HydrophobicContact CD1-CD1 4.29Å; L38-F54 HydrophobicContact CD1-CE1 3.82Å; L38-F54 HydrophobicContact CD1-CE2 4.49Å; L38-F54 HydrophobicContact CD1-CZ 3.93Å; L38-F54 HydrophobicContact CG-CE1 4.5Å; A52-F54 HydrophobicContact CB-CE2 3.72Å; A52-F54 HydrophobicContact CB-CZ 3.86Å; F54-S56 PolarHBondContact O-N 3.33Å; F54-G57 PolarHBondContact O-N 3.37Å; F54-V58 HydrophobicContact CD2-CB 4.5Å; F54-V58 WeakPolarHBondContact CD2-O 3.32Å; F54-V58 PolarHBondContact N-O 3.23Å; F54-K60 HydrophobicContact CE2-CB 3.94Å; F54-K60 HydrophobicContact CE2-CD 3.93Å; F54-K60 HydrophobicContact CE2-CG 3.92Å; F54-K60 HydrophobicContact CZ-CD 4.26Å; F54-V82 PolarHBondContact O-N 3.2Å; F54-V82 VanDerWaalsContact O-N 3.11Å
55	S	98.3	Very high	96.6	Very high	40 Å²	40	33.2 Å²	33.2	28%	0.28	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.4	178.4	63.7	0	0	0	0	113.8	E37 G57 N81	E37-S55 PolarHBondContact N-OG 3.16Å; E37-S55 PolarHBondContact O-N 3.22Å; S55-G57 VanDerWaalsContact C-N 3.28Å; S55-G57 PolarHBondContact O-N 3.09Å; S55-N81 VanDerWaalsContact O-CA 3.26Å; S55-N81 WeakPolarHBondContact O-CA 3.36Å; S55-N81 PolarHBondContact O-N 3.05Å
56	S	98	Very high	96	Very high	54 Å²	54	33.7 Å²	33.7	38%	0.378	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.6	174.9	57.4	0	0	0	0	114.9	S36 F54 V58	S36-S56 WeakPolarHBondContact CB-OG 3.36Å; S36-S56 WeakPolarHBondContact OG-CB 3.43Å; S36-S56 PolarHBondContact OG-OG 3Å; F54-S56 PolarHBondContact O-N 3.33Å; S56-V58 VanDerWaalsContact C-N 3.32Å
57	G	98	Very high	95.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	85.2	3.2	-174.5	0	0	0	0	0	114.2	F54 S55 H78 R80	F54-G57 PolarHBondContact O-N 3.37Å; S55-G57 VanDerWaalsContact C-N 3.28Å; S55-G57 PolarHBondContact O-N 3.09Å; G57-H78 WeakPolarHBondContact O-CB 3.24Å; G57-R80 VanDerWaalsContact CA-O 3.23Å; G57-R80 WeakPolarHBondContact CA-O 3.33Å
58	V	98	Very high	95	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.036	23%	0.227	C	C	.	.			trans	-79.9	144.5	173.2	179.2	0	0	0	0	110	F54 S56 K60 T74 R76	F54-V58 HydrophobicContact CD2-CB 4.5Å; F54-V58 WeakPolarHBondContact CD2-O 3.32Å; F54-V58 PolarHBondContact N-O 3.23Å; S56-V58 VanDerWaalsContact C-N 3.32Å; V58-K60 HydrophobicContact CG1-CG 4.13Å; V58-T74 HydrophobicContact CG1-CG2 3.72Å; V58-R76 HydrophobicContact CG2-CG 4.35Å
59	V	98.4	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.5	166.8	178.6	0	0	0	0	108	A52 C75 V82 T97 W114	A52-V59 CarbonylContact O-C 3.51Å; A52-V59 VanDerWaalsContact O-CA 3.26Å; A52-V59 WeakPolarHBondContact O-CA 3.42Å; V59-C75 HydrophobicContact CB-CB 4.33Å; V59-C75 PolarHBondContact N-O 2.82Å; V59-C75 PolarHBondContact O-N 3.45Å; V59-V82 HydrophobicContact CG2-CB 4.49Å; V59-V82 HydrophobicContact CG2-CG1 4.07Å; V59-V82 HydrophobicContact CG2-CG2 3.82Å; V59-T97 HydrophobicContact CG1-CG2 4.23Å; V59-T97 HydrophobicContact CG2-CG2 3.91Å; V59-W114 HydrophobicContact CB-CH2 3.98Å; V59-W114 HydrophobicContact CG2-CH2 3.92Å
60	K	98	Very high	94.8	Very high	26 Å²	26	47 Å²	47	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.4	173.2	-68.5	177.7	163.7	167.8	0	110.1	V33 D34 A51 A52 F54 V58 F62 L71 E73 T74	V33-K60 WeakPolarHBondContact O-CD 3.06Å; V33-K60 PolarHBondContact O-NZ 3.26Å; D34-K60 VanDerWaalsContact OD2-CE 3.28Å; D34-K60 WeakPolarHBondContact OD2-CE 3.28Å; D34-K60 IonicContact OD2-NZ 2.68Å; D34-K60 PolarHBondContact OD2-NZ 3.35Å; A51-K60 CarbonylContact C-O 3.56Å; A51-K60 WeakPolarHBondContact CA-O 3.26Å; A52-K60 PolarHBondContact N-O 2.94Å; A52-K60 PolarHBondContact O-N 2.96Å; F54-K60 HydrophobicContact CE2-CB 3.94Å; F54-K60 HydrophobicContact CE2-CD 3.93Å; F54-K60 HydrophobicContact CE2-CG 3.92Å; F54-K60 HydrophobicContact CZ-CD 4.26Å; V58-K60 HydrophobicContact CG1-CG 4.13Å; K60-F62 HydrophobicContact CB-CE2 3.64Å; K60-F62 HydrophobicContact CB-CZ 3.72Å; K60-F62 HydrophobicContact CD-CZ 4.21Å; K60-L71 HydrophobicContact CB-CD1 3.95Å; K60-L71 HydrophobicContact CD-CD1 4.07Å; K60-L71 HydrophobicContact CG-CD1 4.08Å; K60-E73 CarbonylContact C-O 3.55Å; K60-E73 WeakPolarHBondContact CA-O 3.41Å; K60-T74 HydrophobicContact CG-CG2 4.24Å
61	V	98	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.5	171.5	-178.1	0	0	0	0	108.2	H49 L50 A51 F72 E73 W87 L107 T109	H49-V61 HydrophobicContact CB-CG1 4.38Å; L50-V61 CarbonylContact O-C 3.59Å; L50-V61 WeakPolarHBondContact O-CA 3.26Å; A51-V61 HydrophobicContact CB-CG2 4.46Å; V61-F72 HydrophobicContact CB-CD1 4.39Å; V61-F72 HydrophobicContact CG1-CD1 4.09Å; V61-F72 WeakPolarHBondContact O-CA 3.23Å; V61-F72 WeakPolarHBondContact O-CB 3.35Å; V61-F72 PolarHBondContact O-N 2.76Å; V61-E73 HydrophobicContact CB-CB 4.27Å; V61-E73 PolarHBondContact N-O 2.81Å; V61-E73 PolarHBondContact O-N 2.72Å; V61-W87 HydrophobicContact CG1-CH2 4.08Å; V61-W87 HydrophobicContact CG1-CZ2 4.31Å; V61-L107 HydrophobicContact CG2-CD2 3.68Å; V61-T109 HydrophobicContact CG1-CG2 4.09Å; V61-T109 HydrophobicContact CG2-CG2 4.15Å
62	F	97.1	Very high	94.6	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.2	178.1	-55.2	-94.3	0	0	0	109.6	V33 H49 L50 A52 K60 L69 M70 L71	V33-F62 HydrophobicContact CB-CE1 4.27Å; V33-F62 HydrophobicContact CB-CZ 3.8Å; V33-F62 HydrophobicContact CG1-CE1 3.8Å; V33-F62 HydrophobicContact CG1-CZ 3.68Å; H49-F62 VanDerWaalsContact CA-O 3.29Å; H49-F62 WeakPolarHBondContact CA-O 3.45Å; L50-F62 HydrophobicContact CB-CB 4.35Å; L50-F62 PolarHBondContact N-O 3.21Å; L50-F62 PolarHBondContact O-N 2.9Å; A52-F62 HydrophobicContact CB-CE2 3.9Å; K60-F62 HydrophobicContact CB-CE2 3.64Å; K60-F62 HydrophobicContact CB-CZ 3.72Å; K60-F62 HydrophobicContact CD-CZ 4.21Å; F62-L69 HydrophobicContact CB-CB 4.29Å; F62-L69 HydrophobicContact CB-CD2 3.88Å; F62-L69 HydrophobicContact CD1-CB 4.37Å; F62-M70 CarbonylContact C-O 3.49Å; F62-M70 WeakPolarHBondContact CA-O 3.47Å; F62-L71 HydrophobicContact CD1-CB 4.23Å; F62-L71 HydrophobicContact CD1-CD1 4.23Å; F62-L71 HydrophobicContact CE1-CB 4.15Å; F62-L71 HydrophobicContact CE1-CD1 3.77Å; F62-L71 HydrophobicContact CZ-CD1 4.08Å
63	N	95.6	Very high	94.4	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	138.4	163.1	-69.4	-10.9	0	0	0	108.8	C48 H49 L69 M70 F72	C48-N63 CarbonylContact O-C 3.55Å; C48-N63 WeakPolarHBondContact O-CA 3.26Å; H49-N63 PolarHBondContact CE1-OD1 2.98Å; H49-N63 PolarHBondContact ND1-OD1 2.98Å; N63-L69 WeakPolarHBondContact O-CA 3.45Å; N63-M70 PolarHBondContact N-O 2.79Å; N63-M70 PolarHBondContact O-N 3.45Å; N63-F72 WeakPolarHBondContact ND2-CD2 3.42Å; N63-F72 WeakPolarHBondContact OD1-CG 3.27Å
64	F	93.9	Very high	94.4	Very high	89 Å²	89	58.5 Å²	58.5	39%	0.39	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.4	171.7	-174.5	-108	0	0	0	109.9	W43 C48 K68 L69	W43-F64 HydrophobicContact CH2-CB 3.54Å; W43-F64 HydrophobicContact CH2-CD1 4.07Å; W43-F64 AromaticContact CH2-CD2 3.74Å; W43-F64 HydrophobicContact CH2-CD2 3.74Å; W43-F64 HydrophobicContact CH2-CE2 4.44Å; W43-F64 AromaticContact CH2-CG 3.51Å; W43-F64 HydrophobicContact CH2-CG 3.51Å; W43-F64 HydrophobicContact CZ3-CB 3.45Å; W43-F64 VanDerWaalsContact CZ3-CB 3.45Å; W43-F64 HydrophobicContact CZ3-CD1 4.29Å; W43-F64 AromaticContact CZ3-CG 3.86Å; W43-F64 HydrophobicContact CZ3-CG 3.86Å; C48-F64 PolarHBondContact O-N 2.92Å; F64-K68 WeakPolarHBondContact CA-O 3.34Å; F64-K68 WeakPolarHBondContact CD2-O 3.39Å; F64-L69 HydrophobicContact CB-CD2 4.12Å; F64-L69 HydrophobicContact CD2-CD2 3.87Å; F64-L69 HydrophobicContact CD2-CG 4.21Å; F64-L69 HydrophobicContact CG-CD2 4.45Å
65	G	87.4	Confident	94.3	Very high	38 Å²	38	58.7 Å²	58.7	39%	0.392	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.3	178.2	0	0	0	0	0	109.1	Q67 K68	G65-Q67 PolarHBondContact O-N 3.33Å; G65-K68 PolarHBondContact N-O 3.03Å; G65-K68 VanDerWaalsContact N-O 3.15Å; G65-K68 PolarHBondContact O-N 3.07Å; G65-K68 VanDerWaalsContact O-O 3.07Å
66	E	83.8	Confident	94.3	Very high	184 Å²	184	65.1 Å²	65.1	86%	0.86	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.9	178.4	-57	179.8	-174.8	0	0	113.7	K68	E66-K68 PolarHBondContact O-N 2.9Å
67	Q	81	Confident	94.2	Very high	178 Å²	178	64 Å²	64	83%	0.832	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	22.9	-176.5	-53.5	-174.8	-13.9	0	0	114.8	G65	G65-Q67 PolarHBondContact O-N 3.33Å
68	K	88	Confident	94.2	Very high	134 Å²	134	64.3 Å²	64.3	58%	0.583	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.4	179.7	-66	177.2	-175.7	175.2	0	111.3	F64 G65 E66	F64-K68 WeakPolarHBondContact CA-O 3.34Å; F64-K68 WeakPolarHBondContact CD2-O 3.39Å; G65-K68 PolarHBondContact N-O 3.03Å; G65-K68 VanDerWaalsContact N-O 3.15Å; G65-K68 PolarHBondContact O-N 3.07Å; G65-K68 VanDerWaalsContact O-O 3.07Å; E66-K68 PolarHBondContact O-N 2.9Å
69	L	92.6	Very high	94.2	Very high	51 Å²	51	71 Å²	71	27%	0.267	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.7	168.4	-70.6	170.5	0	0	0	108.7	L31 W43 L50 F62 N63 F64	L31-L69 HydrophobicContact CD2-CB 3.96Å; L31-L69 HydrophobicContact CD2-CD1 4.42Å; W43-L69 HydrophobicContact CH2-CD2 3.8Å; W43-L69 HydrophobicContact CZ2-CD2 4.47Å; W43-L69 HydrophobicContact CZ3-CD2 4.5Å; L50-L69 HydrophobicContact CB-CD2 4.09Å; L50-L69 HydrophobicContact CD2-CD1 3.66Å; L50-L69 HydrophobicContact CD2-CD2 3.67Å; L50-L69 HydrophobicContact CD2-CG 4.34Å; F62-L69 HydrophobicContact CB-CB 4.29Å; F62-L69 HydrophobicContact CB-CD2 3.88Å; F62-L69 HydrophobicContact CD1-CB 4.37Å; N63-L69 WeakPolarHBondContact O-CA 3.45Å; F64-L69 HydrophobicContact CB-CD2 4.12Å; F64-L69 HydrophobicContact CD2-CD2 3.87Å; F64-L69 HydrophobicContact CD2-CG 4.21Å; F64-L69 HydrophobicContact CG-CD2 4.45Å
70	M	93.8	Very high	94.2	Very high	121 Å²	121	76.2 Å²	76.2	60%	0.596	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	175.5	-62.3	-62.4	-68.3	0	0	108.2	F62 N63 F72	F62-M70 CarbonylContact C-O 3.49Å; F62-M70 WeakPolarHBondContact CA-O 3.47Å; N63-M70 PolarHBondContact N-O 2.79Å; N63-M70 PolarHBondContact O-N 3.45Å; M70-F72 PolarHBondContact O-N 3.27Å; M70-F72 VanDerWaalsContact O-N 3.12Å
71	L	95.4	Very high	94.3	Very high	96 Å²	96	76.9 Å²	76.9	50%	0.503	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	120.1	176	-179.8	64.9	0	0	0	109	K60 F62	K60-L71 HydrophobicContact CB-CD1 3.95Å; K60-L71 HydrophobicContact CD-CD1 4.07Å; K60-L71 HydrophobicContact CG-CD1 4.08Å; F62-L71 HydrophobicContact CD1-CB 4.23Å; F62-L71 HydrophobicContact CD1-CD1 4.23Å; F62-L71 HydrophobicContact CE1-CB 4.15Å; F62-L71 HydrophobicContact CE1-CD1 3.77Å; F62-L71 HydrophobicContact CZ-CD1 4.08Å
