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NPC intracellular cholesterol transporter 2

Intracellular cholesterol transporter which acts in concert with NPC1 and plays an important role in the egress of cholesterol from the lysosomal compartment. Unesterified cholesterol that has been released from LDLs in the lumen of the late endosomes/lysosomes is transferred by NPC2 to the cholesterol-binding pocket in the N-terminal domain of NPC1. May bind and mobilize cholesterol that is associated with membranes. NPC2 binds cholesterol with a 1:1 stoichiometry. Can bind a variety of sterols, including lathosterol, desmosterol and the plant sterols stigmasterol and beta-sitosterol (By similarity). The secreted form of NCP2 regulates biliary cholesterol secretion via stimulation of ABCG5/ABCG8-mediated cholesterol transport (By similarity).

AlphaFold DB , UniProt , Accession P61917, Species PANTR (Pan troglodytes, Chimpanzee), Gene NPC2, Length 151 aa.

						>NPC2_PANTR|P61917|NPC2
MRFLAATFLLLALSTAAQAEPVQFKDCGSVDGVIKEVNVSPCPTQPCQLSKGQSYSVNVTFTSNIQSKSSKAVVHGILMGVPVPFPIPEPDGCKSGINCPIQKDKTYSYLNKLPVKSEYPSIKLVVEWQLQDDKNQSLFCWEIPVQIVSHL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	59.2	Low	221 Å²	221	161.5 Å²	161.5	100%	1.089	84%	0.836	S	S	*	*				0	96	0	-69.3	156.3	70.8	0	0	108.1
2	R	47.8	Very low	60	Low	251 Å²	251	155.8 Å²	155.8	95%	0.947	83%	0.83	S	S	*	*			trans	-120.1	115.7	180	-75.9	-173.1	168.5	-157	-2.7	108.1
3	F	50	Low	60.5	Low	196 Å²	196	155.3 Å²	155.3	86%	0.86	83%	0.826	S	S	*	*			trans	-75.7	113.6	178.2	-68.3	-96.7	0	0	0	109
4	L	59.6	Low	61.1	Low	172 Å²	172	152.2 Å²	152.2	90%	0.901	82%	0.823	S	S	*	*			trans	-102	104.6	162.4	-76.6	171.3	0	0	0	107.1	A6	L4-A6 PolarHBondContact O-N 3.32Å; L4-A6 VanDerWaalsContact O-N 3.14Å
5	A	56.3	Low	61.4	Low	90 Å²	90	151 Å²	151	74%	0.744	82%	0.823	S	S	*	*			trans	-63.2	105.5	178.2	0	0	0	0	0	109.9	T7	A5-T7 PolarHBondContact O-N 3.06Å; A5-T7 VanDerWaalsContact O-N 3.12Å
6	A	64.3	Low	61.7	Low	83 Å²	83	146.1 Å²	146.1	69%	0.686	81%	0.809	S	S	*	*			trans	-71.8	100.5	168.3	0	0	0	0	0	108.2	L4 F8	L4-A6 PolarHBondContact O-N 3.32Å; L4-A6 VanDerWaalsContact O-N 3.14Å; A6-F8 PolarHBondContact O-N 3.2Å; A6-F8 VanDerWaalsContact O-N 3.08Å
7	T	63.3	Low	62	Low	135 Å²	135	143.4 Å²	143.4	83%	0.828	81%	0.81	S	S	*	*			trans	-71.4	99.3	177.8	-29.7	0	0	0	0	108.5	A5 L9	A5-T7 PolarHBondContact O-N 3.06Å; A5-T7 VanDerWaalsContact O-N 3.12Å; T7-L9 PolarHBondContact O-N 2.71Å; T7-L9 VanDerWaalsContact O-N 3.08Å
8	F	61.8	Low	62.1	Low	183 Å²	183	144.3 Å²	144.3	80%	0.803	81%	0.807	S	S	*	*			trans	-70.5	98.4	174	-94.4	-98.3	0	0	0	109.4	A6 L10	A6-F8 PolarHBondContact O-N 3.2Å; A6-F8 VanDerWaalsContact O-N 3.08Å; F8-L10 PolarHBondContact O-N 2.92Å; F8-L10 VanDerWaalsContact O-N 3.09Å
9	L	68.5	Low	62.4	Low	151 Å²	151	140.2 Å²	140.2	79%	0.791	79%	0.792	S	S	*	*			trans	-72.8	95.9	173.6	-169.5	70.2	0	0	0	109	T7 L11	T7-L9 PolarHBondContact O-N 2.71Å; T7-L9 VanDerWaalsContact O-N 3.08Å; L9-L11 HydrophobicContact CD2-CD1 4.13Å; L9-L11 HydrophobicContact CG-CD1 4.27Å; L9-L11 PolarHBondContact O-N 2.76Å; L9-L11 VanDerWaalsContact O-N 3.11Å
10	L	66.6	Low	63.3	Low	161 Å²	161	141.4 Å²	141.4	84%	0.843	79%	0.791	S	S	*	*			trans	-71.2	96.5	174.5	-73.1	159.6	0	0	0	109.5	F8 A12	F8-L10 PolarHBondContact O-N 2.92Å; F8-L10 VanDerWaalsContact O-N 3.09Å; L10-A12 PolarHBondContact O-N 3.38Å; L10-A12 VanDerWaalsContact O-N 3.08Å
11	L	68.6	Low	64.6	Low	134 Å²	134	137.5 Å²	137.5	70%	0.702	77%	0.772	S	S	*	*			trans	-66.4	101.7	166.6	-98.2	78.3	0	0	0	108.7	L9 L13	L9-L11 HydrophobicContact CD2-CD1 4.13Å; L9-L11 HydrophobicContact CG-CD1 4.27Å; L9-L11 PolarHBondContact O-N 2.76Å; L9-L11 VanDerWaalsContact O-N 3.11Å; L11-L13 HydrophobicContact CB-CD1 4.33Å; L11-L13 PolarHBondContact O-N 3.26Å
12	A	68.9	Low	67.1	Low	93 Å²	93	127.3 Å²	127.3	77%	0.769	72%	0.723	S	S	*	*			trans	-70.5	94.4	167.4	0	0	0	0	0	108.7	L10 S14	L10-A12 PolarHBondContact O-N 3.38Å; L10-A12 VanDerWaalsContact O-N 3.08Å; A12-S14 VanDerWaalsContact C-N 3.34Å; A12-S14 PolarHBondContact O-N 2.85Å
13	L	66.5	Low	69.5	Low	149 Å²	149	122.7 Å²	122.7	78%	0.78	71%	0.712	S	S	*	*			trans	-67	94.5	167.5	-104.7	71.6	0	0	0	108	L11 T15	L11-L13 HydrophobicContact CB-CD1 4.33Å; L11-L13 PolarHBondContact O-N 3.26Å; L13-T15 PolarHBondContact O-N 3.16Å; L13-T15 VanDerWaalsContact O-N 3.14Å
14	S	68.9	Low	71.8	Confident	112 Å²	112	116.6 Å²	116.6	78%	0.783	69%	0.685	S	S	*	*			trans	-68.2	105.8	166.1	33.4	0	0	0	0	108.1	A12 A16	A12-S14 VanDerWaalsContact C-N 3.34Å; A12-S14 PolarHBondContact O-N 2.85Å; S14-A16 PolarHBondContact O-N 2.96Å
15	T	66.3	Low	73.7	Confident	134 Å²	134	114.3 Å²	114.3	82%	0.822	67%	0.668	S	S	*	*			trans	-63.7	101.2	166.1	45.9	0	0	0	0	107.1	L13 A17	L13-T15 PolarHBondContact O-N 3.16Å; L13-T15 VanDerWaalsContact O-N 3.14Å; T15-A17 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 2.96Å
16	A	65.6	Low	75.7	Confident	73 Å²	73	113.6 Å²	113.6	60%	0.603	65%	0.651	S	S	*	*			trans	-63.3	101.4	165.4	0	0	0	0	0	106.2	S14 Q18	S14-A16 PolarHBondContact O-N 2.96Å; A16-Q18 VanDerWaalsContact C-N 3.3Å; A16-Q18 PolarHBondContact O-N 2.85Å