72	F	95.5	Very high	94.3	Very high	68 Å²	68	76.9 Å²	76.9	30%	0.298	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-44.8	179.9	174.2	-108	0	0	0	111	V61 N63 M70 T109 Q112	V61-F72 HydrophobicContact CB-CD1 4.39Å; V61-F72 HydrophobicContact CG1-CD1 4.09Å; V61-F72 WeakPolarHBondContact O-CA 3.23Å; V61-F72 WeakPolarHBondContact O-CB 3.35Å; V61-F72 PolarHBondContact O-N 2.76Å; N63-F72 WeakPolarHBondContact ND2-CD2 3.42Å; N63-F72 WeakPolarHBondContact OD1-CG 3.27Å; M70-F72 PolarHBondContact O-N 3.27Å; M70-F72 VanDerWaalsContact O-N 3.12Å; F72-T109 WeakPolarHBondContact CE1-O 3.37Å; F72-Q112 HydrophobicContact CZ-CG 4.47Å
73	E	95.5	Very high	94.3	Very high	22 Å²	22	77.7 Å²	77.7	10%	0.103	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	142.7	-176.6	-159.1	-179.1	154.7	0	0	111.3	K60 V61 C75 Q112	K60-E73 CarbonylContact C-O 3.55Å; K60-E73 WeakPolarHBondContact CA-O 3.41Å; V61-E73 HydrophobicContact CB-CB 4.27Å; V61-E73 PolarHBondContact N-O 2.81Å; V61-E73 PolarHBondContact O-N 2.72Å; E73-C75 VanDerWaalsContact CG-SG 3.58Å; E73-C75 PolarHBondContact OE1-SG 3.49Å; E73-Q112 VanDerWaalsContact OE1-CA 3.26Å; E73-Q112 WeakPolarHBondContact OE1-CA 3.47Å; E73-Q112 WeakPolarHBondContact OE2-CA 3.43Å
74	T	96.8	Very high	94.5	Very high	57 Å²	57	75.6 Å²	75.6	35%	0.35	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.2	167.7	-62.2	0	0	0	0	108.7	V58 K60	V58-T74 HydrophobicContact CG1-CG2 3.72Å; K60-T74 HydrophobicContact CG-CG2 4.24Å
75	C	97.6	Very high	94.7	Very high	6 Å²	6	71.3 Å²	71.3	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.5	-175.4	-43.8	0	0	0	0	109.1	V59 E73 L107 W114	V59-C75 HydrophobicContact CB-CB 4.33Å; V59-C75 PolarHBondContact N-O 2.82Å; V59-C75 PolarHBondContact O-N 3.45Å; E73-C75 VanDerWaalsContact CG-SG 3.58Å; E73-C75 PolarHBondContact OE1-SG 3.49Å; C75-L107 WeakPolarHBondContact SG-CD2 3.42Å; C75-W114 HydrophobicContact CB-CH2 3.79Å; C75-W114 HydrophobicContact CB-CZ2 3.28Å
76	R	97.3	Very high	95.2	Very high	175 Å²	175	72.1 Å²	72.1	66%	0.66	35%	0.345	S	S	*	.			trans	-103.1	151.4	177	-60.5	-178.1	178.2	-88	0.6	110.1	V58 W114	V58-R76 HydrophobicContact CG2-CG 4.35Å; R76-W114 PolarHBondContact O-NE1 2.86Å
77	G	96.4	Very high	95.9	Very high	29 Å²	29	64.3 Å²	64.3	30%	0.299	31%	0.308	S	S	.	.			trans	156.5	-33.1	171.9	0	0	0	0	0	114.3	R105	G77-R105 PolarHBondContact O-NH1 3.17Å; G77-R105 PolarHBondContact O-NH2 3.26Å
78	H	98.4	Very high	96.7	Very high	9 Å²	9	56.6 Å²	56.6	4%	0.042	27%	0.272	C	S	.	.			trans	-65.3	140.4	169.3	-72.2	-72.9	0	0	0	109.9	G57 V82 T97 S99 D101 T103 R105	G57-H78 WeakPolarHBondContact O-CB 3.24Å; H78-V82 HydrophobicContact CB-CG2 4.26Å; H78-T97 PolarHBondContact NE2-OG1 2.9Å; H78-S99 WeakPolarHBondContact ND1-CB 3.26Å; H78-D101 WeakPolarHBondContact CA-OD2 3.39Å; H78-D101 IonicContact CG-OD2 3.1Å; H78-D101 IonicContact ND1-OD1 2.72Å; H78-D101 PolarHBondContact ND1-OD1 3.46Å; H78-D101 IonicContact ND1-OD2 3.34Å; H78-D101 PolarHBondContact ND1-OD2 3.13Å; H78-D101 VanDerWaalsContact ND1-OD2 3.1Å; H78-T103 PolarHBondContact CE1-OG1 2.83Å; H78-T103 VanDerWaalsContact CE1-OG1 3.32Å; H78-T103 PolarHBondContact ND1-OG1 2.82Å; H78-T103 VanDerWaalsContact ND1-OG1 3.13Å; H78-R105 VanDerWaalsContact CA-NH1 3.31Å; H78-R105 PolarHBondContact CE1-NH1 2.94Å; H78-R105 VanDerWaalsContact CG-NH1 3.34Å; H78-R105 PolarHBondContact ND1-NH1 2.84Å
79	L	98.3	Very high	97.2	Very high	145 Å²	145	51.7 Å²	51.7	76%	0.759	25%	0.254	S	S	*	.	S	Bend	trans	-96.7	-7	-175.7	-56.5	-178.9	0	0	0	112.4	D101	L79-D101 HydrophobicContact CB-CB 4.07Å; L79-D101 PolarHBondContact N-OD2 3.03Å
80	R	98.5	Very high	97.4	Very high	111 Å²	111	54.5 Å²	54.5	42%	0.419	26%	0.264	S	S	.	.	S	Bend	trans	-147.6	174.8	178.7	-62.4	-178.2	66.9	-164.9	5.6	109.3	G57 V82 S99 L100 D101 E123	G57-R80 VanDerWaalsContact CA-O 3.23Å; G57-R80 WeakPolarHBondContact CA-O 3.33Å; R80-V82 PolarHBondContact O-N 3.13Å; R80-S99 PolarHBondContact O-OG 3.2Å; R80-L100 HydrophobicContact CB-CB 4.07Å; R80-L100 PolarHBondContact NH1-O 3.18Å; R80-D101 HydrophobicContact CB-CB 4.11Å; R80-D101 HydrophobicContact CG-CB 4.24Å; R80-E123 IonicContact CZ-OE1 3.18Å; R80-E123 IonicContact NH1-OE1 3.47Å; R80-E123 PolarHBondContact NH1-OE1 3.17Å; R80-E123 IonicContact NH1-OE2 3.52Å; R80-E123 IonicContact NH2-OE1 3.68Å; R80-E123 PolarHBondContact NH2-OE1 3.41Å
81	N	98.2	Very high	97.5	Very high	40 Å²	40	53.9 Å²	53.9	21%	0.214	26%	0.259	C	S	.	.			trans	-37	126.9	179	-172.3	-5.3	0	0	0	114.1	V39 S55 S83 S99 L100	V39-N81 WeakPolarHBondContact CG2-OD1 3.28Å; S55-N81 VanDerWaalsContact O-CA 3.26Å; S55-N81 WeakPolarHBondContact O-CA 3.36Å; S55-N81 PolarHBondContact O-N 3.05Å; N81-S83 PolarHBondContact O-N 3.36Å; N81-S99 WeakPolarHBondContact O-CA 3.08Å; N81-S99 VanDerWaalsContact O-CB 3.25Å; N81-S99 WeakPolarHBondContact O-CB 3.42Å; N81-S99 PolarHBondContact O-OG 3.11Å; N81-L100 HydrophobicContact CB-CD1 3.96Å; N81-L100 HydrophobicContact CB-CG 4.2Å; N81-L100 PolarHBondContact O-N 3.38Å; N81-L100 VanDerWaalsContact O-N 3.13Å
82	V	98.6	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.			trans	-78.8	89.3	168.2	-172.9	0	0	0	0	108.9	F54 V59 H78 R80 D84 T97 C98	F54-V82 PolarHBondContact O-N 3.2Å; F54-V82 VanDerWaalsContact O-N 3.11Å; V59-V82 HydrophobicContact CG2-CB 4.49Å; V59-V82 HydrophobicContact CG2-CG1 4.07Å; V59-V82 HydrophobicContact CG2-CG2 3.82Å; H78-V82 HydrophobicContact CB-CG2 4.26Å; R80-V82 PolarHBondContact O-N 3.13Å; V82-D84 VanDerWaalsContact C-N 3.34Å; V82-D84 PolarHBondContact O-N 2.88Å; V82-T97 HydrophobicContact CG1-CG2 4.47Å; V82-C98 CarbonylContact C-O 3.52Å; V82-C98 WeakPolarHBondContact CA-O 3.37Å
83	S	98.3	Very high	97.7	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	24%	0.243	C	C	.	.			trans	-60.5	-38.8	-172.6	-48.3	0	0	0	0	113.5	N81 C98 L100 N124	N81-S83 PolarHBondContact O-N 3.36Å; S83-C98 PolarHBondContact N-O 3.07Å; S83-L100 WeakPolarHBondContact OG-CD2 3.37Å; S83-N124 WeakPolarHBondContact CB-O 3.25Å; S83-N124 PolarHBondContact OG-O 3.25Å
84	D	98.5	Very high	97.8	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.059	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	162.6	176.2	-163.6	20.4	0	0	0	111.3	S40 R42 V82 C98 V127	S40-D84 PolarHBondContact OG-OD1 3Å; R42-D84 IonicContact NH2-OD1 3.69Å; V82-D84 VanDerWaalsContact C-N 3.34Å; V82-D84 PolarHBondContact O-N 2.88Å; D84-C98 PolarHBondContact O-N 2.83Å; D84-V127 HydrophobicContact CB-CG1 4.14Å; D84-V127 PolarHBondContact OD2-N 2.83Å
85	L	98.5	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.5	175.2	65.3	87.9	0	0	0	111.2	R42 A51 G53 V95 A96 T97	R42-L85 HydrophobicContact CB-CD1 3.62Å; R42-L85 HydrophobicContact CG-CD1 3.58Å; R42-L85 HydrophobicContact CG-CG 4.38Å; R42-L85 WeakPolarHBondContact CG-O 3.23Å; A51-L85 HydrophobicContact CB-CD1 3.7Å; A51-L85 HydrophobicContact CB-CD2 4.21Å; G53-L85 VanDerWaalsContact N-CD2 3.31Å; L85-V95 HydrophobicContact CB-CG2 4.34Å; L85-V95 HydrophobicContact CD1-CG2 4.07Å; L85-A96 CarbonylContact C-O 3.58Å; L85-A96 WeakPolarHBondContact CA-O 3.26Å; L85-T97 HydrophobicContact CB-CG2 3.79Å
86	R	98.4	Very high	97.9	Very high	55 Å²	55	46.9 Å²	46.9	21%	0.208	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	127.9	176.5	-72.5	-63.4	-176.2	169.1	-1.5	112.5	A96 V127 N128 W129	R86-A96 PolarHBondContact N-O 3.43Å; R86-A96 PolarHBondContact O-N 2.98Å; R86-V127 HydrophobicContact CG-CG1 4.41Å; R86-V127 WeakPolarHBondContact CG-O 3.43Å; R86-N128 PolarHBondContact NE-OD1 3.12Å; R86-W129 PolarHBondContact O-NE1 2.9Å
87	W	98.6	Very high	98	Very high	19 Å²	19	38.5 Å²	38.5	7%	0.072	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.5	167.4	-66.4	93	0	0	0	111.1	R42 W43 N44 H49 A51 V61 P92 I94 V95 T109	R42-W87 PolarHBondContact O-NE1 2.89Å; W43-W87 VanDerWaalsContact C-CD1 3.42Å; W43-W87 VanDerWaalsContact O-CD1 3.27Å; N44-W87 HydrophobicContact CB-CB 4.29Å; N44-W87 HydrophobicContact CB-CD2 3.4Å; N44-W87 VanDerWaalsContact CB-CD2 3.4Å; N44-W87 HydrophobicContact CB-CE3 3.66Å; N44-W87 HydrophobicContact CB-CG 3.7Å; N44-W87 HydrophobicContact CB-CH2 4.34Å; N44-W87 HydrophobicContact CB-CZ2 4.13Å; N44-W87 HydrophobicContact CB-CZ3 4.13Å; H49-W87 HydrophobicContact CB-CH2 3.53Å; H49-W87 HydrophobicContact CB-CZ2 3.66Å; H49-W87 HydrophobicContact CB-CZ3 4.38Å; A51-W87 HydrophobicContact CB-CZ2 3.62Å; V61-W87 HydrophobicContact CG1-CH2 4.08Å; V61-W87 HydrophobicContact CG1-CZ2 4.31Å; W87-P92 VanDerWaalsContact CE3-O 3.31Å; W87-P92 WeakPolarHBondContact CZ3-O 3.37Å; W87-I94 CarbonylContact C-O 3.58Å; W87-I94 WeakPolarHBondContact CA-O 3.22Å; W87-V95 HydrophobicContact CD2-CB 3.87Å; W87-V95 HydrophobicContact CD2-CG2 4.23Å; W87-V95 HydrophobicContact CE3-CB 3.85Å; W87-V95 HydrophobicContact CG-CB 4.35Å; W87-V95 HydrophobicContact CG-CG2 4.35Å; W87-V95 HydrophobicContact CZ3-CB 4.22Å; W87-V95 HydrophobicContact CZ3-CG1 4.43Å; W87-T109 HydrophobicContact CH2-CG2 3.83Å; W87-T109 HydrophobicContact CZ3-CG2 4Å
88	H	98.2	Very high	98.1	Very high	16 Å²	16	37.1 Å²	37.1	7%	0.074	18%	0.18	C	C	.	.			trans	-63.4	138	173.6	-173.1	-85.7	0	0	0	110.5	F90 H91 I94 W129 G133	H88-F90 PolarHBondContact ND1-N 3.25Å; H88-F90 VanDerWaalsContact ND1-N 3.18Å; H88-F90 PolarHBondContact O-N 3.15Å; H88-F90 VanDerWaalsContact O-N 3.15Å; H88-H91 HydrophobicContact CB-CB 4.06Å; H88-H91 AromaticContact CE1-CD2 3.2Å; H88-H91 PolarHBondContact CE1-CD2 3.24Å; H88-H91 AromaticContact CE1-CG 3.97Å; H88-H91 AromaticContact CE1-NE2 3.89Å; H88-H91 AromaticContact CG-CD2 3.92Å; H88-H91 AromaticContact ND1-CD2 3.25Å; H88-H91 PolarHBondContact ND1-CD2 3.09Å; H88-H91 VanDerWaalsContact ND1-CD2 3.25Å; H88-H91 AromaticContact ND1-CG 3.59Å; H88-H91 PolarHBondContact ND1-N 2.81Å; H88-H91 AromaticContact NE2-CD2 3.79Å; H88-I94 HydrophobicContact CB-CB 3.83Å; H88-I94 HydrophobicContact CB-CG2 4.08Å; H88-I94 PolarHBondContact N-O 3.32Å; H88-W129 HydrophobicContact CB-CZ2 4.39Å; H88-W129 AromaticContact CD2-CE3 3.86Å; H88-W129 AromaticContact CD2-CH2 3.9Å; H88-W129 AromaticContact CD2-CZ3 3.8Å; H88-G133 WeakPolarHBondContact NE2-CA 3.33Å; H88-G133 PolarHBondContact NE2-O 3.5Å; H88-G133 VanDerWaalsContact NE2-O 3.12Å
89	P	97	Very high	98.1	Very high	32 Å²	32	36.7 Å²	36.7	21%	0.208	18%	0.178	C	C	.	.	S	Bend	trans	-64.4	-22.4	-172.8	22.5	-34.1	0	0	0	114.9	R45 W129	R45-P89 WeakPolarHBondContact CD-O 3.38Å; R45-P89 PolarHBondContact NH1-O 3.18Å; P89-W129 HydrophobicContact CG-CB 4.41Å
90	F	96.7	Very high	98.1	Very high	110 Å²	110	30.7 Å²	30.7	48%	0.482	15%	0.147	S	C	.	.	S	Bend	trans	-121.2	-17.1	-179.4	-57.5	-77.2	0	0	0	114.8	R45 H88 P92 P131	R45-F90 VanDerWaalsContact NH1-CD1 3.34Å; H88-F90 PolarHBondContact ND1-N 3.25Å; H88-F90 VanDerWaalsContact ND1-N 3.18Å; H88-F90 PolarHBondContact O-N 3.15Å; H88-F90 VanDerWaalsContact O-N 3.15Å; F90-P92 WeakPolarHBondContact O-CD 3.34Å; F90-P131 WeakPolarHBondContact CE2-O 3.32Å
91	H	97.1	Very high	98.1	Very high	107 Å²	107	26.6 Å²	26.6	50%	0.495	13%	0.133	S	C	.	.			trans	-112.3	99	-173.7	-64.9	-51.8	0	0	0	107.7	H88 N93 I94	H88-H91 HydrophobicContact CB-CB 4.06Å; H88-H91 AromaticContact CE1-CD2 3.2Å; H88-H91 PolarHBondContact CE1-CD2 3.24Å; H88-H91 AromaticContact CE1-CG 3.97Å; H88-H91 AromaticContact CE1-NE2 3.89Å; H88-H91 AromaticContact CG-CD2 3.92Å; H88-H91 AromaticContact ND1-CD2 3.25Å; H88-H91 PolarHBondContact ND1-CD2 3.09Å; H88-H91 VanDerWaalsContact ND1-CD2 3.25Å; H88-H91 AromaticContact ND1-CG 3.59Å; H88-H91 PolarHBondContact ND1-N 2.81Å; H88-H91 AromaticContact NE2-CD2 3.79Å; H91-N93 PolarHBondContact O-N 2.88Å; H91-I94 HydrophobicContact CB-CB 4.16Å; H91-I94 HydrophobicContact CB-CG1 3.76Å; H91-I94 PolarHBondContact O-N 3.04Å; H91-I94 VanDerWaalsContact O-N 3.12Å
92	P	97.1	Very high	98.2	Very high	43 Å²	43	29.1 Å²	29.1	28%	0.279	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.9	-167	29.3	-37.1	0	0	0	114.4	N44 T46 W87 F90	N44-P92 PolarHBondContact ND2-O 3.28Å; T46-P92 HydrophobicContact CG2-CB 3.82Å; T46-P92 HydrophobicContact CG2-CG 4.38Å; W87-P92 VanDerWaalsContact CE3-O 3.31Å; W87-P92 WeakPolarHBondContact CZ3-O 3.37Å; F90-P92 WeakPolarHBondContact O-CD 3.34Å
93	N	97.3	Very high	98.2	Very high	35 Å²	35	29.4 Å²	29.4	19%	0.187	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-5.4	-178.7	-59.2	-53.3	0	0	0	113.1	H91 D108 T109 R110	H91-N93 PolarHBondContact O-N 2.88Å; N93-D108 WeakPolarHBondContact O-CA 3.42Å; N93-T109 VanDerWaalsContact CA-OG1 3.26Å; N93-T109 WeakPolarHBondContact CA-OG1 3.2Å; N93-T109 VanDerWaalsContact CB-OG1 3.25Å; N93-T109 WeakPolarHBondContact CB-OG1 3.38Å; N93-T109 PolarHBondContact O-N 3.16Å; N93-T109 PolarHBondContact O-OG1 3.11Å; N93-T109 PolarHBondContact OD1-OG1 3.2Å; N93-R110 HydrophobicContact CB-CG 3.86Å; N93-R110 WeakPolarHBondContact ND2-CD 3.23Å
94	I	97.9	Very high	98.2	Very high	24 Å²	24	28.3 Å²	28.3	12%	0.123	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.3	-177.7	-56.7	-58.8	0	0	0	109	W87 H88 H91 V106 L107 D108 W129	W87-I94 CarbonylContact C-O 3.58Å; W87-I94 WeakPolarHBondContact CA-O 3.22Å; H88-I94 HydrophobicContact CB-CB 3.83Å; H88-I94 HydrophobicContact CB-CG2 4.08Å; H88-I94 PolarHBondContact N-O 3.32Å; H91-I94 HydrophobicContact CB-CB 4.16Å; H91-I94 HydrophobicContact CB-CG1 3.76Å; H91-I94 PolarHBondContact O-N 3.04Å; H91-I94 VanDerWaalsContact O-N 3.12Å; I94-V106 HydrophobicContact CG2-CG1 3.68Å; I94-L107 WeakPolarHBondContact CA-O 3.21Å; I94-D108 HydrophobicContact CD1-CB 3.61Å; I94-W129 HydrophobicContact CG2-CZ2 4.31Å
95	V	98.4	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131	173.9	60.4	0	0	0	0	109.9	A51 L85 W87 T97 V106 L107	A51-V95 HydrophobicContact CB-CG2 4.21Å; L85-V95 HydrophobicContact CB-CG2 4.34Å; L85-V95 HydrophobicContact CD1-CG2 4.07Å; W87-V95 HydrophobicContact CD2-CB 3.87Å; W87-V95 HydrophobicContact CD2-CG2 4.23Å; W87-V95 HydrophobicContact CE3-CB 3.85Å; W87-V95 HydrophobicContact CG-CB 4.35Å; W87-V95 HydrophobicContact CG-CG2 4.35Å; W87-V95 HydrophobicContact CZ3-CB 4.22Å; W87-V95 HydrophobicContact CZ3-CG1 4.43Å; V95-T97 HydrophobicContact CG2-CG2 4.46Å; V95-V106 WeakPolarHBondContact O-CA 3.09Å; V95-L107 HydrophobicContact CG1-CB 3.71Å; V95-L107 HydrophobicContact CG1-CD2 3.83Å; V95-L107 HydrophobicContact CG1-CG 4.17Å; V95-L107 PolarHBondContact N-O 3.25Å; V95-L107 VanDerWaalsContact N-O 3.07Å; V95-L107 PolarHBondContact O-N 3.16Å
96	A	98.6	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.5	171.7	0	0	0	0	0	109.7	L85 R86 R105 V106 V127 W129 L136	L85-A96 CarbonylContact C-O 3.58Å; L85-A96 WeakPolarHBondContact CA-O 3.26Å; R86-A96 PolarHBondContact N-O 3.43Å; R86-A96 PolarHBondContact O-N 2.98Å; A96-R105 CarbonylContact C-O 3.5Å; A96-R105 WeakPolarHBondContact CA-O 3.39Å; A96-V106 HydrophobicContact CB-CG2 4.3Å; A96-V127 HydrophobicContact CB-CG2 4.22Å; A96-W129 HydrophobicContact CB-CZ2 3.74Å; A96-L136 HydrophobicContact CB-CD1 3.82Å; A96-L136 HydrophobicContact CB-CD2 3.78Å; A96-L136 HydrophobicContact CB-CG 4.48Å
97	T	98.8	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.2	-179	60.6	0	0	0	0	108.4	V59 H78 V82 L85 V95 I104 R105 W114	V59-T97 HydrophobicContact CG1-CG2 4.23Å; V59-T97 HydrophobicContact CG2-CG2 3.91Å; H78-T97 PolarHBondContact NE2-OG1 2.9Å; V82-T97 HydrophobicContact CG1-CG2 4.47Å; L85-T97 HydrophobicContact CB-CG2 3.79Å; V95-T97 HydrophobicContact CG2-CG2 4.46Å; T97-I104 CarbonylContact O-C 3.48Å; T97-I104 VanDerWaalsContact O-CA 3.23Å; T97-I104 WeakPolarHBondContact O-CA 3.43Å; T97-I104 WeakPolarHBondContact O-CG2 3.25Å; T97-R105 PolarHBondContact N-O 3.47Å; T97-R105 PolarHBondContact O-N 3.13Å; T97-R105 PolarHBondContact OG1-O 3.34Å; T97-W114 HydrophobicContact CG2-CZ3 4.42Å
98	C	98.7	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.6	174.7	74.9	0	0	0	0	110.8	V82 S83 D84 I104 N124 C126 V127 V138	V82-C98 CarbonylContact C-O 3.52Å; V82-C98 WeakPolarHBondContact CA-O 3.37Å; S83-C98 PolarHBondContact N-O 3.07Å; D84-C98 PolarHBondContact O-N 2.83Å; C98-I104 HydrophobicContact CB-CG1 4.32Å; C98-N124 HydrophobicContact CB-CB 3.62Å; C98-C126 VanDerWaalsContact SG-C 3.56Å; C98-V127 HydrophobicContact CB-CB 4.07Å; C98-V127 HydrophobicContact CB-CG1 4.25Å; C98-V138 HydrophobicContact CB-CG1 4.23Å
99	S	98.8	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.			trans	-140.2	158.5	-173.7	169.3	0	0	0	0	113.1	H78 R80 N81 D101 K102 T103 N124	H78-S99 WeakPolarHBondContact ND1-CB 3.26Å; R80-S99 PolarHBondContact O-OG 3.2Å; N81-S99 WeakPolarHBondContact O-CA 3.08Å; N81-S99 VanDerWaalsContact O-CB 3.25Å; N81-S99 WeakPolarHBondContact O-CB 3.42Å; N81-S99 PolarHBondContact O-OG 3.11Å; S99-D101 VanDerWaalsContact CB-OD1 3.22Å; S99-D101 WeakPolarHBondContact CB-OD1 3.17Å; S99-D101 PolarHBondContact O-N 3.31Å; S99-D101 VanDerWaalsContact OG-CG 3.25Å; S99-D101 PolarHBondContact OG-N 2.94Å; S99-D101 PolarHBondContact OG-OD1 3.13Å; S99-K102 PolarHBondContact O-N 3.1Å; S99-T103 PolarHBondContact N-O 2.98Å; S99-T103 VanDerWaalsContact N-O 3.16Å; S99-N124 WeakPolarHBondContact O-CB 3.21Å; S99-N124 PolarHBondContact O-N 2.88Å; S99-N124 VanDerWaalsContact O-N 3.16Å; S99-N124 PolarHBondContact O-ND2 2.83Å
100	L	98.6	Very high	98	Very high	19 Å²	19	32.6 Å²	32.6	10%	0.099	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-7.5	168.4	-55.5	-175.4	0	0	0	113.3	R80 N81 S83 K102 E123 K141	R80-L100 HydrophobicContact CB-CB 4.07Å; R80-L100 PolarHBondContact NH1-O 3.18Å; N81-L100 HydrophobicContact CB-CD1 3.96Å; N81-L100 HydrophobicContact CB-CG 4.2Å; N81-L100 PolarHBondContact O-N 3.38Å; N81-L100 VanDerWaalsContact O-N 3.13Å; S83-L100 WeakPolarHBondContact OG-CD2 3.37Å; L100-K102 PolarHBondContact O-N 2.84Å; L100-E123 HydrophobicContact CB-CB 4.46Å; L100-E123 HydrophobicContact CD2-CB 3.97Å; L100-K141 HydrophobicContact CD2-CD 4.22Å; L100-K141 VanDerWaalsContact CD2-CE 3.47Å
101	D	98.7	Very high	97.9	Very high	24 Å²	24	29.5 Å²	29.5	13%	0.128	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	6.5	171.7	75.3	-0.6	0	0	0	113.7	H78 L79 R80 S99 T103 R105	H78-D101 WeakPolarHBondContact CA-OD2 3.39Å; H78-D101 IonicContact CG-OD2 3.1Å; H78-D101 IonicContact ND1-OD1 2.72Å; H78-D101 PolarHBondContact ND1-OD1 3.46Å; H78-D101 IonicContact ND1-OD2 3.34Å; H78-D101 PolarHBondContact ND1-OD2 3.13Å; H78-D101 VanDerWaalsContact ND1-OD2 3.1Å; L79-D101 HydrophobicContact CB-CB 4.07Å; L79-D101 PolarHBondContact N-OD2 3.03Å; R80-D101 HydrophobicContact CB-CB 4.11Å; R80-D101 HydrophobicContact CG-CB 4.24Å; S99-D101 VanDerWaalsContact CB-OD1 3.22Å; S99-D101 WeakPolarHBondContact CB-OD1 3.17Å; S99-D101 PolarHBondContact O-N 3.31Å; S99-D101 VanDerWaalsContact OG-CG 3.25Å; S99-D101 PolarHBondContact OG-N 2.94Å; S99-D101 PolarHBondContact OG-OD1 3.13Å; D101-T103 VanDerWaalsContact C-N 3.28Å; D101-T103 PolarHBondContact O-N 2.98Å; D101-T103 WeakPolarHBondContact OD1-CA 3.11Å; D101-T103 WeakPolarHBondContact OD1-CB 3.44Å; D101-T103 PolarHBondContact OD1-N 2.96Å; D101-T103 PolarHBondContact OD1-OG1 2.85Å; D101-T103 PolarHBondContact OD2-OG1 3.36Å; D101-T103 VanDerWaalsContact OD2-OG1 3.13Å; D101-R105 IonicContact OD2-NH1 3.42Å; D101-R105 PolarHBondContact OD2-NH1 3Å
102	K	98.6	Very high	97.7	Very high	94 Å²	94	29.9 Å²	29.9	41%	0.409	15%	0.145	S	C	.	.	S	Bend	trans	62.9	32.7	-178.1	-45.7	-172.9	172.8	-164.4	0	113.4	S99 L100 T120 E121 G122 E123	S99-K102 PolarHBondContact O-N 3.1Å; L100-K102 PolarHBondContact O-N 2.84Å; K102-T120 WeakPolarHBondContact CA-OG1 3.2Å; K102-T120 PolarHBondContact O-N 3.21Å; K102-T120 PolarHBondContact O-OG1 3.48Å; K102-E121 PolarHBondContact NZ-O 2.7Å; K102-G122 WeakPolarHBondContact CB-O 3.35Å; K102-G122 WeakPolarHBondContact CG-O 3.34Å; K102-E123 HydrophobicContact CG-CG 4.48Å
103	T	98.7	Very high	97.6	Very high	5 Å²	5	34 Å²	34	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.2	173.3	72.3	0	0	0	0	112	H78 S99 D101 R105 L117 L118 N124	H78-T103 PolarHBondContact CE1-OG1 2.83Å; H78-T103 VanDerWaalsContact CE1-OG1 3.32Å; H78-T103 PolarHBondContact ND1-OG1 2.82Å; H78-T103 VanDerWaalsContact ND1-OG1 3.13Å; S99-T103 PolarHBondContact N-O 2.98Å; S99-T103 VanDerWaalsContact N-O 3.16Å; D101-T103 VanDerWaalsContact C-N 3.28Å; D101-T103 PolarHBondContact O-N 2.98Å; D101-T103 WeakPolarHBondContact OD1-CA 3.11Å; D101-T103 WeakPolarHBondContact OD1-CB 3.44Å; D101-T103 PolarHBondContact OD1-N 2.96Å; D101-T103 PolarHBondContact OD1-OG1 2.85Å; D101-T103 PolarHBondContact OD2-OG1 3.36Å; D101-T103 VanDerWaalsContact OD2-OG1 3.13Å; T103-R105 PolarHBondContact OG1-NH1 2.67Å; T103-L117 HydrophobicContact CG2-CD1 4.04Å; T103-L118 CarbonylContact C-O 3.58Å; T103-L118 VanDerWaalsContact CA-O 3.25Å; T103-L118 WeakPolarHBondContact CA-O 3.21Å; T103-N124 PolarHBondContact N-ND2 3.06Å; T103-N124 PolarHBondContact O-ND2 3.29Å; T103-N124 VanDerWaalsContact O-ND2 3.11Å