17	A	66.3	Low	77.3	Confident	99 Å²	99	111.4 Å²	111.4	82%	0.818	63%	0.631	S	S	*	*			trans	-59	99.4	170.3	0	0	0	0	0	106.9	T15 A19	T15-A17 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 2.96Å; A17-A19 PolarHBondContact O-N 2.84Å
18	Q	64.8	Low	78.9	Confident	161 Å²	161	106.8 Å²	106.8	75%	0.752	61%	0.609	S	S	*	*			trans	-65.7	120.2	173.5	-64.5	-63.6	-54.8	0	0	106.1	A16 E20	A16-Q18 VanDerWaalsContact C-N 3.3Å; A16-Q18 PolarHBondContact O-N 2.85Å; Q18-E20 PolarHBondContact O-N 3.16Å
19	A	66.7	Low	80.6	Confident	65 Å²	65	99.3 Å²	99.3	54%	0.537	58%	0.58	S	S	.	*			trans	-70.1	113.2	170.8	0	0	0	0	0	107.1	A17	A17-A19 PolarHBondContact O-N 2.84Å
20	E	80.8	Confident	82	Confident	164 Å²	164	96.3 Å²	96.3	77%	0.766	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-70.9	150.3	172.6	-69.6	-176.5	169.1	0	0	110.2	Q18	Q18-E20 PolarHBondContact O-N 3.16Å
21	P	91.5	Very high	83.5	Confident	60 Å²	60	89.6 Å²	89.6	39%	0.39	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-59	150.2	174.8	-23.8	35.9	0	0	0	112.1	E36 N38	P21-E36 HydrophobicContact CB-CG 3.7Å; P21-E36 HydrophobicContact CG-CG 3.75Å; P21-E36 WeakPolarHBondContact CG-OE1 3.43Å; P21-N38 WeakPolarHBondContact CA-OD1 3.38Å
22	V	96.8	Very high	84.9	Confident	8 Å²	8	83.5 Å²	83.5	5%	0.048	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-74.8	142.4	178.2	-63.8	0	0	0	0	110.4	F24 V37 V39 C42 Q45 I143	V22-F24 PolarHBondContact O-N 2.93Å; V22-V37 HydrophobicContact CG2-CB 3.92Å; V22-V37 HydrophobicContact CG2-CG1 3.65Å; V22-V37 VanDerWaalsContact CG2-O 3.27Å; V22-V37 WeakPolarHBondContact CG2-O 3.3Å; V22-V37 PolarHBondContact N-O 3.49Å; V22-V39 HydrophobicContact CG1-CB 4.19Å; V22-V39 HydrophobicContact CG2-CG2 4.28Å; V22-C42 HydrophobicContact CG1-CB 4.21Å; V22-Q45 HydrophobicContact CG1-CG 4.49Å; V22-I143 HydrophobicContact CG2-CG2 4.11Å
23	Q	97.6	Very high	86.3	Confident	154 Å²	154	82 Å²	82	72%	0.72	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-71.9	124	168.1	-59.2	-64.2	-34.5	0	0	108.5	Q45	Q23-Q45 VanDerWaalsContact CB-OE1 3.26Å; Q23-Q45 PolarHBondContact O-NE2 2.92Å; Q23-Q45 PolarHBondContact O-OE1 3.46Å
24	F	98.4	Very high	87.9	Confident	68 Å²	68	75.8 Å²	75.8	30%	0.298	45%	0.45	S	S	.	.			trans	-125.8	157.7	-177.6	69.4	-86.5	0	0	0	110.8	V22 I34 V37 W141 E142 I143	V22-F24 PolarHBondContact O-N 2.93Å; F24-I34 HydrophobicContact CD2-CD1 4.29Å; F24-I34 HydrophobicContact CE1-CG2 4.01Å; F24-I34 HydrophobicContact CE2-CB 3.97Å; F24-I34 HydrophobicContact CE2-CD1 3.81Å; F24-I34 HydrophobicContact CE2-CG2 3.75Å; F24-I34 HydrophobicContact CZ-CB 3.91Å; F24-I34 HydrophobicContact CZ-CG2 3.4Å; F24-V37 HydrophobicContact CB-CB 4.42Å; F24-V37 HydrophobicContact CB-CG2 4.23Å; F24-V37 HydrophobicContact CD1-CB 3.84Å; F24-V37 HydrophobicContact CD1-CG2 3.57Å; F24-V37 HydrophobicContact CD2-CG2 4.13Å; F24-V37 HydrophobicContact CE1-CB 4.42Å; F24-V37 HydrophobicContact CE1-CG2 3.91Å; F24-V37 HydrophobicContact CE2-CG2 4.42Å; F24-V37 HydrophobicContact CG-CB 4.21Å; F24-V37 HydrophobicContact CG-CG2 3.7Å; F24-V37 HydrophobicContact CZ-CG2 4.33Å; F24-W141 HydrophobicContact CB-CB 4.24Å; F24-W141 HydrophobicContact CD2-CB 3.8Å; F24-W141 HydrophobicContact CG-CB 4.31Å; F24-E142 WeakPolarHBondContact CA-O 3.42Å; F24-I143 HydrophobicContact CB-CG2 3.79Å
25	K	98.5	Very high	89.3	Confident	124 Å²	124	76.4 Å²	76.4	54%	0.539	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129	169	171.2	-178.5	159.6	-132.7	0	108.5	W141 E142	K25-W141 CarbonylContact O-C 3.4Å; K25-W141 VanDerWaalsContact O-CA 3.26Å; K25-W141 WeakPolarHBondContact O-CA 3.35Å; K25-E142 HydrophobicContact CB-CB 4.31Å; K25-E142 WeakPolarHBondContact CD-OE2 3.41Å; K25-E142 PolarHBondContact N-O 3.27Å; K25-E142 IonicContact NZ-OE1 2.75Å; K25-E142 IonicContact NZ-OE2 3.74Å; K25-E142 PolarHBondContact NZ-OE2 3.17Å; K25-E142 PolarHBondContact O-N 3.45Å
26	D	98.7	Very high	90.8	Very high	74 Å²	74	73.5 Å²	73.5	40%	0.396	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.6	169.3	-167.9	-61.4	0	0	0	109.8	G28 S29 C140	D26-G28 PolarHBondContact OD1-N 3.2Å; D26-S29 VanDerWaalsContact CG-OG 3.29Å; D26-S29 PolarHBondContact OD1-N 3.41Å; D26-S29 PolarHBondContact OD1-OG 2.87Å; D26-S29 WeakPolarHBondContact OD2-CB 3.45Å; D26-S29 PolarHBondContact OD2-OG 2.85Å; D26-C140 WeakPolarHBondContact CA-O 3.48Å
27	C	98.4	Very high	92.4	Very high	38 Å²	38	70 Å²	70	26%	0.257	39%	0.388	S	S	.	.	S	Bend	trans	-110.5	12.3	-176.8	48.1	0	0	0	0	114.3	C140 W141 E142	C27-C140 HydrophobicContact CB-CB 4.14Å; C27-C140 WeakPolarHBondContact CB-SG 3.35Å; C27-C140 PolarHBondContact N-O 2.82Å; C27-C140 WeakPolarHBondContact SG-CB 3.19Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 2.83Å; C27-W141 VanDerWaalsContact SG-C 3.51Å; C27-W141 VanDerWaalsContact SG-CA 3.58Å; C27-W141 PolarHBondContact SG-N 2.77Å; C27-E142 HydrophobicContact CB-CG 3.97Å
28	G	96.8	Very high	93.9	Very high	37 Å²	37	66.5 Å²	66.5	38%	0.381	36%	0.355	S	S	.	.			trans	127	51.6	-179.9	0	0	0	0	0	112.8	D26 S137	D26-G28 PolarHBondContact OD1-N 3.2Å; G28-S137 WeakPolarHBondContact O-CB 3.29Å; G28-S137 PolarHBondContact O-OG 3.16Å