104	I	98.7	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.2	167	-55.4	151.5	0	0	0	105.8	T97 C98 L117 L118 T120 L136 V138 F148	T97-I104 CarbonylContact O-C 3.48Å; T97-I104 VanDerWaalsContact O-CA 3.23Å; T97-I104 WeakPolarHBondContact O-CA 3.43Å; T97-I104 WeakPolarHBondContact O-CG2 3.25Å; C98-I104 HydrophobicContact CB-CG1 4.32Å; I104-L117 WeakPolarHBondContact O-CA 3.41Å; I104-L118 HydrophobicContact CB-CB 4.2Å; I104-L118 HydrophobicContact CB-CD1 4.38Å; I104-L118 HydrophobicContact CD1-CB 4.34Å; I104-L118 HydrophobicContact CG2-CD1 4.38Å; I104-L118 PolarHBondContact N-O 2.66Å; I104-L118 PolarHBondContact O-N 2.94Å; I104-T120 HydrophobicContact CD1-CG2 3.64Å; I104-T120 HydrophobicContact CG1-CG2 4.14Å; I104-L136 HydrophobicContact CG2-CD2 3.76Å; I104-V138 HydrophobicContact CD1-CB 4.03Å; I104-V138 HydrophobicContact CD1-CG1 4.18Å; I104-V138 HydrophobicContact CD1-CG2 3.45Å; I104-V138 VanDerWaalsContact CD1-CG2 3.45Å; I104-V138 HydrophobicContact CG1-CG1 4.28Å; I104-V138 HydrophobicContact CG1-CG2 3.91Å; I104-F148 HydrophobicContact CD1-CD2 3.91Å; I104-F148 HydrophobicContact CD1-CE2 3.28Å; I104-F148 HydrophobicContact CD1-CZ 3.75Å
105	R	98.7	Very high	97.5	Very high	30 Å²	30	37.2 Å²	37.2	11%	0.113	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.7	171.6	-69	-178.2	168.9	78.5	1.4	109.7	G77 H78 A96 T97 D101 T103 W114 A116 L117	G77-R105 PolarHBondContact O-NH1 3.17Å; G77-R105 PolarHBondContact O-NH2 3.26Å; H78-R105 VanDerWaalsContact CA-NH1 3.31Å; H78-R105 PolarHBondContact CE1-NH1 2.94Å; H78-R105 VanDerWaalsContact CG-NH1 3.34Å; H78-R105 PolarHBondContact ND1-NH1 2.84Å; A96-R105 CarbonylContact C-O 3.5Å; A96-R105 WeakPolarHBondContact CA-O 3.39Å; T97-R105 PolarHBondContact N-O 3.47Å; T97-R105 PolarHBondContact O-N 3.13Å; T97-R105 PolarHBondContact OG1-O 3.34Å; D101-R105 IonicContact OD2-NH1 3.42Å; D101-R105 PolarHBondContact OD2-NH1 3Å; T103-R105 PolarHBondContact OG1-NH1 2.67Å; R105-W114 HydrophobicContact CB-CD2 3.98Å; R105-W114 HydrophobicContact CB-CE3 3.49Å; R105-W114 VanDerWaalsContact CB-CE3 3.49Å; R105-W114 HydrophobicContact CB-CH2 4.33Å; R105-W114 HydrophobicContact CB-CZ3 3.67Å; R105-W114 HydrophobicContact CG-CD2 4.48Å; R105-W114 HydrophobicContact CG-CE3 4.44Å; R105-A116 WeakPolarHBondContact CA-O 3.21Å; R105-L117 HydrophobicContact CG-CD1 3.77Å
106	V	98.5	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.6	176.2	-175.4	0	0	0	0	107.6	I94 V95 A96 W114 V115 A116 L118 W153	I94-V106 HydrophobicContact CG2-CG1 3.68Å; V95-V106 WeakPolarHBondContact O-CA 3.09Å; A96-V106 HydrophobicContact CB-CG2 4.3Å; V106-W114 CarbonylContact O-C 3.59Å; V106-W114 WeakPolarHBondContact O-CA 3.39Å; V106-V115 HydrophobicContact CB-CG2 4.21Å; V106-V115 HydrophobicContact CG1-CG2 3.95Å; V106-V115 WeakPolarHBondContact O-CG2 3.03Å; V106-V115 PolarHBondContact O-N 2.75Å; V106-A116 HydrophobicContact CB-CB 3.88Å; V106-A116 HydrophobicContact CG2-CB 3.97Å; V106-A116 PolarHBondContact N-O 3.16Å; V106-A116 PolarHBondContact O-N 3.18Å; V106-L118 HydrophobicContact CG2-CD1 4.27Å; V106-W153 HydrophobicContact CB-CH2 4.06Å; V106-W153 HydrophobicContact CB-CZ2 4.13Å; V106-W153 HydrophobicContact CG1-CH2 3.74Å; V106-W153 HydrophobicContact CG1-CZ2 3.87Å; V106-W153 HydrophobicContact CG2-CE3 4.39Å; V106-W153 HydrophobicContact CG2-CH2 3.51Å; V106-W153 HydrophobicContact CG2-CZ2 3.96Å; V106-W153 HydrophobicContact CG2-CZ3 3.77Å
107	L	98.2	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.4	178.5	174.1	66.9	0	0	0	109.1	V61 C75 I94 V95 T109 K113 W114	V61-L107 HydrophobicContact CG2-CD2 3.68Å; C75-L107 WeakPolarHBondContact SG-CD2 3.42Å; I94-L107 WeakPolarHBondContact CA-O 3.21Å; V95-L107 HydrophobicContact CG1-CB 3.71Å; V95-L107 HydrophobicContact CG1-CD2 3.83Å; V95-L107 HydrophobicContact CG1-CG 4.17Å; V95-L107 PolarHBondContact N-O 3.25Å; V95-L107 VanDerWaalsContact N-O 3.07Å; V95-L107 PolarHBondContact O-N 3.16Å; L107-T109 HydrophobicContact CD2-CG2 4.04Å; L107-T109 HydrophobicContact CG-CG2 4.24Å; L107-K113 WeakPolarHBondContact CD1-O 3.37Å; L107-W114 HydrophobicContact CB-CE3 3.69Å; L107-W114 HydrophobicContact CB-CZ3 3.63Å; L107-W114 HydrophobicContact CD1-CE3 4.44Å
108	D	97.5	Very high	97.5	Very high	18 Å²	18	42.5 Å²	42.5	10%	0.096	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.4	160.8	-172.7	-22.8	0	0	0	108.6	N93 I94 R110 A111 Q112 K113 V115	N93-D108 WeakPolarHBondContact O-CA 3.42Å; I94-D108 HydrophobicContact CD1-CB 3.61Å; D108-R110 PolarHBondContact O-N 2.93Å; D108-R110 VanDerWaalsContact O-N 3.16Å; D108-R110 WeakPolarHBondContact OD1-CB 3.22Å; D108-R110 IonicContact OD1-CZ 3.83Å; D108-R110 PolarHBondContact OD1-N 3.12Å; D108-R110 IonicContact OD1-NE 3.03Å; D108-R110 PolarHBondContact OD1-NE 2.89Å; D108-R110 IonicContact OD1-NH2 2.67Å; D108-R110 IonicContact OD2-CZ 3.48Å; D108-R110 IonicContact OD2-NE 3.45Å; D108-R110 PolarHBondContact OD2-NE 3.44Å; D108-R110 IonicContact OD2-NH2 3.74Å; D108-R110 PolarHBondContact OD2-NH2 3.03Å; D108-A111 HydrophobicContact CB-CB 4.15Å; D108-A111 CarbonylContact O-C 3.58Å; D108-A111 PolarHBondContact O-N 2.92Å; D108-Q112 PolarHBondContact O-N 2.56Å; D108-K113 PolarHBondContact N-O 3.35Å; D108-V115 HydrophobicContact CB-CG1 3.64Å; D108-V115 HydrophobicContact CB-CG2 4.23Å
109	T	96.3	Very high	97.4	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.7	-176	58.3	0	0	0	0	113.4	V61 F72 W87 N93 L107	V61-T109 HydrophobicContact CG1-CG2 4.09Å; V61-T109 HydrophobicContact CG2-CG2 4.15Å; F72-T109 WeakPolarHBondContact CE1-O 3.37Å; W87-T109 HydrophobicContact CH2-CG2 3.83Å; W87-T109 HydrophobicContact CZ3-CG2 4Å; N93-T109 VanDerWaalsContact CA-OG1 3.26Å; N93-T109 WeakPolarHBondContact CA-OG1 3.2Å; N93-T109 VanDerWaalsContact CB-OG1 3.25Å; N93-T109 WeakPolarHBondContact CB-OG1 3.38Å; N93-T109 PolarHBondContact O-N 3.16Å; N93-T109 PolarHBondContact O-OG1 3.11Å; N93-T109 PolarHBondContact OD1-OG1 3.2Å; L107-T109 HydrophobicContact CD2-CG2 4.04Å; L107-T109 HydrophobicContact CG-CG2 4.24Å
110	R	95.9	Very high	97.4	Very high	172 Å²	172	52.2 Å²	52.2	65%	0.649	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-36.4	172	-58.7	170.8	-67.2	167.4	5.9	111.6	N93 D108 Q112	N93-R110 HydrophobicContact CB-CG 3.86Å; N93-R110 WeakPolarHBondContact ND2-CD 3.23Å; D108-R110 PolarHBondContact O-N 2.93Å; D108-R110 VanDerWaalsContact O-N 3.16Å; D108-R110 WeakPolarHBondContact OD1-CB 3.22Å; D108-R110 IonicContact OD1-CZ 3.83Å; D108-R110 PolarHBondContact OD1-N 3.12Å; D108-R110 IonicContact OD1-NE 3.03Å; D108-R110 PolarHBondContact OD1-NE 2.89Å; D108-R110 IonicContact OD1-NH2 2.67Å; D108-R110 IonicContact OD2-CZ 3.48Å; D108-R110 IonicContact OD2-NE 3.45Å; D108-R110 PolarHBondContact OD2-NE 3.44Å; D108-R110 IonicContact OD2-NH2 3.74Å; D108-R110 PolarHBondContact OD2-NH2 3.03Å; R110-Q112 VanDerWaalsContact C-N 3.35Å
111	A	94.6	Very high	97.3	Very high	46 Å²	46	57.8 Å²	57.8	38%	0.38	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.1	179.8	0	0	0	0	0	112.5	D108 K113	D108-A111 HydrophobicContact CB-CB 4.15Å; D108-A111 CarbonylContact O-C 3.58Å; D108-A111 PolarHBondContact O-N 2.92Å; A111-K113 HydrophobicContact CB-CG 4Å; A111-K113 PolarHBondContact O-N 2.88Å
112	Q	93.6	Very high	97.3	Very high	114 Å²	114	56.9 Å²	56.9	53%	0.533	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	41	-179.2	-61.3	-178.2	-17.1	0	0	112.8	F72 E73 D108 R110	F72-Q112 HydrophobicContact CZ-CG 4.47Å; E73-Q112 VanDerWaalsContact OE1-CA 3.26Å; E73-Q112 WeakPolarHBondContact OE1-CA 3.47Å; E73-Q112 WeakPolarHBondContact OE2-CA 3.43Å; D108-Q112 PolarHBondContact O-N 2.56Å; R110-Q112 VanDerWaalsContact C-N 3.35Å
113	K	93.7	Very high	97.2	Very high	130 Å²	130	54.9 Å²	54.9	57%	0.565	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.9	157.3	-179.4	68.7	-176.6	-179	179.1	0	111.9	L107 D108 A111 V115	L107-K113 WeakPolarHBondContact CD1-O 3.37Å; D108-K113 PolarHBondContact N-O 3.35Å; A111-K113 HydrophobicContact CB-CG 4Å; A111-K113 PolarHBondContact O-N 2.88Å; K113-V115 PolarHBondContact O-N 3.35Å
114	W	97.5	Very high	97.2	Very high	61 Å²	61	54.7 Å²	54.7	23%	0.231	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	121.4	166.4	-52.8	113.5	0	0	0	110	V59 C75 R76 T97 R105 V106 L107	V59-W114 HydrophobicContact CB-CH2 3.98Å; V59-W114 HydrophobicContact CG2-CH2 3.92Å; C75-W114 HydrophobicContact CB-CH2 3.79Å; C75-W114 HydrophobicContact CB-CZ2 3.28Å; R76-W114 PolarHBondContact O-NE1 2.86Å; T97-W114 HydrophobicContact CG2-CZ3 4.42Å; R105-W114 HydrophobicContact CB-CD2 3.98Å; R105-W114 HydrophobicContact CB-CE3 3.49Å; R105-W114 VanDerWaalsContact CB-CE3 3.49Å; R105-W114 HydrophobicContact CB-CH2 4.33Å; R105-W114 HydrophobicContact CB-CZ3 3.67Å; R105-W114 HydrophobicContact CG-CD2 4.48Å; R105-W114 HydrophobicContact CG-CE3 4.44Å; V106-W114 CarbonylContact O-C 3.59Å; V106-W114 WeakPolarHBondContact O-CA 3.39Å; L107-W114 HydrophobicContact CB-CE3 3.69Å; L107-W114 HydrophobicContact CB-CZ3 3.63Å; L107-W114 HydrophobicContact CD1-CE3 4.44Å
115	V	97	Very high	97.2	Very high	65 Å²	65	55.9 Å²	55.9	39%	0.394	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-14.6	177.6	-64.9	0	0	0	0	112.7	V106 D108 K113	V106-V115 HydrophobicContact CB-CG2 4.21Å; V106-V115 HydrophobicContact CG1-CG2 3.95Å; V106-V115 WeakPolarHBondContact O-CG2 3.03Å; V106-V115 PolarHBondContact O-N 2.75Å; D108-V115 HydrophobicContact CB-CG1 3.64Å; D108-V115 HydrophobicContact CB-CG2 4.23Å; K113-V115 PolarHBondContact O-N 3.35Å
116	A	97.8	Very high	97.1	Very high	11 Å²	11	54.7 Å²	54.7	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	149.1	172.2	0	0	0	0	0	112.1	R105 V106 L118 W153	R105-A116 WeakPolarHBondContact CA-O 3.21Å; V106-A116 HydrophobicContact CB-CB 3.88Å; V106-A116 HydrophobicContact CG2-CB 3.97Å; V106-A116 PolarHBondContact N-O 3.16Å; V106-A116 PolarHBondContact O-N 3.18Å; A116-L118 HydrophobicContact CB-CD1 3.88Å; A116-W153 HydrophobicContact CB-CD2 3.89Å; A116-W153 HydrophobicContact CB-CG 3.9Å; A116-W153 HydrophobicContact CB-CZ2 4.14Å
117	L	98.2	Very high	97.1	Very high	90 Å²	90	54.7 Å²	54.7	47%	0.471	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	116.3	170.2	172.5	64.7	0	0	0	107.9	T103 I104 R105	T103-L117 HydrophobicContact CG2-CD1 4.04Å; I104-L117 WeakPolarHBondContact O-CA 3.41Å; R105-L117 HydrophobicContact CG-CD1 3.77Å
118	L	98.4	Very high	97.1	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.4	178.5	-53.3	79.2	0	0	0	108.6	T103 I104 V106 A116 F148 W153	T103-L118 CarbonylContact C-O 3.58Å; T103-L118 VanDerWaalsContact CA-O 3.25Å; T103-L118 WeakPolarHBondContact CA-O 3.21Å; I104-L118 HydrophobicContact CB-CB 4.2Å; I104-L118 HydrophobicContact CB-CD1 4.38Å; I104-L118 HydrophobicContact CD1-CB 4.34Å; I104-L118 HydrophobicContact CG2-CD1 4.38Å; I104-L118 PolarHBondContact N-O 2.66Å; I104-L118 PolarHBondContact O-N 2.94Å; V106-L118 HydrophobicContact CG2-CD1 4.27Å; A116-L118 HydrophobicContact CB-CD1 3.88Å; L118-F148 HydrophobicContact CB-CE1 4.42Å; L118-F148 HydrophobicContact CD2-CB 3.77Å; L118-F148 HydrophobicContact CD2-CD1 3.35Å; L118-F148 HydrophobicContact CD2-CD2 4.15Å; L118-F148 HydrophobicContact CD2-CE1 3.91Å; L118-F148 HydrophobicContact CD2-CG 3.48Å; L118-F148 VanDerWaalsContact CD2-CG 3.48Å; L118-W153 HydrophobicContact CD1-CB 4.39Å; L118-W153 HydrophobicContact CD1-CD2 4.33Å; L118-W153 HydrophobicContact CD1-CE3 4.17Å; L118-W153 HydrophobicContact CD1-CG 4.44Å; L118-W153 HydrophobicContact CD2-CB 3.91Å; L118-W153 HydrophobicContact CD2-CE3 4.12Å; L118-W153 HydrophobicContact CG-CB 4.11Å