29	S	98	Very high	95.5	Very high	26 Å²	26	59.3 Å²	59.3	18%	0.182	32%	0.322	C	S	.	.			trans	-70	123	163.1	-53.2	0	0	0	0	109.3	D26 F139 C140	D26-S29 VanDerWaalsContact CG-OG 3.29Å; D26-S29 PolarHBondContact OD1-N 3.41Å; D26-S29 PolarHBondContact OD1-OG 2.87Å; D26-S29 WeakPolarHBondContact OD2-CB 3.45Å; D26-S29 PolarHBondContact OD2-OG 2.85Å; S29-F139 VanDerWaalsContact OG-CA 3.32Å; S29-F139 WeakPolarHBondContact OG-CA 3.28Å; S29-C140 PolarHBondContact OG-N 3.5Å
30	V	97.3	Very high	96.9	Very high	89 Å²	89	58.4 Å²	58.4	54%	0.539	31%	0.312	S	S	.	.			trans	-112.6	-48.6	-177.4	178.1	0	0	0	0	110.4	S137	V30-S137 PolarHBondContact N-O 2.85Å
31	D	98.2	Very high	97.6	Very high	20 Å²	20	54 Å²	54	11%	0.107	30%	0.297	C	S	.	.	S	Bend	trans	-103	10.8	-170.1	-64.1	-58.4	0	0	0	113.3	N64 I65 Q136 S137 L138	D31-N64 WeakPolarHBondContact O-CB 3.2Å; D31-N64 PolarHBondContact O-N 3.01Å; D31-I65 HydrophobicContact CB-CD1 3.74Å; D31-I65 HydrophobicContact CB-CG1 3.9Å; D31-I65 HydrophobicContact CB-CG2 4.01Å; D31-Q136 WeakPolarHBondContact OD2-CB 3.44Å; D31-S137 PolarHBondContact N-O 2.88Å; D31-L138 HydrophobicContact CB-CD2 4.19Å
32	G	98.4	Very high	97.8	Very high	5 Å²	5	51.6 Å²	51.6	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	175.9	175.8	0	0	0	0	0	112.5	T62 L138	G32-T62 CarbonylContact C-O 3.54Å; G32-T62 WeakPolarHBondContact CA-O 2.93Å; G32-L138 CarbonylContact C-O 3.58Å; G32-L138 WeakPolarHBondContact CA-O 3.33Å; G32-L138 PolarHBondContact N-O 3Å
33	V	98.8	Very high	97.6	Very high	63 Å²	63	57 Å²	57	38%	0.382	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.3	-178.6	-179.9	0	0	0	0	109	K35 F61 T62	V33-K35 PolarHBondContact O-N 3.35Å; V33-F61 CarbonylContact O-C 3.33Å; V33-F61 VanDerWaalsContact O-CA 3.28Å; V33-F61 WeakPolarHBondContact O-CA 3.44Å; V33-T62 PolarHBondContact N-O 2.87Å; V33-T62 PolarHBondContact O-N 2.04Å
34	I	98.8	Very high	97.3	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.087	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.5	171.9	-59.1	162.2	0	0	0	108.7	F24 V37 V59 F139 C140 W141	F24-I34 HydrophobicContact CD2-CD1 4.29Å; F24-I34 HydrophobicContact CE1-CG2 4.01Å; F24-I34 HydrophobicContact CE2-CB 3.97Å; F24-I34 HydrophobicContact CE2-CD1 3.81Å; F24-I34 HydrophobicContact CE2-CG2 3.75Å; F24-I34 HydrophobicContact CZ-CB 3.91Å; F24-I34 HydrophobicContact CZ-CG2 3.4Å; I34-V37 HydrophobicContact CG2-CG2 3.7Å; I34-V59 HydrophobicContact CG2-CG1 4.19Å; I34-F139 HydrophobicContact CD1-CB 3.87Å; I34-F139 HydrophobicContact CG1-CB 3.47Å; I34-F139 VanDerWaalsContact CG1-CB 3.47Å; I34-F139 HydrophobicContact CG1-CG 4.18Å; I34-C140 WeakPolarHBondContact CD1-O 3.36Å; I34-W141 HydrophobicContact CD1-CB 3.89Å; I34-W141 HydrophobicContact CD1-CG 4.41Å
35	K	98.5	Very high	97.1	Very high	126 Å²	126	54 Å²	54	55%	0.548	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-38.8	171.2	-58.5	-56.5	-178.4	-175.8	0	111.1	V33 T60 T62	V33-K35 PolarHBondContact O-N 3.35Å; K35-T60 HydrophobicContact CB-CG2 4.12Å; K35-T60 WeakPolarHBondContact CB-O 3.48Å; K35-T60 HydrophobicContact CG-CG2 4.48Å; K35-T60 PolarHBondContact N-O 3.41Å; K35-T62 VanDerWaalsContact CE-OG1 3.25Å; K35-T62 WeakPolarHBondContact CE-OG1 3.4Å
36	E	98.4	Very high	97	Very high	72 Å²	72	50.6 Å²	50.6	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	142.9	-172.8	-163.9	-179.8	156	0	0	110.5	P21 N38 V59 T60	P21-E36 HydrophobicContact CB-CG 3.7Å; P21-E36 HydrophobicContact CG-CG 3.75Å; P21-E36 WeakPolarHBondContact CG-OE1 3.43Å; E36-N38 VanDerWaalsContact CD-ND2 3.32Å; E36-N38 PolarHBondContact OE1-ND2 2.79Å; E36-V59 WeakPolarHBondContact O-CA 3.23Å; E36-T60 PolarHBondContact N-O 2.85Å; E36-T60 PolarHBondContact O-N 3.14Å
37	V	98.6	Very high	97	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.8	169.5	-177.4	0	0	0	0	107.9	V22 F24 I34 V59 W141	V22-V37 HydrophobicContact CG2-CB 3.92Å; V22-V37 HydrophobicContact CG2-CG1 3.65Å; V22-V37 VanDerWaalsContact CG2-O 3.27Å; V22-V37 WeakPolarHBondContact CG2-O 3.3Å; V22-V37 PolarHBondContact N-O 3.49Å; F24-V37 HydrophobicContact CB-CB 4.42Å; F24-V37 HydrophobicContact CB-CG2 4.23Å; F24-V37 HydrophobicContact CD1-CB 3.84Å; F24-V37 HydrophobicContact CD1-CG2 3.57Å; F24-V37 HydrophobicContact CD2-CG2 4.13Å; F24-V37 HydrophobicContact CE1-CB 4.42Å; F24-V37 HydrophobicContact CE1-CG2 3.91Å; F24-V37 HydrophobicContact CE2-CG2 4.42Å; F24-V37 HydrophobicContact CG-CB 4.21Å; F24-V37 HydrophobicContact CG-CG2 3.7Å; F24-V37 HydrophobicContact CZ-CG2 4.33Å; I34-V37 HydrophobicContact CG2-CG2 3.7Å; V37-V59 HydrophobicContact CG1-CG2 4.41Å; V37-V59 HydrophobicContact CG2-CG1 4.25Å; V37-W141 HydrophobicContact CG1-CD2 4.03Å; V37-W141 HydrophobicContact CG1-CE3 4.4Å; V37-W141 HydrophobicContact CG1-CG 4.45Å; V37-W141 HydrophobicContact CG1-CZ2 4.18Å; V37-W141 HydrophobicContact CG2-CB 4.35Å; V37-W141 HydrophobicContact CG2-CD2 4.36Å; V37-W141 HydrophobicContact CG2-CG 3.93Å
38	N	98	Very high	96.9	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.128	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.8	176	-73.4	-70.6	0	0	0	109.5	P21 E36 V57 N58	P21-N38 WeakPolarHBondContact CA-OD1 3.38Å; E36-N38 VanDerWaalsContact CD-ND2 3.32Å; E36-N38 PolarHBondContact OE1-ND2 2.79Å; N38-V57 CarbonylContact O-C 3.49Å; N38-V57 WeakPolarHBondContact O-CA 3.42Å; N38-N58 HydrophobicContact CB-CB 4.21Å; N38-N58 PolarHBondContact N-O 2.83Å; N38-N58 PolarHBondContact O-N 2.78Å