119	R	97.9	Very high	97.1	Very high	190 Å²	190	55.5 Å²	55.5	72%	0.717	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.6	176.7	-66.7	-172.7	174.1	-77.7	1.7	110.2
120	T	97.9	Very high	97.1	Very high	14 Å²	14	55.7 Å²	55.7	9%	0.086	26%	0.264	C	S	.	.			trans	-118.9	158.8	176.2	56.7	0	0	0	0	110.3	K102 I104 G122 N124 F148	K102-T120 WeakPolarHBondContact CA-OG1 3.2Å; K102-T120 PolarHBondContact O-N 3.21Å; K102-T120 PolarHBondContact O-OG1 3.48Å; I104-T120 HydrophobicContact CD1-CG2 3.64Å; I104-T120 HydrophobicContact CG1-CG2 4.14Å; T120-G122 PolarHBondContact OG1-O 2.68Å; T120-N124 WeakPolarHBondContact CG2-OD1 3.49Å; T120-N124 PolarHBondContact OG1-ND2 2.83Å; T120-N124 PolarHBondContact OG1-OD1 2.81Å; T120-F148 HydrophobicContact CG2-CE2 4.47Å; T120-F148 HydrophobicContact CG2-CZ 4.01Å
121	E	97.4	Very high	97.1	Very high	137 Å²	137	49.4 Å²	49.4	64%	0.64	25%	0.245	S	C	*	.	S	Bend	trans	-76.1	-31.2	178.1	-60.3	-59	151.1	0	0	112.4	K102	K102-E121 PolarHBondContact NZ-O 2.7Å
122	G	97.1	Very high	97.1	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	25%	0.247	C	C	.	.	S	Bend	trans	-114.6	166	-176.4	0	0	0	0	0	114	K102 T120 N124 D142	K102-G122 WeakPolarHBondContact CB-O 3.35Å; K102-G122 WeakPolarHBondContact CG-O 3.34Å; T120-G122 PolarHBondContact OG1-O 2.68Å; G122-N124 PolarHBondContact O-N 2.81Å; G122-N124 PolarHBondContact O-OD1 3.42Å; G122-D142 WeakPolarHBondContact CA-OD2 3.46Å; G122-D142 PolarHBondContact N-OD2 3.12Å
123	E	98.5	Very high	97.3	Very high	52 Å²	52	45.6 Å²	45.6	24%	0.243	22%	0.223	C	C	.	.			trans	-68.6	125	170.9	-61	-170.1	170.7	0	0	109.9	R80 L100 K102 A140 K141	R80-E123 IonicContact CZ-OE1 3.18Å; R80-E123 IonicContact NH1-OE1 3.47Å; R80-E123 PolarHBondContact NH1-OE1 3.17Å; R80-E123 IonicContact NH1-OE2 3.52Å; R80-E123 IonicContact NH2-OE1 3.68Å; R80-E123 PolarHBondContact NH2-OE1 3.41Å; L100-E123 HydrophobicContact CB-CB 4.46Å; L100-E123 HydrophobicContact CD2-CB 3.97Å; K102-E123 HydrophobicContact CG-CG 4.48Å; E123-A140 CarbonylContact O-C 3.55Å; E123-A140 WeakPolarHBondContact O-CA 3.5Å; E123-A140 WeakPolarHBondContact O-CB 3.48Å; E123-K141 HydrophobicContact CB-CB 4.41Å; E123-K141 HydrophobicContact CB-CD 4.18Å; E123-K141 HydrophobicContact CB-CG 4.37Å; E123-K141 PolarHBondContact O-N 3.24Å; E123-K141 IonicContact OE2-NZ 3.98Å; E123-K141 PolarHBondContact OE2-NZ 2.79Å
124	N	98.5	Very high	97.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.1	-173	-57.1	-49.4	0	0	0	111.1	S83 C98 S99 T103 T120 G122 V138	S83-N124 WeakPolarHBondContact CB-O 3.25Å; S83-N124 PolarHBondContact OG-O 3.25Å; C98-N124 HydrophobicContact CB-CB 3.62Å; S99-N124 WeakPolarHBondContact O-CB 3.21Å; S99-N124 PolarHBondContact O-N 2.88Å; S99-N124 VanDerWaalsContact O-N 3.16Å; S99-N124 PolarHBondContact O-ND2 2.83Å; T103-N124 PolarHBondContact N-ND2 3.06Å; T103-N124 PolarHBondContact O-ND2 3.29Å; T103-N124 VanDerWaalsContact O-ND2 3.11Å; T120-N124 WeakPolarHBondContact CG2-OD1 3.49Å; T120-N124 PolarHBondContact OG1-ND2 2.83Å; T120-N124 PolarHBondContact OG1-OD1 2.81Å; G122-N124 PolarHBondContact O-N 2.81Å; G122-N124 PolarHBondContact O-OD1 3.42Å; N124-V138 HydrophobicContact CB-CG1 3.76Å; N124-V138 WeakPolarHBondContact OD1-CG1 3.48Å
125	A	97.5	Very high	97.3	Very high	24 Å²	24	40.2 Å²	40.2	20%	0.198	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-35.7	-179.3	0	0	0	0	0	112.7	G139 K141	A125-G139 PolarHBondContact N-O 2.82Å; A125-K141 HydrophobicContact CB-CG 4.26Å
126	C	97.7	Very high	97.4	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.1	-177.4	61.2	0	0	0	0	111.9	C98 V138 G139 S167	C98-C126 VanDerWaalsContact SG-C 3.56Å; C126-V138 WeakPolarHBondContact O-CA 3.23Å; C126-V138 WeakPolarHBondContact O-CG1 3.4Å; C126-G139 PolarHBondContact N-O 2.87Å; C126-G139 PolarHBondContact O-N 3.5Å; C126-S167 VanDerWaalsContact SG-CA 3.56Å
127	V	98.2	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.2	176.4	57.2	0	0	0	0	110.3	D84 R86 A96 C98 L136 G137 V138	D84-V127 HydrophobicContact CB-CG1 4.14Å; D84-V127 PolarHBondContact OD2-N 2.83Å; R86-V127 HydrophobicContact CG-CG1 4.41Å; R86-V127 WeakPolarHBondContact CG-O 3.43Å; A96-V127 HydrophobicContact CB-CG2 4.22Å; C98-V127 HydrophobicContact CB-CB 4.07Å; C98-V127 HydrophobicContact CB-CG1 4.25Å; V127-L136 HydrophobicContact CG2-CD1 3.43Å; V127-L136 VanDerWaalsContact CG2-CD1 3.43Å; V127-L136 HydrophobicContact CG2-CD2 4.16Å; V127-L136 HydrophobicContact CG2-CG 3.86Å; V127-G137 CarbonylContact C-O 3.55Å; V127-G137 WeakPolarHBondContact CA-O 3.41Å; V127-V138 HydrophobicContact CB-CG2 4.08Å; V127-V138 HydrophobicContact CG2-CG2 3.8Å
128	N	97.7	Very high	97.3	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.5	174.3	-86.7	-68.5	0	0	0	112.8	R86 G137 I168	R86-N128 PolarHBondContact NE-OD1 3.12Å; N128-G137 PolarHBondContact N-O 3.43Å; N128-G137 PolarHBondContact O-N 2.58Å; N128-I168 PolarHBondContact ND2-O 2.64Å
129	W	97.5	Very high	97.3	Very high	19 Å²	19	31.9 Å²	31.9	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.5	168.4	-65.2	100.6	0	0	0	110.7	R86 H88 P89 I94 A96 L136 A150 W153	R86-W129 PolarHBondContact O-NE1 2.9Å; H88-W129 HydrophobicContact CB-CZ2 4.39Å; H88-W129 AromaticContact CD2-CE3 3.86Å; H88-W129 AromaticContact CD2-CH2 3.9Å; H88-W129 AromaticContact CD2-CZ3 3.8Å; P89-W129 HydrophobicContact CG-CB 4.41Å; I94-W129 HydrophobicContact CG2-CZ2 4.31Å; A96-W129 HydrophobicContact CB-CZ2 3.74Å; W129-L136 HydrophobicContact CD2-CD1 3.56Å; W129-L136 HydrophobicContact CE3-CB 4.19Å; W129-L136 HydrophobicContact CE3-CD1 3.83Å; W129-L136 HydrophobicContact CG-CD1 4.04Å; W129-L136 HydrophobicContact CH2-CD1 4.19Å; W129-L136 HydrophobicContact CZ2-CD1 3.93Å; W129-L136 HydrophobicContact CZ3-CB 4.06Å; W129-L136 HydrophobicContact CZ3-CD1 4.13Å; W129-A150 HydrophobicContact CH2-CB 4.44Å; W129-A150 HydrophobicContact CZ3-CB 3.67Å; W129-W153 AromaticContact CH2-CH2 3.69Å; W129-W153 HydrophobicContact CH2-CH2 3.69Å; W129-W153 AromaticContact CH2-CZ3 3.86Å; W129-W153 HydrophobicContact CH2-CZ3 3.86Å; W129-W153 HydrophobicContact CZ3-CZ3 4.39Å
130	T	96	Very high	97.3	Very high	8 Å²	8	23 Å²	23	5%	0.049	13%	0.128	C	C	.	.			trans	-59.4	151.7	158	50.6	0	0	0	0	109.8	D132 G133 T134 V135 W170	T130-D132 WeakPolarHBondContact CB-OD1 3.45Å; T130-D132 PolarHBondContact O-N 3.21Å; T130-D132 VanDerWaalsContact O-N 3.13Å; T130-D132 PolarHBondContact OG1-OD1 2.85Å; T130-G133 WeakPolarHBondContact O-CA 3.42Å; T130-G133 PolarHBondContact O-N 2.93Å; T130-T134 PolarHBondContact OG1-N 3Å; T130-V135 HydrophobicContact CG2-CB 3.72Å; T130-V135 HydrophobicContact CG2-CG1 4.36Å; T130-V135 PolarHBondContact N-O 2.99Å; T130-V135 PolarHBondContact OG1-N 3.29Å; T130-V135 PolarHBondContact OG1-O 3.24Å; T130-W170 HydrophobicContact CG2-CD2 3.79Å; T130-W170 VanDerWaalsContact CG2-CE2 3.47Å; T130-W170 HydrophobicContact CG2-CE3 4.23Å; T130-W170 HydrophobicContact CG2-CG 4.26Å; T130-W170 HydrophobicContact CG2-CH2 4.09Å; T130-W170 HydrophobicContact CG2-CZ2 3.62Å; T130-W170 HydrophobicContact CG2-CZ3 4.37Å
131	P	95.6	Very high	97.3	Very high	39 Å²	39	27.9 Å²	27.9	25%	0.253	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.4	-178.1	-25.2	30.5	0	0	0	114.9	F90 G133 W170 N171 K172 A174	F90-P131 WeakPolarHBondContact CE2-O 3.32Å; P131-G133 VanDerWaalsContact C-N 3.33Å; P131-W170 HydrophobicContact CG-CB 4.16Å; P131-N171 WeakPolarHBondContact CG-O 3.03Å; P131-K172 WeakPolarHBondContact CB-O 3.14Å; P131-A174 HydrophobicContact CG-CB 4.11Å
132	D	95.5	Very high	97.2	Very high	78 Å²	78	23.7 Å²	23.7	42%	0.417	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.4	175.3	67.9	-15.9	0	0	0	112.9	T130 T134	T130-D132 WeakPolarHBondContact CB-OD1 3.45Å; T130-D132 PolarHBondContact O-N 3.21Å; T130-D132 VanDerWaalsContact O-N 3.13Å; T130-D132 PolarHBondContact OG1-OD1 2.85Å; D132-T134 HydrophobicContact CB-CG2 4.28Å; D132-T134 PolarHBondContact O-N 3.13Å; D132-T134 PolarHBondContact OD1-N 2.72Å; D132-T134 PolarHBondContact OD1-OG1 3.39Å; D132-T134 WeakPolarHBondContact OD2-CG2 3.37Å; D132-T134 PolarHBondContact OD2-OG1 3.48Å
133	G	96.8	Very high	97.2	Very high	3 Å²	3	25 Å²	25	3%	0.031	14%	0.136	C	C	.	.	S	Bend	trans	75	6	179.6	0	0	0	0	0	114.9	H88 T130 P131 A150	H88-G133 WeakPolarHBondContact NE2-CA 3.33Å; H88-G133 PolarHBondContact NE2-O 3.5Å; H88-G133 VanDerWaalsContact NE2-O 3.12Å; T130-G133 WeakPolarHBondContact O-CA 3.42Å; T130-G133 PolarHBondContact O-N 2.93Å; P131-G133 VanDerWaalsContact C-N 3.33Å; G133-A150 WeakPolarHBondContact O-CB 3.17Å
134	T	96.4	Very high	97.1	Very high	50 Å²	50	25.3 Å²	25.3	31%	0.307	14%	0.136	S	C	.	.	S	Bend	trans	-82.8	-21.3	-172.6	62.5	0	0	0	0	113.8	T130 D132 A150	T130-T134 PolarHBondContact OG1-N 3Å; D132-T134 HydrophobicContact CB-CG2 4.28Å; D132-T134 PolarHBondContact O-N 3.13Å; D132-T134 PolarHBondContact OD1-N 2.72Å; D132-T134 PolarHBondContact OD1-OG1 3.39Å; D132-T134 WeakPolarHBondContact OD2-CG2 3.37Å; D132-T134 PolarHBondContact OD2-OG1 3.48Å; T134-A150 WeakPolarHBondContact O-CB 3.07Å; T134-A150 PolarHBondContact O-N 3Å
135	V	96.5	Very high	97	Very high	27 Å²	27	25.3 Å²	25.3	16%	0.164	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.2	-179.4	176.8	0	0	0	0	110.3	T130 F147 F148 L156	T130-V135 HydrophobicContact CG2-CB 3.72Å; T130-V135 HydrophobicContact CG2-CG1 4.36Å; T130-V135 PolarHBondContact N-O 2.99Å; T130-V135 PolarHBondContact OG1-N 3.29Å; T130-V135 PolarHBondContact OG1-O 3.24Å; V135-F147 HydrophobicContact CG1-CB 3.99Å; V135-F147 HydrophobicContact CG1-CD1 4.27Å; V135-F148 CarbonylContact C-O 3.45Å; V135-F148 VanDerWaalsContact CA-O 3.28Å; V135-F148 WeakPolarHBondContact CA-O 3.31Å; V135-L156 HydrophobicContact CG1-CD1 4.14Å; V135-L156 HydrophobicContact CG2-CD1 3.76Å