39	V	98	Very high	97	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.6	168.5	179.5	0	0	0	0	107.4	V22 P41 C42 S56 V57 I143	V22-V39 HydrophobicContact CG1-CB 4.19Å; V22-V39 HydrophobicContact CG2-CG2 4.28Å; V39-P41 CarbonylContact O-C 3.58Å; V39-C42 HydrophobicContact CB-CB 4.34Å; V39-C42 HydrophobicContact CG1-CB 4.43Å; V39-C42 WeakPolarHBondContact O-CB 3.21Å; V39-C42 PolarHBondContact O-N 3.33Å; V39-C42 VanDerWaalsContact O-N 3.14Å; V39-S56 CarbonylContact C-O 3.58Å; V39-S56 VanDerWaalsContact CA-O 3.31Å; V39-S56 WeakPolarHBondContact CA-O 3.45Å; V39-V57 HydrophobicContact CG2-CG2 4.37Å; V39-I143 HydrophobicContact CB-CD1 4.41Å; V39-I143 HydrophobicContact CG2-CD1 3.61Å
40	S	96.6	Very high	96.9	Very high	46 Å²	46	49.8 Å²	49.8	32%	0.322	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.5	-169	-65.2	0	0	0	0	112.1	Y55 S56	S40-Y55 WeakPolarHBondContact O-CA 3.39Å; S40-S56 PolarHBondContact N-O 2.97Å; S40-S56 PolarHBondContact O-N 3.4Å
41	P	94.9	Very high	97	Very high	71 Å²	71	47.1 Å²	47.1	46%	0.461	26%	0.263	S	S	.	.	S	Bend	cis	-75.5	134.4	-4.5	29.9	-33.5	0	0	0	113.1	V39 Y55	V39-P41 CarbonylContact O-C 3.58Å; P41-Y55 HydrophobicContact CG-CD1 4.14Å; P41-Y55 HydrophobicContact CG-CE1 3.84Å; P41-Y55 VanDerWaalsContact O-CD1 3.23Å; P41-Y55 WeakPolarHBondContact O-CD1 3.28Å; P41-Y55 WeakPolarHBondContact O-CE1 3.46Å
42	C	95.7	Very high	96.9	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.068	29%	0.285	C	S	.	.			trans	-147.4	81.4	165.7	179.3	0	0	0	0	109.3	V22 V39 T44 C47	V22-C42 HydrophobicContact CG1-CB 4.21Å; V39-C42 HydrophobicContact CB-CB 4.34Å; V39-C42 HydrophobicContact CG1-CB 4.43Å; V39-C42 WeakPolarHBondContact O-CB 3.21Å; V39-C42 PolarHBondContact O-N 3.33Å; V39-C42 VanDerWaalsContact O-N 3.14Å; C42-T44 VanDerWaalsContact C-N 3.29Å; C42-T44 PolarHBondContact O-N 2.96Å; C42-T44 PolarHBondContact SG-O 3.1Å; C42-T44 VanDerWaalsContact SG-O 3.4Å; C42-C47 HydrophobicContact CB-CB 3.88Å; C42-C47 WeakPolarHBondContact CB-SG 3.45Å; C42-C47 WeakPolarHBondContact SG-CA 3.36Å; C42-C47 WeakPolarHBondContact SG-CB 3.42Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.93Å
43	P	91.8	Very high	96.8	Very high	121 Å²	121	52 Å²	52	79%	0.786	30%	0.298	S	S	*	.	S	Bend	trans	-71.2	-24.1	-175.1	28.7	-35.4	0	0	0	113.3
44	T	91.7	Very high	96.7	Very high	93 Å²	93	51.7 Å²	51.7	57%	0.571	30%	0.299	S	S	*	.	S	Bend	trans	-144	145.2	177.9	53.7	0	0	0	0	110.1	C42 P46	C42-T44 VanDerWaalsContact C-N 3.29Å; C42-T44 PolarHBondContact O-N 2.96Å; C42-T44 PolarHBondContact SG-O 3.1Å; C42-T44 VanDerWaalsContact SG-O 3.4Å; T44-P46 CarbonylContact O-C 3.57Å
45	Q	95.5	Very high	96.7	Very high	67 Å²	67	51.5 Å²	51.5	31%	0.313	30%	0.297	S	S	.	.	S	Bend	trans	-96.6	145	174.1	-73.2	-179.1	-73.2	0	0	111.7	V22 Q23	V22-Q45 HydrophobicContact CG1-CG 4.49Å; Q23-Q45 VanDerWaalsContact CB-OE1 3.26Å; Q23-Q45 PolarHBondContact O-NE2 2.92Å; Q23-Q45 PolarHBondContact O-OE1 3.46Å
46	P	96.6	Very high	96.6	Very high	52 Å²	52	47.9 Å²	47.9	34%	0.338	29%	0.288	S	S	.	.	S	Bend	cis	-66.2	141.8	0.4	29.4	-36.1	0	0	0	112.3	T44 Q48 P144	T44-P46 CarbonylContact O-C 3.57Å; P46-Q48 PolarHBondContact O-N 3.03Å; P46-Q48 VanDerWaalsContact O-N 3.1Å; P46-P144 WeakPolarHBondContact CA-O 3.28Å; P46-P144 HydrophobicContact CB-CB 4.05Å; P46-P144 HydrophobicContact CB-CG 4.28Å; P46-P144 WeakPolarHBondContact CB-O 3.26Å
47	C	97.6	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	119.4	-176.5	-63.4	0	0	0	0	109.9	C42 L49 P144 V145 Q146	C42-C47 HydrophobicContact CB-CB 3.88Å; C42-C47 WeakPolarHBondContact CB-SG 3.45Å; C42-C47 WeakPolarHBondContact SG-CA 3.36Å; C42-C47 WeakPolarHBondContact SG-CB 3.42Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.93Å; C47-L49 HydrophobicContact CB-CD2 4.04Å; C47-L49 PolarHBondContact O-N 2.88Å; C47-P144 PolarHBondContact N-O 3.14Å; C47-V145 HydrophobicContact CB-CG1 4.22Å; C47-V145 WeakPolarHBondContact O-CA 3.28Å; C47-Q146 PolarHBondContact O-N 2.75Å
48	Q	97.4	Very high	96.6	Very high	110 Å²	110	47.3 Å²	47.3	51%	0.514	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	106.2	174.7	-68	-167.7	90.1	0	0	109.4	P46 Y55 Q146 V148	P46-Q48 PolarHBondContact O-N 3.03Å; P46-Q48 VanDerWaalsContact O-N 3.1Å; Q48-Y55 PolarHBondContact O-OH 2.03Å; Q48-Q146 CarbonylContact C-O 3.56Å; Q48-Q146 WeakPolarHBondContact CA-O 3.47Å; Q48-V148 HydrophobicContact CB-CG2 4.43Å
49	L	97.4	Very high	96.7	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.12	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	98.6	-177.5	-56.5	-171.5	0	0	0	109.5	C47 Y55 V115 V145 Q146 I147 V148	C47-L49 HydrophobicContact CB-CD2 4.04Å; C47-L49 PolarHBondContact O-N 2.88Å; L49-Y55 WeakPolarHBondContact CA-OH 3.46Å; L49-Y55 HydrophobicContact CB-CE2 4.17Å; L49-Y55 HydrophobicContact CD2-CD1 3.53Å; L49-Y55 HydrophobicContact CD2-CD2 3.98Å; L49-Y55 HydrophobicContact CD2-CE1 3.58Å; L49-Y55 HydrophobicContact CD2-CE2 4.05Å; L49-Y55 HydrophobicContact CD2-CG 3.75Å; L49-V115 HydrophobicContact CB-CG2 3.92Å; L49-V145 HydrophobicContact CD1-CB 3.98Å; L49-V145 HydrophobicContact CD1-CG1 4.17Å; L49-V145 HydrophobicContact CD1-CG2 4.19Å; L49-V145 HydrophobicContact CG-CB 4.27Å; L49-Q146 PolarHBondContact N-O 3Å; L49-I147 HydrophobicContact CB-CG1 4.46Å; L49-I147 WeakPolarHBondContact O-CA 3.48Å; L49-V148 PolarHBondContact O-N 2.89Å
50	S	97.5	Very high	96.7	Very high	24 Å²	24	47 Å²	47	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.3	-179.3	-63.9	0	0	0	0	111	Q53 Y55	S50-Q53 WeakPolarHBondContact O-CB 3.5Å; S50-Q53 PolarHBondContact O-N 2.9Å; S50-Q53 VanDerWaalsContact O-N 3.16Å; S50-Y55 PolarHBondContact N-OH 2.93Å
51	K	97.9	Very high	96.8	Very high	34 Å²	34	44.8 Å²	44.8	15%	0.148	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	142.3	171.8	-70.9	178.7	-149	-171.6	0	111.7	Q53 V115 Y119 S121 I147 V148	K51-Q53 PolarHBondContact O-N 2.9Å; K51-V115 HydrophobicContact CG-CG1 4.19Å; K51-Y119 WeakPolarHBondContact CD-O 3.49Å; K51-Y119 WeakPolarHBondContact CE-O 3.37Å; K51-Y119 PolarHBondContact NZ-O 3.35Å; K51-S121 WeakPolarHBondContact CE-OG 3.4Å; K51-S121 PolarHBondContact NZ-OG 3.04Å; K51-I147 HydrophobicContact CG-CG2 3.91Å; K51-V148 WeakPolarHBondContact CG-O 3.33Å; K51-V148 PolarHBondContact N-O 2.84Å
52	G	96	Very high	97	Very high	55 Å²	55	42.4 Å²	42.4	57%	0.567	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-10.1	-175.9	0	0	0	0	0	114.3	V115	G52-V115 PolarHBondContact N-O 3.19Å
53	Q	96.6	Very high	97.2	Very high	72 Å²	72	41.9 Å²	41.9	34%	0.336	25%	0.252	S	S	.	.			trans	-97	163.4	178	-57.7	-168.9	16.9	0	0	111.9	S50 K51 Y55 V115	S50-Q53 WeakPolarHBondContact O-CB 3.5Å; S50-Q53 PolarHBondContact O-N 2.9Å; S50-Q53 VanDerWaalsContact O-N 3.16Å; K51-Q53 PolarHBondContact O-N 2.9Å; Q53-Y55 HydrophobicContact CB-CE2 3.89Å; Q53-V115 PolarHBondContact O-N 2.89Å
54	S	97.5	Very high	97.5	Very high	56 Å²	56	39.1 Å²	39.1	39%	0.392	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.2	175.5	-62.6	0	0	0	0	110.7	L113	S54-L113 WeakPolarHBondContact CA-O 3.45Å
55	Y	97.8	Very high	97.8	Very high	14 Å²	14	36.5 Å²	36.5	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.7	-178.9	-66.8	-99.8	0	0	0	109.5	S40 P41 Q48 L49 S50 Q53 K112 L113 V115	S40-Y55 WeakPolarHBondContact O-CA 3.39Å; P41-Y55 HydrophobicContact CG-CD1 4.14Å; P41-Y55 HydrophobicContact CG-CE1 3.84Å; P41-Y55 VanDerWaalsContact O-CD1 3.23Å; P41-Y55 WeakPolarHBondContact O-CD1 3.28Å; P41-Y55 WeakPolarHBondContact O-CE1 3.46Å; Q48-Y55 PolarHBondContact O-OH 2.03Å; L49-Y55 WeakPolarHBondContact CA-OH 3.46Å; L49-Y55 HydrophobicContact CB-CE2 4.17Å; L49-Y55 HydrophobicContact CD2-CD1 3.53Å; L49-Y55 HydrophobicContact CD2-CD2 3.98Å; L49-Y55 HydrophobicContact CD2-CE1 3.58Å; L49-Y55 HydrophobicContact CD2-CE2 4.05Å; L49-Y55 HydrophobicContact CD2-CG 3.75Å; S50-Y55 PolarHBondContact N-OH 2.93Å; Q53-Y55 HydrophobicContact CB-CE2 3.89Å; Y55-K112 WeakPolarHBondContact O-CA 3.47Å; Y55-L113 PolarHBondContact N-O 3.18Å; Y55-L113 PolarHBondContact O-N 2.78Å; Y55-V115 HydrophobicContact CD2-CG2 3.68Å; Y55-V115 HydrophobicContact CE2-CG2 3.79Å
56	S	98	Very high	98	Very high	49 Å²	49	39.9 Å²	39.9	34%	0.343	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.2	175.7	-61.4	0	0	0	0	109.9	V39 S40 N111	V39-S56 CarbonylContact C-O 3.58Å; V39-S56 VanDerWaalsContact CA-O 3.31Å; V39-S56 WeakPolarHBondContact CA-O 3.45Å; S40-S56 PolarHBondContact N-O 2.97Å; S40-S56 PolarHBondContact O-N 3.4Å; S56-N111 CarbonylContact C-O 3.56Å; S56-N111 WeakPolarHBondContact CA-O 3.4Å
57	V	98.5	Very high	98.1	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.5	171.5	175.1	0	0	0	0	107.3	N38 V39 V59 L110 N111 W128 W141	N38-V57 CarbonylContact O-C 3.49Å; N38-V57 WeakPolarHBondContact O-CA 3.42Å; V39-V57 HydrophobicContact CG2-CG2 4.37Å; V57-V59 HydrophobicContact CG1-CG2 4.06Å; V57-L110 WeakPolarHBondContact O-CA 3.34Å; V57-N111 HydrophobicContact CB-CB 4.44Å; V57-N111 PolarHBondContact N-O 3Å; V57-N111 PolarHBondContact O-N 2.93Å; V57-W128 HydrophobicContact CG2-CH2 4.36Å; V57-W128 HydrophobicContact CG2-CZ3 3.96Å; V57-W141 HydrophobicContact CG1-CH2 4.29Å; V57-W141 HydrophobicContact CG1-CZ2 3.72Å
58	N	98.5	Very high	98.1	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.9	171.7	178.9	-24.3	0	0	0	109	N38 Y109 L110	N38-N58 HydrophobicContact CB-CB 4.21Å; N38-N58 PolarHBondContact N-O 2.83Å; N38-N58 PolarHBondContact O-N 2.78Å; N58-Y109 CarbonylContact C-O 3.48Å; N58-Y109 VanDerWaalsContact CA-O 3.27Å; N58-Y109 WeakPolarHBondContact CA-O 3.36Å; N58-L110 HydrophobicContact CB-CD2 3.72Å; N58-L110 WeakPolarHBondContact ND2-CD2 3.24Å