136	L	97.7	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.3	169.6	-169.8	67.5	0	0	0	109.2	A96 I104 V127 W129 V138 F147 F148 W153	A96-L136 HydrophobicContact CB-CD1 3.82Å; A96-L136 HydrophobicContact CB-CD2 3.78Å; A96-L136 HydrophobicContact CB-CG 4.48Å; I104-L136 HydrophobicContact CG2-CD2 3.76Å; V127-L136 HydrophobicContact CG2-CD1 3.43Å; V127-L136 VanDerWaalsContact CG2-CD1 3.43Å; V127-L136 HydrophobicContact CG2-CD2 4.16Å; V127-L136 HydrophobicContact CG2-CG 3.86Å; W129-L136 HydrophobicContact CD2-CD1 3.56Å; W129-L136 HydrophobicContact CE3-CB 4.19Å; W129-L136 HydrophobicContact CE3-CD1 3.83Å; W129-L136 HydrophobicContact CG-CD1 4.04Å; W129-L136 HydrophobicContact CH2-CD1 4.19Å; W129-L136 HydrophobicContact CZ2-CD1 3.93Å; W129-L136 HydrophobicContact CZ3-CB 4.06Å; W129-L136 HydrophobicContact CZ3-CD1 4.13Å; L136-V138 HydrophobicContact CG-CG2 4.37Å; L136-F147 CarbonylContact O-C 3.49Å; L136-F147 WeakPolarHBondContact O-CA 3.15Å; L136-F148 HydrophobicContact CB-CB 4.44Å; L136-F148 PolarHBondContact N-O 3.39Å; L136-F148 PolarHBondContact O-N 2.98Å; L136-W153 HydrophobicContact CD2-CZ3 4.43Å
137	G	97.2	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.8	171.6	0	0	0	0	0	111	V127 N128 S146	V127-G137 CarbonylContact C-O 3.55Å; V127-G137 WeakPolarHBondContact CA-O 3.41Å; N128-G137 PolarHBondContact N-O 3.43Å; N128-G137 PolarHBondContact O-N 2.58Å; G137-S146 CarbonylContact C-O 3.55Å; G137-S146 WeakPolarHBondContact CA-O 3.22Å
138	V	98.1	Very high	97	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.1	177.9	178.5	0	0	0	0	109.7	C98 I104 N124 C126 V127 L136 A145 S146 F148	C98-V138 HydrophobicContact CB-CG1 4.23Å; I104-V138 HydrophobicContact CD1-CB 4.03Å; I104-V138 HydrophobicContact CD1-CG1 4.18Å; I104-V138 HydrophobicContact CD1-CG2 3.45Å; I104-V138 VanDerWaalsContact CD1-CG2 3.45Å; I104-V138 HydrophobicContact CG1-CG1 4.28Å; I104-V138 HydrophobicContact CG1-CG2 3.91Å; N124-V138 HydrophobicContact CB-CG1 3.76Å; N124-V138 WeakPolarHBondContact OD1-CG1 3.48Å; C126-V138 WeakPolarHBondContact O-CA 3.23Å; C126-V138 WeakPolarHBondContact O-CG1 3.4Å; V127-V138 HydrophobicContact CB-CG2 4.08Å; V127-V138 HydrophobicContact CG2-CG2 3.8Å; L136-V138 HydrophobicContact CG-CG2 4.37Å; V138-A145 CarbonylContact O-C 3.59Å; V138-A145 WeakPolarHBondContact O-CA 3.28Å; V138-S146 PolarHBondContact N-O 2.82Å; V138-S146 PolarHBondContact O-N 2.89Å; V138-F148 HydrophobicContact CG2-CE2 4.38Å
139	G	97.6	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.3	172.9	0	0	0	0	0	110.5	A125 C126	A125-G139 PolarHBondContact N-O 2.82Å; C126-G139 PolarHBondContact N-O 2.87Å; C126-G139 PolarHBondContact O-N 3.5Å
140	A	98	Very high	97	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.041	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.8	-179.4	0	0	0	0	0	111.7	E123 D142 N143 F144	E123-A140 CarbonylContact O-C 3.55Å; E123-A140 WeakPolarHBondContact O-CA 3.5Å; E123-A140 WeakPolarHBondContact O-CB 3.48Å; A140-D142 VanDerWaalsContact CB-OD1 3.27Å; A140-D142 WeakPolarHBondContact CB-OD1 3.35Å; A140-D142 PolarHBondContact O-N 2.96Å; A140-D142 VanDerWaalsContact O-N 3.13Å; A140-N143 PolarHBondContact O-N 2.93Å; A140-F144 PolarHBondContact N-O 2.9Å
141	K	96.8	Very high	97	Very high	115 Å²	115	36.6 Å²	36.6	50%	0.5	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.5	179.1	-67.5	-171.7	177.6	174.2	0	114.4	L100 E123 A125 N143	L100-K141 HydrophobicContact CD2-CD 4.22Å; L100-K141 VanDerWaalsContact CD2-CE 3.47Å; E123-K141 HydrophobicContact CB-CB 4.41Å; E123-K141 HydrophobicContact CB-CD 4.18Å; E123-K141 HydrophobicContact CB-CG 4.37Å; E123-K141 PolarHBondContact O-N 3.24Å; E123-K141 IonicContact OE2-NZ 3.98Å; E123-K141 PolarHBondContact OE2-NZ 2.79Å; A125-K141 HydrophobicContact CB-CG 4.26Å; K141-N143 VanDerWaalsContact C-N 3.26Å
142	D	96.9	Very high	97	Very high	50 Å²	50	39.7 Å²	39.7	27%	0.267	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	14.3	175	64	8.2	0	0	0	112.6	G122 A140 F144 R158	G122-D142 WeakPolarHBondContact CA-OD2 3.46Å; G122-D142 PolarHBondContact N-OD2 3.12Å; A140-D142 VanDerWaalsContact CB-OD1 3.27Å; A140-D142 WeakPolarHBondContact CB-OD1 3.35Å; A140-D142 PolarHBondContact O-N 2.96Å; A140-D142 VanDerWaalsContact O-N 3.13Å; D142-F144 VanDerWaalsContact C-N 3.31Å; D142-F144 WeakPolarHBondContact O-CD2 3.41Å; D142-F144 PolarHBondContact O-N 3.35Å; D142-F144 PolarHBondContact OD1-N 2.97Å; D142-R158 IonicContact OD1-NH2 3.36Å; D142-R158 PolarHBondContact OD1-NH2 3.14Å; D142-R158 IonicContact OD2-CZ 3.81Å; D142-R158 IonicContact OD2-NH2 2.64Å; D142-R158 PolarHBondContact OD2-NH2 3.04Å
143	N	96.2	Very high	97.1	Very high	33 Å²	33	39.2 Å²	39.2	18%	0.176	19%	0.187	C	C	.	.	S	Bend	trans	76.9	6.6	177	-55.3	-25.4	0	0	0	115.4	A140 K141 Y160 I161 C162 D164	A140-N143 PolarHBondContact O-N 2.93Å; K141-N143 VanDerWaalsContact C-N 3.26Å; N143-Y160 HydrophobicContact CB-CD2 4.01Å; N143-Y160 HydrophobicContact CB-CE2 3.51Å; N143-I161 PolarHBondContact O-N 2.94Å; N143-C162 WeakPolarHBondContact CB-O 3.27Å; N143-D164 WeakPolarHBondContact OD1-CA 3.17Å; N143-D164 PolarHBondContact OD1-N 2.95Å
144	F	97	Very high	97.1	Very high	58 Å²	58	41.2 Å²	41.2	25%	0.254	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153	177.1	-69.9	-105.6	0	0	0	112.3	A140 D142 R158 Q159 Y160	A140-F144 PolarHBondContact N-O 2.9Å; D142-F144 VanDerWaalsContact C-N 3.31Å; D142-F144 WeakPolarHBondContact O-CD2 3.41Å; D142-F144 PolarHBondContact O-N 3.35Å; D142-F144 PolarHBondContact OD1-N 2.97Å; F144-R158 HydrophobicContact CB-CG 3.99Å; F144-R158 HydrophobicContact CD1-CG 3.89Å; F144-R158 VanDerWaalsContact CE1-NH1 3.35Å; F144-R158 HydrophobicContact CG-CG 4.26Å; F144-R158 VanDerWaalsContact CG-NH1 3.31Å; F144-R158 VanDerWaalsContact CG-NH2 3.29Å; F144-Q159 CarbonylContact C-O 3.57Å; F144-Q159 VanDerWaalsContact CA-O 3.27Å; F144-Q159 WeakPolarHBondContact CA-O 3.22Å; F144-Y160 HydrophobicContact CD2-CD2 4.36Å; F144-Y160 AromaticContact CE2-CD2 3.93Å; F144-Y160 HydrophobicContact CE2-CD2 3.93Å; F144-Y160 HydrophobicContact CZ-CD2 4.04Å
145	A	96.5	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.1	159.6	0	0	0	0	0	110.7	V138 F147 R158 Q159 I161 I168	V138-A145 CarbonylContact O-C 3.59Å; V138-A145 WeakPolarHBondContact O-CA 3.28Å; A145-F147 HydrophobicContact CB-CE2 3.95Å; A145-F147 HydrophobicContact CB-CZ 3.86Å; A145-R158 CarbonylContact O-C 3.55Å; A145-R158 WeakPolarHBondContact O-CA 3.34Å; A145-Q159 PolarHBondContact N-O 3.4Å; A145-Q159 PolarHBondContact O-N 3.24Å; A145-I161 HydrophobicContact CB-CD1 3.95Å; A145-I161 HydrophobicContact CB-CG1 3.55Å; A145-I168 HydrophobicContact CB-CD1 4.36Å
146	S	97.6	Very high	97.2	Very high	10 Å²	10	46.5 Å²	46.5	7%	0.07	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.1	171.5	-64.8	0	0	0	0	110.1	G137 V138 R157	G137-S146 CarbonylContact C-O 3.55Å; G137-S146 WeakPolarHBondContact CA-O 3.22Å; V138-S146 PolarHBondContact N-O 2.82Å; V138-S146 PolarHBondContact O-N 2.89Å; S146-R157 CarbonylContact C-O 3.57Å; S146-R157 WeakPolarHBondContact CA-O 3.38Å
147	F	97	Very high	97.1	Very high	23 Å²	23	53.5 Å²	53.5	10%	0.101	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.3	-178.1	-57.3	-86.2	0	0	0	109.2	V135 L136 A145 L156 R157 Q159 W170 L177	V135-F147 HydrophobicContact CG1-CB 3.99Å; V135-F147 HydrophobicContact CG1-CD1 4.27Å; L136-F147 CarbonylContact O-C 3.49Å; L136-F147 WeakPolarHBondContact O-CA 3.15Å; A145-F147 HydrophobicContact CB-CE2 3.95Å; A145-F147 HydrophobicContact CB-CZ 3.86Å; F147-L156 HydrophobicContact CB-CB 4.39Å; F147-L156 WeakPolarHBondContact O-CB 3.22Å; F147-L156 PolarHBondContact O-N 2.9Å; F147-R157 HydrophobicContact CD2-CB 4.1Å; F147-R157 PolarHBondContact N-O 3.24Å; F147-R157 PolarHBondContact O-N 3Å; F147-Q159 HydrophobicContact CE2-CB 4.38Å; F147-W170 HydrophobicContact CD1-CH2 4.09Å; F147-W170 AromaticContact CD1-CZ2 3.72Å; F147-W170 HydrophobicContact CD1-CZ2 3.72Å; F147-W170 AromaticContact CE1-CH2 3.7Å; F147-W170 HydrophobicContact CE1-CH2 3.7Å; F147-W170 AromaticContact CE1-CZ2 3.45Å; F147-W170 HydrophobicContact CE1-CZ2 3.45Å; F147-W170 VanDerWaalsContact CE1-CZ2 3.45Å; F147-L177 HydrophobicContact CE1-CD2 4.32Å; F147-L177 HydrophobicContact CZ-CD2 3.96Å
148	F	98.3	Very high	97.1	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.6	-175	-55.2	-87.4	0	0	0	110.7	I104 L118 T120 V135 L136 V138 A150 A154 T155	I104-F148 HydrophobicContact CD1-CD2 3.91Å; I104-F148 HydrophobicContact CD1-CE2 3.28Å; I104-F148 HydrophobicContact CD1-CZ 3.75Å; L118-F148 HydrophobicContact CB-CE1 4.42Å; L118-F148 HydrophobicContact CD2-CB 3.77Å; L118-F148 HydrophobicContact CD2-CD1 3.35Å; L118-F148 HydrophobicContact CD2-CD2 4.15Å; L118-F148 HydrophobicContact CD2-CE1 3.91Å; L118-F148 HydrophobicContact CD2-CG 3.48Å; L118-F148 VanDerWaalsContact CD2-CG 3.48Å; T120-F148 HydrophobicContact CG2-CE2 4.47Å; T120-F148 HydrophobicContact CG2-CZ 4.01Å; V135-F148 CarbonylContact C-O 3.45Å; V135-F148 VanDerWaalsContact CA-O 3.28Å; V135-F148 WeakPolarHBondContact CA-O 3.31Å; L136-F148 HydrophobicContact CB-CB 4.44Å; L136-F148 PolarHBondContact N-O 3.39Å; L136-F148 PolarHBondContact O-N 2.98Å; V138-F148 HydrophobicContact CG2-CE2 4.38Å; F148-A150 PolarHBondContact O-N 2.7Å; F148-A154 VanDerWaalsContact CA-O 3.31Å; F148-A154 WeakPolarHBondContact CA-O 3.31Å; F148-T155 HydrophobicContact CE1-CG2 4.21Å; F148-T155 WeakPolarHBondContact CE1-OG1 3.07Å
149	D	97.6	Very high	96.9	Very high	39 Å²	39	60.6 Å²	60.6	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.3	172.5	-175.6	-61.3	0	0	0	109.8	R151 N152 W153 A154 L156	D149-R151 VanDerWaalsContact C-N 3.27Å; D149-R151 PolarHBondContact O-N 3.25Å; D149-R151 WeakPolarHBondContact OD1-CA 3.35Å; D149-R151 VanDerWaalsContact OD1-CB 3.23Å; D149-R151 WeakPolarHBondContact OD1-CB 3.24Å; D149-R151 PolarHBondContact OD1-N 2.84Å; D149-N152 WeakPolarHBondContact CB-OD1 3.36Å; D149-N152 PolarHBondContact OD1-N 3.02Å; D149-W153 WeakPolarHBondContact O-CA 3.16Å; D149-W153 PolarHBondContact O-N 3.39Å; D149-A154 PolarHBondContact N-O 2.76Å; D149-L156 HydrophobicContact CB-CD1 4.15Å; D149-L156 HydrophobicContact CB-CD2 4.08Å; D149-L156 HydrophobicContact CB-CG 4.1Å
150	A	96.8	Very high	96.8	Very high	19 Å²	19	65.4 Å²	65.4	16%	0.157	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.2	-175.8	0	0	0	0	0	114.2	W129 G133 T134 F148	W129-A150 HydrophobicContact CH2-CB 4.44Å; W129-A150 HydrophobicContact CZ3-CB 3.67Å; G133-A150 WeakPolarHBondContact O-CB 3.17Å; T134-A150 WeakPolarHBondContact O-CB 3.07Å; T134-A150 PolarHBondContact O-N 3Å; F148-A150 PolarHBondContact O-N 2.7Å
151	R	96.2	Very high	96.6	Very high	216 Å²	216	65.5 Å²	65.5	82%	0.815	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-37.4	-175.8	-59.4	177	174.7	174.1	-0.6	111.7	D149	D149-R151 VanDerWaalsContact C-N 3.27Å; D149-R151 PolarHBondContact O-N 3.25Å; D149-R151 WeakPolarHBondContact OD1-CA 3.35Å; D149-R151 VanDerWaalsContact OD1-CB 3.23Å; D149-R151 WeakPolarHBondContact OD1-CB 3.24Å; D149-R151 PolarHBondContact OD1-N 2.84Å