59	V	98.8	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.2	178.1	-173.9	0	0	0	0	108.4	I34 E36 V37 V57 S108 Y109 F139 W141	I34-V59 HydrophobicContact CG2-CG1 4.19Å; E36-V59 WeakPolarHBondContact O-CA 3.23Å; V37-V59 HydrophobicContact CG1-CG2 4.41Å; V37-V59 HydrophobicContact CG2-CG1 4.25Å; V57-V59 HydrophobicContact CG1-CG2 4.06Å; V59-S108 CarbonylContact O-C 3.57Å; V59-S108 WeakPolarHBondContact O-CA 3.22Å; V59-Y109 HydrophobicContact CG2-CD1 4.34Å; V59-Y109 PolarHBondContact N-O 2.89Å; V59-Y109 PolarHBondContact O-N 3.06Å; V59-F139 HydrophobicContact CB-CE1 4.16Å; V59-F139 HydrophobicContact CB-CE2 4.4Å; V59-F139 HydrophobicContact CB-CZ 3.9Å; V59-F139 HydrophobicContact CG1-CD1 4.12Å; V59-F139 HydrophobicContact CG1-CD2 4.26Å; V59-F139 HydrophobicContact CG1-CE1 3.88Å; V59-F139 HydrophobicContact CG1-CE2 4.07Å; V59-F139 HydrophobicContact CG1-CG 4.31Å; V59-F139 HydrophobicContact CG1-CZ 3.86Å; V59-F139 HydrophobicContact CG2-CE2 4.18Å; V59-F139 HydrophobicContact CG2-CZ 4Å; V59-W141 HydrophobicContact CG2-CZ2 4.2Å
60	T	98.8	Very high	98.2	Very high	29 Å²	29	41.8 Å²	41.8	18%	0.178	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.1	170.4	-60.7	0	0	0	0	108.4	K35 E36 T106 Y107 S108	K35-T60 HydrophobicContact CB-CG2 4.12Å; K35-T60 WeakPolarHBondContact CB-O 3.48Å; K35-T60 HydrophobicContact CG-CG2 4.48Å; K35-T60 PolarHBondContact N-O 3.41Å; E36-T60 PolarHBondContact N-O 2.85Å; E36-T60 PolarHBondContact O-N 3.14Å; T60-T106 HydrophobicContact CG2-CG2 3.59Å; T60-Y107 WeakPolarHBondContact CA-O 3.46Å; T60-S108 PolarHBondContact OG1-OG 2.75Å
61	F	98.8	Very high	98.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.1	-179.8	77.2	-78	0	0	0	111.6	V33 I97 T106 Y107 L130 L138 F139	V33-F61 CarbonylContact O-C 3.33Å; V33-F61 VanDerWaalsContact O-CA 3.28Å; V33-F61 WeakPolarHBondContact O-CA 3.44Å; F61-I97 HydrophobicContact CE1-CD1 3.82Å; F61-I97 HydrophobicContact CZ-CD1 3.97Å; F61-T106 CarbonylContact O-C 3.31Å; F61-T106 VanDerWaalsContact O-CA 3.28Å; F61-T106 WeakPolarHBondContact O-CA 3.09Å; F61-Y107 HydrophobicContact CZ-CD2 4.39Å; F61-Y107 HydrophobicContact CZ-CG 4.44Å; F61-Y107 PolarHBondContact N-O 2.88Å; F61-Y107 PolarHBondContact O-N 3.22Å; F61-L130 HydrophobicContact CE1-CD2 3.98Å; F61-L130 HydrophobicContact CZ-CD2 3.79Å; F61-L138 HydrophobicContact CE2-CB 4.07Å; F61-L138 HydrophobicContact CE2-CD1 4.48Å; F61-F139 HydrophobicContact CB-CD1 4.05Å; F61-F139 AromaticContact CD1-CD1 3.68Å; F61-F139 HydrophobicContact CD1-CD1 3.68Å; F61-F139 AromaticContact CD1-CE1 3.69Å; F61-F139 HydrophobicContact CD1-CE1 3.69Å; F61-F139 HydrophobicContact CD2-CD1 4.05Å; F61-F139 HydrophobicContact CE1-CD1 4.1Å; F61-F139 AromaticContact CE1-CE1 3.89Å; F61-F139 HydrophobicContact CE1-CE1 3.89Å; F61-F139 HydrophobicContact CE2-CD1 4.45Å; F61-F139 AromaticContact CG-CD1 3.65Å; F61-F139 HydrophobicContact CG-CD1 3.65Å; F61-F139 HydrophobicContact CG-CE1 4.16Å; F61-F139 HydrophobicContact CZ-CD1 4.47Å
62	T	98.8	Very high	98.3	Very high	20 Å²	20	44.3 Å²	44.3	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.7	170.5	-54.4	0	0	0	0	109	G32 V33 K35 K105 T106	G32-T62 CarbonylContact C-O 3.54Å; G32-T62 WeakPolarHBondContact CA-O 2.93Å; V33-T62 PolarHBondContact N-O 2.87Å; V33-T62 PolarHBondContact O-N 2.04Å; K35-T62 VanDerWaalsContact CE-OG1 3.25Å; K35-T62 WeakPolarHBondContact CE-OG1 3.4Å; T62-K105 WeakPolarHBondContact CA-O 3.4Å; T62-T106 PolarHBondContact OG1-OG1 3.22Å
63	S	98.8	Very high	98.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.1	173.6	-174.8	0	0	0	0	110.6	I65 I101 D104 K105	S63-I65 PolarHBondContact OG-N 2.87Å; S63-I65 PolarHBondContact OG-O 2.97Å; S63-I101 WeakPolarHBondContact OG-CG2 3.23Å; S63-D104 VanDerWaalsContact O-CA 3.28Å; S63-D104 WeakPolarHBondContact O-CA 3.44Å; S63-D104 PolarHBondContact O-N 2.87Å; S63-K105 PolarHBondContact N-O 2.86Å
64	N	98.6	Very high	98.6	Very high	63 Å²	63	40.3 Å²	40.3	34%	0.337	21%	0.214	S	C	.	.	S	Bend	trans	-93.2	-3.6	172.2	-61.9	-33.4	0	0	0	112.3	D31 K103	D31-N64 WeakPolarHBondContact O-CB 3.2Å; D31-N64 PolarHBondContact O-N 3.01Å; N64-K103 WeakPolarHBondContact O-CD 3.35Å; N64-K103 WeakPolarHBondContact O-CE 3.33Å; N64-K103 WeakPolarHBondContact O-CG 3.43Å
65	I	98.5	Very high	98.6	Very high	37 Å²	37	39.6 Å²	39.6	19%	0.19	20%	0.204	C	C	.	.	S	Bend	trans	-131.7	167.6	-176.8	68.8	163.3	0	0	0	112	D31 S63 Q102 K103 D132 L138	D31-I65 HydrophobicContact CB-CD1 3.74Å; D31-I65 HydrophobicContact CB-CG1 3.9Å; D31-I65 HydrophobicContact CB-CG2 4.01Å; S63-I65 PolarHBondContact OG-N 2.87Å; S63-I65 PolarHBondContact OG-O 2.97Å; I65-Q102 CarbonylContact O-C 3.45Å; I65-K103 VanDerWaalsContact O-CA 3.26Å; I65-K103 WeakPolarHBondContact O-CA 3.46Å; I65-K103 PolarHBondContact O-N 3.4Å; I65-K103 VanDerWaalsContact O-N 3.14Å; I65-D132 HydrophobicContact CD1-CB 3.89Å; I65-D132 WeakPolarHBondContact CD1-OD2 3.37Å; I65-L138 HydrophobicContact CD1-CD2 4.06Å; I65-L138 HydrophobicContact CG1-CD2 3.91Å
66	Q	98.6	Very high	98.7	Very high	138 Å²	138	39.4 Å²	39.4	65%	0.645	21%	0.206	S	C	*	.			trans	-89.4	141.1	159.6	173.4	172.5	81.7	0	0	109.5	I101	Q66-I101 VanDerWaalsContact CA-O 3.28Å; Q66-I101 WeakPolarHBondContact CA-O 3.39Å; Q66-I101 WeakPolarHBondContact CG-O 3.08Å
67	S	98.7	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-144.4	137.3	172.6	-169.5	0	0	0	0	111.9	S69 P100 I101 D132 D133	S67-S69 PolarHBondContact OG-O 2.79Å; S67-P100 CarbonylContact O-C 3.57Å; S67-P100 WeakPolarHBondContact O-CA 2.99Å; S67-I101 PolarHBondContact N-O 2.98Å; S67-I101 PolarHBondContact O-N 2.79Å; S67-D132 WeakPolarHBondContact OG-CB 3.44Å; S67-D133 WeakPolarHBondContact OG-CB 3.46Å; S67-D133 PolarHBondContact OG-N 2.84Å; S67-D133 PolarHBondContact OG-OD1 2.92Å
68	K	98.7	Very high	98.6	Very high	168 Å²	168	40.8 Å²	40.8	73%	0.73	21%	0.209	S	C	*	.	S	Bend	trans	-73.1	-30.2	-178	-65.1	-179.9	-177	177.2	0	113	D133	K68-D133 HydrophobicContact CB-CB 4.42Å; K68-D133 WeakPolarHBondContact CB-OD2 3.33Å; K68-D133 WeakPolarHBondContact CG-OD2 3.18Å; K68-D133 PolarHBondContact N-OD2 2.78Å
69	S	98.7	Very high	98.4	Very high	54 Å²	54	47.6 Å²	47.6	38%	0.378	24%	0.241	S	C	.	.			trans	-144.3	166.9	-177.2	57.8	0	0	0	0	110.5	S67 D133	S67-S69 PolarHBondContact OG-O 2.79Å; S69-D133 PolarHBondContact O-N 2.89Å; S69-D133 WeakPolarHBondContact OG-CB 3.47Å
70	S	98.6	Very high	98.1	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.028	27%	0.273	C	S	.	.			trans	-141.7	152.8	169.6	56.8	0	0	0	0	111	G92 C93 Q131	S70-G92 PolarHBondContact O-N 2.77Å; S70-G92 VanDerWaalsContact OG-CA 3.27Å; S70-G92 WeakPolarHBondContact OG-CA 3.17Å; S70-C93 PolarHBondContact N-SG 3.39Å; S70-C93 VanDerWaalsContact N-SG 3.44Å; S70-C93 PolarHBondContact OG-N 3.19Å; S70-Q131 CarbonylContact C-O 3.57Å; S70-Q131 WeakPolarHBondContact CA-O 3.11Å; S70-Q131 WeakPolarHBondContact CB-O 3.17Å
71	K	98.8	Very high	98.1	Very high	106 Å²	106	53.6 Å²	53.6	46%	0.461	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	125.9	-177.9	-175.6	-178	176.1	-174	0	111.3	P90 Q131	K71-P90 CarbonylContact C-O 3.53Å; K71-P90 VanDerWaalsContact CA-O 3.31Å; K71-P90 WeakPolarHBondContact CA-O 3.35Å; K71-P90 HydrophobicContact CG-CB 4.43Å; K71-Q131 PolarHBondContact N-O 2.88Å; K71-Q131 PolarHBondContact O-N 3Å
72	A	98.9	Very high	98	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.033	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.3	173.2	0	0	0	0	0	111	I87 P90 Y109 Q129 L130	A72-I87 HydrophobicContact CB-CD1 3.71Å; A72-P90 PolarHBondContact N-O 2.91Å; A72-Y109 HydrophobicContact CB-CE2 4.28Å; A72-Y109 VanDerWaalsContact CB-OH 3.3Å; A72-Y109 WeakPolarHBondContact CB-OH 3.35Å; A72-Q129 CarbonylContact C-O 3.55Å; A72-Q129 VanDerWaalsContact CA-O 3.31Å; A72-Q129 WeakPolarHBondContact CA-O 3.07Å; A72-L130 HydrophobicContact CB-CD1 4.3Å
73	V	98.8	Very high	98	Very high	34 Å²	34	59.4 Å²	59.4	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.8	175.1	-179.7	0	0	0	0	107.3	Q129 Q131	V73-Q129 PolarHBondContact N-O 3.43Å; V73-Q129 PolarHBondContact O-N 2.94Å; V73-Q131 HydrophobicContact CG2-CG 4.39Å
74	V	98.8	Very high	98	Very high	10 Å²	10	63.9 Å²	63.9	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134	-172.5	-175.1	0	0	0	0	109.5	F85 I87 V126 E127 W128	V74-F85 HydrophobicContact CB-CB 4.47Å; V74-F85 HydrophobicContact CG1-CB 4.27Å; V74-F85 HydrophobicContact CG1-CD1 4.2Å; V74-F85 PolarHBondContact O-N 3.25Å; V74-I87 HydrophobicContact CB-CG2 4.17Å; V74-I87 HydrophobicContact CG2-CD1 4.22Å; V74-I87 HydrophobicContact CG2-CG2 3.8Å; V74-V126 HydrophobicContact CG1-CG1 4.28Å; V74-E127 WeakPolarHBondContact CA-O 3.31Å; V74-W128 HydrophobicContact CG1-CE3 4.07Å; V74-W128 HydrophobicContact CG1-CZ3 4.46Å; V74-W128 HydrophobicContact CG2-CD2 3.52Å; V74-W128 HydrophobicContact CG2-CE3 3.72Å; V74-W128 HydrophobicContact CG2-CG 3.99Å; V74-W128 HydrophobicContact CG2-CH2 4.13Å; V74-W128 HydrophobicContact CG2-CZ2 3.92Å; V74-W128 HydrophobicContact CG2-CZ3 4.02Å
75	H	98.8	Very high	97.9	Very high	40 Å²	40	64.1 Å²	64.1	19%	0.185	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.7	172.1	-58.7	99.1	0	0	0	110.7	P82 V83 E127	H75-P82 HydrophobicContact CB-CB 4.16Å; H75-V83 CarbonylContact C-O 3.58Å; H75-V83 VanDerWaalsContact CA-O 3.28Å; H75-V83 WeakPolarHBondContact CA-O 3.11Å; H75-E127 HydrophobicContact CB-CB 4.33Å; H75-E127 IonicContact CE1-OE1 3.81Å; H75-E127 IonicContact CG-OE1 2.88Å; H75-E127 PolarHBondContact N-O 2.91Å; H75-E127 IonicContact ND1-OE1 3.85Å; H75-E127 PolarHBondContact ND1-OE1 2.98Å; H75-E127 PolarHBondContact O-N 3.42Å
76	G	98.5	Very high	97.9	Very high	10 Å²	10	67.8 Å²	67.8	10%	0.103	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.6	159.3	0	0	0	0	0	109.4	V83	G76-V83 PolarHBondContact N-O 2.89Å; G76-V83 WeakPolarHBondContact O-CB 3.17Å; G76-V83 PolarHBondContact O-N 3.42Å
77	I	98.6	Very high	97.8	Very high	29 Å²	29	62 Å²	62	15%	0.149	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.4	176.7	-54.9	174.2	0	0	0	108.6	V81 P82 V125 E127	I77-V81 WeakPolarHBondContact CA-O 3.34Å; I77-P82 HydrophobicContact CG1-CB 4.36Å; I77-V125 HydrophobicContact CB-CB 4.18Å; I77-V125 HydrophobicContact CD1-CG1 4.35Å; I77-V125 PolarHBondContact N-O 2.92Å; I77-V125 PolarHBondContact O-N 2.86Å; I77-E127 HydrophobicContact CD1-CB 4.07Å; I77-E127 HydrophobicContact CG1-CB 4.39Å
78	L	96.7	Very high	97.8	Very high	60 Å²	60	67.1 Å²	67.1	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.8	179.9	-70.3	169.7	0	0	0	109.1	G80 V81 V83 I122 L124	L78-G80 PolarHBondContact O-N 3.07Å; L78-G80 VanDerWaalsContact O-N 3.17Å; L78-V81 PolarHBondContact N-O 3.29Å; L78-V81 WeakPolarHBondContact O-CB 3.01Å; L78-V81 PolarHBondContact O-N 3.09Å; L78-V83 HydrophobicContact CD1-CG2 4.28Å; L78-I122 HydrophobicContact CD2-CD1 3.6Å; L78-I122 HydrophobicContact CD2-CG1 4.08Å; L78-L124 HydrophobicContact CD2-CB 3.64Å; L78-L124 HydrophobicContact CG-CB 4.39Å