152	N	96.9	Very high	96.4	Very high	104 Å²	104	60.4 Å²	60.4	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	1.1	-175.2	66.8	18.3	0	0	0	114.2	D149 A154	D149-N152 WeakPolarHBondContact CB-OD1 3.36Å; D149-N152 PolarHBondContact OD1-N 3.02Å; N152-A154 PolarHBondContact O-N 3.43Å; N152-A154 VanDerWaalsContact O-N 3.16Å; N152-A154 WeakPolarHBondContact OD1-CB 3.26Å; N152-A154 PolarHBondContact OD1-N 2.99Å
153	W	97.2	Very high	96.3	Very high	68 Å²	68	64.7 Å²	64.7	26%	0.258	30%	0.303	S	S	.	.			trans	60.6	18.1	179.5	-50.4	113	0	0	0	114.9	V106 A116 L118 W129 L136 D149	V106-W153 HydrophobicContact CB-CH2 4.06Å; V106-W153 HydrophobicContact CB-CZ2 4.13Å; V106-W153 HydrophobicContact CG1-CH2 3.74Å; V106-W153 HydrophobicContact CG1-CZ2 3.87Å; V106-W153 HydrophobicContact CG2-CE3 4.39Å; V106-W153 HydrophobicContact CG2-CH2 3.51Å; V106-W153 HydrophobicContact CG2-CZ2 3.96Å; V106-W153 HydrophobicContact CG2-CZ3 3.77Å; A116-W153 HydrophobicContact CB-CD2 3.89Å; A116-W153 HydrophobicContact CB-CG 3.9Å; A116-W153 HydrophobicContact CB-CZ2 4.14Å; L118-W153 HydrophobicContact CD1-CB 4.39Å; L118-W153 HydrophobicContact CD1-CD2 4.33Å; L118-W153 HydrophobicContact CD1-CE3 4.17Å; L118-W153 HydrophobicContact CD1-CG 4.44Å; L118-W153 HydrophobicContact CD2-CB 3.91Å; L118-W153 HydrophobicContact CD2-CE3 4.12Å; L118-W153 HydrophobicContact CG-CB 4.11Å; W129-W153 AromaticContact CH2-CH2 3.69Å; W129-W153 HydrophobicContact CH2-CH2 3.69Å; W129-W153 AromaticContact CH2-CZ3 3.86Å; W129-W153 HydrophobicContact CH2-CZ3 3.86Å; W129-W153 HydrophobicContact CZ3-CZ3 4.39Å; L136-W153 HydrophobicContact CD2-CZ3 4.43Å; D149-W153 WeakPolarHBondContact O-CA 3.16Å; D149-W153 PolarHBondContact O-N 3.39Å
154	A	97.5	Very high	96.2	Very high	45 Å²	45	67.2 Å²	67.2	37%	0.372	32%	0.317	S	S	.	.			trans	-68.7	139.5	175.2	0	0	0	0	0	110.8	F148 D149 N152 L156	F148-A154 VanDerWaalsContact CA-O 3.31Å; F148-A154 WeakPolarHBondContact CA-O 3.31Å; D149-A154 PolarHBondContact N-O 2.76Å; N152-A154 PolarHBondContact O-N 3.43Å; N152-A154 VanDerWaalsContact O-N 3.16Å; N152-A154 WeakPolarHBondContact OD1-CB 3.26Å; N152-A154 PolarHBondContact OD1-N 2.99Å; A154-L156 PolarHBondContact O-N 2.77Å
155	T	97.4	Very high	96.2	Very high	92 Å²	92	64.7 Å²	64.7	56%	0.564	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	116.5	171	-53.3	0	0	0	0	109.4	F148	F148-T155 HydrophobicContact CE1-CG2 4.21Å; F148-T155 WeakPolarHBondContact CE1-OG1 3.07Å
156	L	97.2	Very high	96.1	Very high	95 Å²	95	67.5 Å²	67.5	50%	0.497	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-45.2	176.8	-65.7	173.2	0	0	0	111.4	V135 F147 D149 A154	V135-L156 HydrophobicContact CG1-CD1 4.14Å; V135-L156 HydrophobicContact CG2-CD1 3.76Å; F147-L156 HydrophobicContact CB-CB 4.39Å; F147-L156 WeakPolarHBondContact O-CB 3.22Å; F147-L156 PolarHBondContact O-N 2.9Å; D149-L156 HydrophobicContact CB-CD1 4.15Å; D149-L156 HydrophobicContact CB-CD2 4.08Å; D149-L156 HydrophobicContact CB-CG 4.1Å; A154-L156 PolarHBondContact O-N 2.77Å
157	R	96.1	Very high	95.9	Very high	147 Å²	147	67.8 Å²	67.8	56%	0.555	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.8	147	-175.9	-173.3	171.4	-176.3	167.7	2.5	111	S146 F147 Q159	S146-R157 CarbonylContact C-O 3.57Å; S146-R157 WeakPolarHBondContact CA-O 3.38Å; F147-R157 HydrophobicContact CD2-CB 4.1Å; F147-R157 PolarHBondContact N-O 3.24Å; F147-R157 PolarHBondContact O-N 3Å; R157-Q159 HydrophobicContact CG-CB 4.28Å
158	R	96.2	Very high	95.9	Very high	87 Å²	87	66.7 Å²	66.7	33%	0.328	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.5	159.2	-174.7	171.7	177.6	-83.8	1.5	107.9	D142 F144 A145	D142-R158 IonicContact OD1-NH2 3.36Å; D142-R158 PolarHBondContact OD1-NH2 3.14Å; D142-R158 IonicContact OD2-CZ 3.81Å; D142-R158 IonicContact OD2-NH2 2.64Å; D142-R158 PolarHBondContact OD2-NH2 3.04Å; F144-R158 HydrophobicContact CB-CG 3.99Å; F144-R158 HydrophobicContact CD1-CG 3.89Å; F144-R158 VanDerWaalsContact CE1-NH1 3.35Å; F144-R158 HydrophobicContact CG-CG 4.26Å; F144-R158 VanDerWaalsContact CG-NH1 3.31Å; F144-R158 VanDerWaalsContact CG-NH2 3.29Å; A145-R158 CarbonylContact O-C 3.55Å; A145-R158 WeakPolarHBondContact O-CA 3.34Å
159	Q	94.8	Very high	95.7	Very high	63 Å²	63	71 Å²	71	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.7	-170.3	178.9	54.8	56.8	0	0	109.9	F144 A145 F147 R157 I161	F144-Q159 CarbonylContact C-O 3.57Å; F144-Q159 VanDerWaalsContact CA-O 3.27Å; F144-Q159 WeakPolarHBondContact CA-O 3.22Å; A145-Q159 PolarHBondContact N-O 3.4Å; A145-Q159 PolarHBondContact O-N 3.24Å; F147-Q159 HydrophobicContact CE2-CB 4.38Å; R157-Q159 HydrophobicContact CG-CB 4.28Å; Q159-I161 HydrophobicContact CB-CD1 4.36Å; Q159-I161 HydrophobicContact CG-CD1 4.08Å; Q159-I161 PolarHBondContact O-N 3.1Å
160	Y	95.1	Very high	95.5	Very high	101 Å²	101	71.9 Å²	71.9	40%	0.396	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.2	168.2	-179.1	-89.1	0	0	0	108.4	N143 F144 E163	N143-Y160 HydrophobicContact CB-CD2 4.01Å; N143-Y160 HydrophobicContact CB-CE2 3.51Å; F144-Y160 HydrophobicContact CD2-CD2 4.36Å; F144-Y160 AromaticContact CE2-CD2 3.93Å; F144-Y160 HydrophobicContact CE2-CD2 3.93Å; F144-Y160 HydrophobicContact CZ-CD2 4.04Å; Y160-E163 PolarHBondContact OH-N 3.44Å
161	I	93.2	Very high	95.3	Very high	8 Å²	8	73.3 Å²	73.3	4%	0.041	34%	0.342	C	S	.	.			trans	-104.1	-76.2	-178.5	-59	-58	0	0	0	108.7	N143 A145 Q159 L165 L177 C179 Y189	N143-I161 PolarHBondContact O-N 2.94Å; A145-I161 HydrophobicContact CB-CD1 3.95Å; A145-I161 HydrophobicContact CB-CG1 3.55Å; Q159-I161 HydrophobicContact CB-CD1 4.36Å; Q159-I161 HydrophobicContact CG-CD1 4.08Å; Q159-I161 PolarHBondContact O-N 3.1Å; I161-L165 HydrophobicContact CB-CD1 4.42Å; I161-L165 HydrophobicContact CB-CD2 4.19Å; I161-L165 HydrophobicContact CG1-CD2 4.23Å; I161-L165 HydrophobicContact CG2-CD1 3.96Å; I161-L177 HydrophobicContact CD1-CD2 4.49Å; I161-C179 HydrophobicContact CG2-CB 3.58Å; I161-C179 WeakPolarHBondContact CG2-SG 3.35Å; I161-Y189 HydrophobicContact CG2-CE2 3.78Å; I161-Y189 PolarHBondContact O-OH 2.84Å
162	C	93.2	Very high	94.8	Very high	8 Å²	8	72.7 Å²	72.7	5%	0.054	35%	0.345	C	S	.	.			trans	-154.7	157.8	-177.2	64.3	0	0	0	0	109.9	N143 I187	N143-C162 WeakPolarHBondContact CB-O 3.27Å; C162-I187 HydrophobicContact CB-CD1 3.18Å
163	E	94.8	Very high	94.3	Very high	140 Å²	140	78.2 Å²	78.2	65%	0.654	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	139	172.7	-171	170.7	-169.2	0	0	110.2	Y160 L165 N181	Y160-E163 PolarHBondContact OH-N 3.44Å; E163-L165 PolarHBondContact O-N 3.03Å; E163-N181 WeakPolarHBondContact O-CB 3.38Å
164	D	94.3	Very high	93.6	Very high	86 Å²	86	77 Å²	77	46%	0.46	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	46.3	179.9	-163.3	22	0	0	0	113.8	N143 T166 N181 G182	N143-D164 WeakPolarHBondContact OD1-CA 3.17Å; N143-D164 PolarHBondContact OD1-N 2.95Å; D164-T166 PolarHBondContact O-N 2.86Å; D164-N181 CarbonylContact O-C 3.48Å; D164-N181 WeakPolarHBondContact O-CA 3.43Å; D164-N181 VanDerWaalsContact O-CB 3.24Å; D164-N181 WeakPolarHBondContact O-CB 3.33Å; D164-G182 PolarHBondContact O-N 2.95Å; D164-G182 WeakPolarHBondContact OD2-CA 3.43Å; D164-G182 PolarHBondContact OD2-N 2.82Å
165	L	95.4	Very high	92.7	Very high	4 Å²	4	77.7 Å²	77.7	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	120.8	179.6	177.3	65.5	0	0	0	111.9	I161 E163 I168 C179	I161-L165 HydrophobicContact CB-CD1 4.42Å; I161-L165 HydrophobicContact CB-CD2 4.19Å; I161-L165 HydrophobicContact CG1-CD2 4.23Å; I161-L165 HydrophobicContact CG2-CD1 3.96Å; E163-L165 PolarHBondContact O-N 3.03Å; L165-I168 HydrophobicContact CD1-CG2 3.88Å; L165-I168 HydrophobicContact CD2-CG2 4.15Å; L165-I168 HydrophobicContact CG-CG2 4.47Å; L165-C179 HydrophobicContact CD1-CB 3.91Å
166	T	95	Very high	92	Very high	59 Å²	59	74.8 Å²	74.8	36%	0.362	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-38.9	-179.7	51.7	0	0	0	0	113.4	D164 T180	D164-T166 PolarHBondContact O-N 2.86Å; T166-T180 PolarHBondContact N-O 3.19Å; T166-T180 VanDerWaalsContact OG1-C 3.26Å; T166-T180 PolarHBondContact OG1-O 3.13Å; T166-T180 PolarHBondContact OG1-OG1 3.39Å
167	S	94.8	Very high	91.6	Very high	16 Å²	16	70.8 Å²	70.8	11%	0.112	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.3	-178.9	78.1	0	0	0	0	112.4	C126 Y169 C179 T180	C126-S167 VanDerWaalsContact SG-CA 3.56Å; S167-Y169 WeakPolarHBondContact OG-CE2 3.43Å; S167-C179 CarbonylContact O-C 3.5Å; S167-C179 VanDerWaalsContact O-CA 3.26Å; S167-C179 WeakPolarHBondContact O-CA 3.35Å; S167-T180 PolarHBondContact N-OG1 2.79Å; S167-T180 PolarHBondContact O-N 2.91Å; S167-T180 PolarHBondContact OG-OG1 2.86Å
168	I	95.4	Very high	91.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	172	65.2	177	0	0	0	109.7	N128 A145 L165 L177 L178 C179	N128-I168 PolarHBondContact ND2-O 2.64Å; A145-I168 HydrophobicContact CB-CD1 4.36Å; L165-I168 HydrophobicContact CD1-CG2 3.88Å; L165-I168 HydrophobicContact CD2-CG2 4.15Å; L165-I168 HydrophobicContact CG-CG2 4.47Å; I168-L177 HydrophobicContact CB-CD1 4.13Å; I168-L178 CarbonylContact C-O 3.57Å; I168-L178 VanDerWaalsContact CA-O 3.31Å; I168-L178 WeakPolarHBondContact CA-O 3.18Å; I168-C179 HydrophobicContact CG2-CB 4.43Å
169	Y	94.2	Very high	91.1	Very high	93 Å²	93	62.5 Å²	62.5	37%	0.365	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	133.3	-179.5	-67.9	-78.8	0	0	0	111.4	S167 L178	S167-Y169 WeakPolarHBondContact OG-CE2 3.43Å; Y169-L178 PolarHBondContact N-O 2.88Å; Y169-L178 PolarHBondContact O-N 2.78Å
170	W	93.9	Very high	91	Very high	59 Å²	59	61.2 Å²	61.2	22%	0.223	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.3	171.1	-57.3	96.7	0	0	0	110.4	T130 P131 F147 L177	T130-W170 HydrophobicContact CG2-CD2 3.79Å; T130-W170 VanDerWaalsContact CG2-CE2 3.47Å; T130-W170 HydrophobicContact CG2-CE3 4.23Å; T130-W170 HydrophobicContact CG2-CG 4.26Å; T130-W170 HydrophobicContact CG2-CH2 4.09Å; T130-W170 HydrophobicContact CG2-CZ2 3.62Å; T130-W170 HydrophobicContact CG2-CZ3 4.37Å; P131-W170 HydrophobicContact CG-CB 4.16Å; F147-W170 HydrophobicContact CD1-CH2 4.09Å; F147-W170 AromaticContact CD1-CZ2 3.72Å; F147-W170 HydrophobicContact CD1-CZ2 3.72Å; F147-W170 AromaticContact CE1-CH2 3.7Å; F147-W170 HydrophobicContact CE1-CH2 3.7Å; F147-W170 AromaticContact CE1-CZ2 3.45Å; F147-W170 HydrophobicContact CE1-CZ2 3.45Å; F147-W170 VanDerWaalsContact CE1-CZ2 3.45Å; W170-L177 HydrophobicContact CD2-CD1 3.78Å; W170-L177 HydrophobicContact CE3-CB 4.22Å; W170-L177 HydrophobicContact CE3-CD1 3.95Å; W170-L177 HydrophobicContact CG-CD1 4.34Å; W170-L177 HydrophobicContact CH2-CD1 4.24Å; W170-L177 HydrophobicContact CZ2-CD1 4.08Å; W170-L177 HydrophobicContact CZ3-CB 4.17Å; W170-L177 HydrophobicContact CZ3-CD1 4.17Å
171	N	91.8	Very high	90.8	Very high	48 Å²	48	56.9 Å²	56.9	26%	0.257	28%	0.283	S	S	.	.			trans	-66.5	159.3	162.5	79.4	-16.1	0	0	0	110	P131 R173 A174 A175 V176	P131-N171 WeakPolarHBondContact CG-O 3.03Å; N171-R173 PolarHBondContact O-N 3.46Å; N171-R173 PolarHBondContact OD1-N 3.36Å; N171-A174 PolarHBondContact O-N 2.78Å; N171-A174 PolarHBondContact OD1-N 2.84Å; N171-A175 PolarHBondContact OD1-N 3.28Å; N171-V176 HydrophobicContact CB-CB 4.11Å; N171-V176 PolarHBondContact N-O 3.38Å; N171-V176 PolarHBondContact OD1-N 2.86Å; N171-V176 VanDerWaalsContact OD1-N 3.1Å
172	K	87.4	Confident	90.6	Very high	203 Å²	203	58.8 Å²	58.8	88%	0.883	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-16.5	-177.5	-66.8	-173.2	177.9	-179.1	0	115	P131	P131-K172 WeakPolarHBondContact CB-O 3.14Å
173	R	86.5	Confident	90.5	Very high	220 Å²	220	63.7 Å²	63.7	83%	0.83	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	1.2	178.3	-65.6	-175.9	179.4	172.1	-0.3	113.5	N171 A175	N171-R173 PolarHBondContact O-N 3.46Å; N171-R173 PolarHBondContact OD1-N 3.36Å; R173-A175 HydrophobicContact CB-CB 4.37Å; R173-A175 PolarHBondContact O-N 2.83Å
174	A	81.4	Confident	90.3	Very high	42 Å²	42	60.2 Å²	60.2	35%	0.347	34%	0.336	S	S	.	.	S	Bend	trans	57.2	13.6	-173.8	0	0	0	0	0	114.9	P131 N171	P131-A174 HydrophobicContact CG-CB 4.11Å; N171-A174 PolarHBondContact O-N 2.78Å; N171-A174 PolarHBondContact OD1-N 2.84Å
175	A	79.6	Confident	90.2	Very high	61 Å²	61	61.2 Å²	61.2	50%	0.504	34%	0.338	S	S	.	.	S	Bend	trans	-90.8	-16.7	-175.3	0	0	0	0	0	113	N171 R173	N171-A175 PolarHBondContact OD1-N 3.28Å; R173-A175 HydrophobicContact CB-CB 4.37Å; R173-A175 PolarHBondContact O-N 2.83Å
176	V	82.8	Confident	90	Very high	30 Å²	30	65.6 Å²	65.6	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.7	-175.7	178.8	0	0	0	0	109.2	N171 L178 I188 Y189 K190	N171-V176 HydrophobicContact CB-CB 4.11Å; N171-V176 PolarHBondContact N-O 3.38Å; N171-V176 PolarHBondContact OD1-N 2.86Å; N171-V176 VanDerWaalsContact OD1-N 3.1Å; V176-L178 HydrophobicContact CG1-CD2 4.16Å; V176-L178 HydrophobicContact CG1-CG 4.41Å; V176-I188 HydrophobicContact CG1-CG2 3.39Å; V176-Y189 VanDerWaalsContact CA-O 3.31Å; V176-Y189 WeakPolarHBondContact CA-O 3.27Å; V176-K190 HydrophobicContact CG2-CB 4.25Å
177	L	88	Confident	89.8	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.5	166.8	-177.1	74.7	0	0	0	108.2	F147 I161 I168 W170 Y189	F147-L177 HydrophobicContact CE1-CD2 4.32Å; F147-L177 HydrophobicContact CZ-CD2 3.96Å; I161-L177 HydrophobicContact CD1-CD2 4.49Å; I168-L177 HydrophobicContact CB-CD1 4.13Å; W170-L177 HydrophobicContact CD2-CD1 3.78Å; W170-L177 HydrophobicContact CE3-CB 4.22Å; W170-L177 HydrophobicContact CE3-CD1 3.95Å; W170-L177 HydrophobicContact CG-CD1 4.34Å; W170-L177 HydrophobicContact CH2-CD1 4.24Å; W170-L177 HydrophobicContact CZ2-CD1 4.08Å; W170-L177 HydrophobicContact CZ3-CB 4.17Å; W170-L177 HydrophobicContact CZ3-CD1 4.17Å; L177-Y189 PolarHBondContact N-O 3.45Å; L177-Y189 PolarHBondContact O-N 3.31Å
178	L	90.5	Very high	89.6	Confident	60 Å²	60	69.2 Å²	69.2	31%	0.314	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.8	170.6	-62.9	174.4	0	0	0	108.4	I168 Y169 V176 V186 I187 I188	I168-L178 CarbonylContact C-O 3.57Å; I168-L178 VanDerWaalsContact CA-O 3.31Å; I168-L178 WeakPolarHBondContact CA-O 3.18Å; Y169-L178 PolarHBondContact N-O 2.88Å; Y169-L178 PolarHBondContact O-N 2.78Å; V176-L178 HydrophobicContact CG1-CD2 4.16Å; V176-L178 HydrophobicContact CG1-CG 4.41Å; L178-V186 HydrophobicContact CD2-CG1 4.41Å; L178-I187 CarbonylContact C-O 3.58Å; L178-I187 WeakPolarHBondContact CA-O 3.17Å; L178-I188 HydrophobicContact CD2-CB 4.15Å; L178-I188 HydrophobicContact CD2-CD1 3.93Å; L178-I188 HydrophobicContact CD2-CG1 3.57Å; L178-I188 HydrophobicContact CD2-CG2 4.01Å
179	C	90.9	Very high	89.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.5	176.4	-52.4	0	0	0	0	109.1	I161 L165 S167 I168 V186 I187	I161-C179 HydrophobicContact CG2-CB 3.58Å; I161-C179 WeakPolarHBondContact CG2-SG 3.35Å; L165-C179 HydrophobicContact CD1-CB 3.91Å; S167-C179 CarbonylContact O-C 3.5Å; S167-C179 VanDerWaalsContact O-CA 3.26Å; S167-C179 WeakPolarHBondContact O-CA 3.35Å; I168-C179 HydrophobicContact CG2-CB 4.43Å; C179-V186 CarbonylContact O-C 3.58Å; C179-V186 WeakPolarHBondContact O-CA 3.14Å; C179-I187 HydrophobicContact CB-CB 4.49Å; C179-I187 PolarHBondContact N-O 3.47Å; C179-I187 PolarHBondContact O-N 3.29Å
180	T	92.3	Very high	88.6	Confident	35 Å²	35	76.2 Å²	76.2	22%	0.215	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154	174.3	61.6	0	0	0	0	110.2	T166 S167 E185 V186	T166-T180 PolarHBondContact N-O 3.19Å; T166-T180 VanDerWaalsContact OG1-C 3.26Å; T166-T180 PolarHBondContact OG1-O 3.13Å; T166-T180 PolarHBondContact OG1-OG1 3.39Å; S167-T180 PolarHBondContact N-OG1 2.79Å; S167-T180 PolarHBondContact O-N 2.91Å; S167-T180 PolarHBondContact OG-OG1 2.86Å; T180-E185 WeakPolarHBondContact CA-O 3.3Å; T180-V186 HydrophobicContact CG2-CG2 4.22Å
181	N	91.6	Very high	87.7	Confident	10 Å²	10	83.9 Å²	83.9	5%	0.053	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	169	171.6	61.4	14	0	0	0	112.7	E163 D164 V183 G184 E185	E163-N181 WeakPolarHBondContact O-CB 3.38Å; D164-N181 CarbonylContact O-C 3.48Å; D164-N181 WeakPolarHBondContact O-CA 3.43Å; D164-N181 VanDerWaalsContact O-CB 3.24Å; D164-N181 WeakPolarHBondContact O-CB 3.33Å; N181-V183 HydrophobicContact CB-CG2 4.48Å; N181-V183 WeakPolarHBondContact ND2-CG2 3.39Å; N181-V183 PolarHBondContact O-N 2.86Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.31Å; N181-G184 PolarHBondContact O-N 2.8Å; N181-G184 PolarHBondContact OD1-N 2.93Å; N181-E185 PolarHBondContact N-O 2.79Å; N181-E185 PolarHBondContact ND2-OE2 3.27Å; N181-E185 VanDerWaalsContact OD1-CB 3.3Å; N181-E185 WeakPolarHBondContact OD1-CB 3.05Å; N181-E185 PolarHBondContact OD1-N 3.38Å
182	G	89.4	Confident	86.7	Confident	48 Å²	48	85.3 Å²	85.3	50%	0.495	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.1	-178.6	0	0	0	0	0	114.9	D164	D164-G182 PolarHBondContact O-N 2.95Å; D164-G182 WeakPolarHBondContact OD2-CA 3.43Å; D164-G182 PolarHBondContact OD2-N 2.82Å
183	V	90.8	Very high	85.8	Confident	111 Å²	111	82.7 Å²	82.7	67%	0.673	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1.8	173.3	-61.4	0	0	0	0	113.6	N181 E185	N181-V183 HydrophobicContact CB-CG2 4.48Å; N181-V183 WeakPolarHBondContact ND2-CG2 3.39Å; N181-V183 PolarHBondContact O-N 2.86Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.31Å; V183-E185 HydrophobicContact CG2-CG 4.09Å
184	G	89.9	Confident	83.9	Confident	68 Å²	68	83.1 Å²	83.1	70%	0.701	47%	0.471	S	S	*	.	S	Bend	trans	90.6	17.7	172.7	0	0	0	0	0	115.1	N181	N181-G184 PolarHBondContact O-N 2.8Å; N181-G184 PolarHBondContact OD1-N 2.93Å
185	E	92.6	Very high	84	Confident	107 Å²	107	85.2 Å²	85.2	50%	0.5	48%	0.477	S	S	.	.			trans	-88.9	151.2	175.3	-58.8	175.5	139.9	0	0	111.8	T180 N181 V183	T180-E185 WeakPolarHBondContact CA-O 3.3Å; N181-E185 PolarHBondContact N-O 2.79Å; N181-E185 PolarHBondContact ND2-OE2 3.27Å; N181-E185 VanDerWaalsContact OD1-CB 3.3Å; N181-E185 WeakPolarHBondContact OD1-CB 3.05Å; N181-E185 PolarHBondContact OD1-N 3.38Å; V183-E185 HydrophobicContact CG2-CG 4.09Å
186	V	92.2	Very high	84.2	Confident	95 Å²	95	86.5 Å²	86.5	58%	0.576	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.2	168.7	-175.6	0	0	0	0	108.3	L178 C179 T180	L178-V186 HydrophobicContact CD2-CG1 4.41Å; C179-V186 CarbonylContact O-C 3.58Å; C179-V186 WeakPolarHBondContact O-CA 3.14Å; T180-V186 HydrophobicContact CG2-CG2 4.22Å
187	I	90.9	Very high	84.3	Confident	45 Å²	45	89.6 Å²	89.6	23%	0.231	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.4	-176.3	-61	166.4	0	0	0	109	C162 L178 C179 Y189	C162-I187 HydrophobicContact CB-CD1 3.18Å; L178-I187 CarbonylContact C-O 3.58Å; L178-I187 WeakPolarHBondContact CA-O 3.17Å; C179-I187 HydrophobicContact CB-CB 4.49Å; C179-I187 PolarHBondContact N-O 3.47Å; C179-I187 PolarHBondContact O-N 3.29Å; I187-Y189 HydrophobicContact CG2-CD2 4.01Å; I187-Y189 HydrophobicContact CG2-CE2 3.48Å; I187-Y189 VanDerWaalsContact CG2-CE2 3.48Å
188	I	89.5	Confident	84.1	Confident	106 Å²	106	94.2 Å²	94.2	54%	0.544	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.5	-174.6	-49.8	-167.7	0	0	0	109.6	V176 L178	V176-I188 HydrophobicContact CG1-CG2 3.39Å; L178-I188 HydrophobicContact CD2-CB 4.15Å; L178-I188 HydrophobicContact CD2-CD1 3.93Å; L178-I188 HydrophobicContact CD2-CG1 3.57Å; L178-I188 HydrophobicContact CD2-CG2 4.01Å
189	Y	85.1	Confident	83.7	Confident	91 Å²	91	96.3 Å²	96.3	36%	0.357	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.2	169.3	-71.6	-94	0	0	0	109.3	I161 V176 L177 I187	I161-Y189 HydrophobicContact CG2-CE2 3.78Å; I161-Y189 PolarHBondContact O-OH 2.84Å; V176-Y189 VanDerWaalsContact CA-O 3.31Å; V176-Y189 WeakPolarHBondContact CA-O 3.27Å; L177-Y189 PolarHBondContact N-O 3.45Å; L177-Y189 PolarHBondContact O-N 3.31Å; I187-Y189 HydrophobicContact CG2-CD2 4.01Å; I187-Y189 HydrophobicContact CG2-CE2 3.48Å; I187-Y189 VanDerWaalsContact CG2-CE2 3.48Å
190	K	83	Confident	83.2	Confident	150 Å²	150	102.7 Å²	102.7	65%	0.652	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.6	155.5	172.1	62.1	-177.1	-180	-178.2	0	109.5	V176 A192	V176-K190 HydrophobicContact CG2-CB 4.25Å; K190-A192 PolarHBondContact O-N 3.33Å
191	R	75.7	Confident	82.6	Confident	220 Å²	220	107.6 Å²	107.6	83%	0.83	59%	0.591	S	S	*	*			trans	-57.1	137.7	169.1	-162.6	174.6	-177.4	174.9	0.1	108.9	N193	R191-N193 PolarHBondContact O-N 2.76Å
192	A	71.2	Confident	81.9	Confident	78 Å²	78	115.1 Å²	115.1	65%	0.645	63%	0.632	S	S	*	*			trans	-57.7	131.2	170.4	0	0	0	0	0	108.5	K190 N194	K190-A192 PolarHBondContact O-N 3.33Å; A192-N194 PolarHBondContact O-N 3.18Å
193	N	68	Low	81.3	Confident	147 Å²	147	120.7 Å²	120.7	79%	0.786	64%	0.644	S	S	*	*			trans	-68.4	111.4	166.8	-67	-12.6	0	0	0	105.6	R191	R191-N193 PolarHBondContact O-N 2.76Å
194	N	46.3	Very low	80.4	Confident	230 Å²	230	121.5 Å²	121.5	100%	1.23	64%	0.641	S	S	*	*			trans	-75.6	0	158.3	-78.8	7.5	0	0	0	108.6	A192	A192-N194 PolarHBondContact O-N 3.18Å

Retrieved 194 of 194 residues in 1614 ms (Link to these results)

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