79	M	93.5	Very high	97.7	Very high	193 Å²	193	62.2 Å²	62.2	95%	0.951	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.9	-177.7	-60.1	-61	-65.2	0	0	113.2	V81	M79-V81 VanDerWaalsContact C-N 3.3Å; M79-V81 PolarHBondContact O-N 3.2Å
80	G	94	Very high	97.7	Very high	64 Å²	64	62 Å²	62	66%	0.66	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-2.4	-177.9	0	0	0	0	0	115.3	L78	L78-G80 PolarHBondContact O-N 3.07Å; L78-G80 VanDerWaalsContact O-N 3.17Å
81	V	97.6	Very high	97.7	Very high	92 Å²	92	64.2 Å²	64.2	56%	0.558	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	178.1	-177.4	0	0	0	0	109.8	I77 L78 M79 V83	I77-V81 WeakPolarHBondContact CA-O 3.34Å; L78-V81 PolarHBondContact N-O 3.29Å; L78-V81 WeakPolarHBondContact O-CB 3.01Å; L78-V81 PolarHBondContact O-N 3.09Å; M79-V81 VanDerWaalsContact C-N 3.3Å; M79-V81 PolarHBondContact O-N 3.2Å; V81-V83 PolarHBondContact O-N 2.81Å
82	P	98	Very high	97.7	Very high	74 Å²	74	59.1 Å²	59.1	48%	0.481	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.7	175.4	29.5	-33	0	0	0	110.7	H75 I77	H75-P82 HydrophobicContact CB-CB 4.16Å; I77-P82 HydrophobicContact CG1-CB 4.36Å
83	V	98.2	Very high	97.7	Very high	68 Å²	68	60.5 Å²	60.5	41%	0.412	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.3	176.4	-177.6	0	0	0	0	109.1	H75 G76 L78 V81 F85	H75-V83 CarbonylContact C-O 3.58Å; H75-V83 VanDerWaalsContact CA-O 3.28Å; H75-V83 WeakPolarHBondContact CA-O 3.11Å; G76-V83 PolarHBondContact N-O 2.89Å; G76-V83 WeakPolarHBondContact O-CB 3.17Å; G76-V83 PolarHBondContact O-N 3.42Å; L78-V83 HydrophobicContact CD1-CG2 4.28Å; V81-V83 PolarHBondContact O-N 2.81Å; V83-F85 PolarHBondContact O-N 2.85Å
84	P	98.1	Very high	97.7	Very high	94 Å²	94	65.5 Å²	65.5	61%	0.61	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	133	179.8	-25	34.1	0	0	0	112.5
85	F	97.8	Very high	97.7	Very high	67 Å²	67	65.4 Å²	65.4	29%	0.294	38%	0.381	S	S	.	.			trans	-117.8	98.7	174.1	-175.5	-104.1	0	0	0	109.9	V74 V83 I87 L113 Y119	V74-F85 HydrophobicContact CB-CB 4.47Å; V74-F85 HydrophobicContact CG1-CB 4.27Å; V74-F85 HydrophobicContact CG1-CD1 4.2Å; V74-F85 PolarHBondContact O-N 3.25Å; V83-F85 PolarHBondContact O-N 2.85Å; F85-I87 HydrophobicContact CD1-CG2 3.74Å; F85-I87 HydrophobicContact CE1-CG2 3.89Å; F85-I87 PolarHBondContact O-N 3.22Å; F85-I87 VanDerWaalsContact O-N 3.16Å; F85-L113 HydrophobicContact CE1-CD1 4.19Å; F85-Y119 HydrophobicContact CE2-CE2 4.21Å; F85-Y119 AromaticContact CE2-CZ 3.92Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.11Å; F85-Y119 HydrophobicContact CZ-CE2 4.3Å
86	P	97.2	Very high	97.6	Very high	115 Å²	115	65.8 Å²	65.8	75%	0.747	40%	0.396	S	S	*	.			trans	-70	113.4	179.6	27.8	-32.5	0	0	0	110.1
87	I	97.9	Very high	97.6	Very high	15 Å²	15	65.3 Å²	65.3	8%	0.077	39%	0.391	C	S	.	.			trans	-83.3	152.3	175.1	64.6	174.8	0	0	0	111.1	A72 V74 F85 E89 P90 L113 W128	A72-I87 HydrophobicContact CB-CD1 3.71Å; V74-I87 HydrophobicContact CB-CG2 4.17Å; V74-I87 HydrophobicContact CG2-CD1 4.22Å; V74-I87 HydrophobicContact CG2-CG2 3.8Å; F85-I87 HydrophobicContact CD1-CG2 3.74Å; F85-I87 HydrophobicContact CE1-CG2 3.89Å; F85-I87 PolarHBondContact O-N 3.22Å; F85-I87 VanDerWaalsContact O-N 3.16Å; I87-E89 VanDerWaalsContact C-N 3.33Å; I87-E89 WeakPolarHBondContact CD1-O 3.48Å; I87-E89 PolarHBondContact O-N 2.84Å; I87-P90 HydrophobicContact CG1-CB 4.28Å; I87-L113 HydrophobicContact CB-CD2 4.15Å; I87-L113 HydrophobicContact CG2-CD1 3.8Å; I87-L113 HydrophobicContact CG2-CD2 4.22Å; I87-W128 HydrophobicContact CD1-CH2 4.29Å; I87-W128 HydrophobicContact CD1-CZ2 3.85Å; I87-W128 HydrophobicContact CG2-CH2 4.44Å
88	P	97	Very high	97.5	Very high	108 Å²	108	70.5 Å²	70.5	70%	0.701	42%	0.419	S	S	*	.	S	Bend	trans	-62	-35.7	-175.6	-25.1	35.4	0	0	0	114.6	L113	P88-L113 VanDerWaalsContact CD-CD2 3.49Å; P88-L113 HydrophobicContact CG-CD2 4.31Å
89	E	98	Very high	97.6	Very high	66 Å²	66	69.7 Å²	69.7	31%	0.308	42%	0.419	S	S	.	.			trans	-125.2	94.9	176.9	-178	55.1	-88	0	0	109.3	I87 D91 K94	I87-E89 VanDerWaalsContact C-N 3.33Å; I87-E89 WeakPolarHBondContact CD1-O 3.48Å; I87-E89 PolarHBondContact O-N 2.84Å; E89-D91 WeakPolarHBondContact OE1-CB 3.44Å; E89-D91 PolarHBondContact OE1-N 3.14Å; E89-K94 HydrophobicContact CG-CB 4.1Å; E89-K94 WeakPolarHBondContact OE2-CD 3.31Å; E89-K94 IonicContact OE2-NZ 3.86Å
90	P	98.4	Very high	97.8	Very high	49 Å²	49	63.9 Å²	63.9	32%	0.318	40%	0.395	S	S	.	.			trans	-83.2	-12.6	176	33.1	-34.6	0	0	0	113.1	K71 A72 I87 G92	K71-P90 CarbonylContact C-O 3.53Å; K71-P90 VanDerWaalsContact CA-O 3.31Å; K71-P90 WeakPolarHBondContact CA-O 3.35Å; K71-P90 HydrophobicContact CG-CB 4.43Å; A72-P90 PolarHBondContact N-O 2.91Å; I87-P90 HydrophobicContact CG1-CB 4.28Å; P90-G92 PolarHBondContact O-N 2.93Å
91	D	98.6	Very high	98	Very high	50 Å²	50	60.9 Å²	60.9	27%	0.267	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-72.8	110	178.2	-173.8	-11.1	0	0	0	110.3	E89 C93 K94 S95	E89-D91 WeakPolarHBondContact OE1-CB 3.44Å; E89-D91 PolarHBondContact OE1-N 3.14Å; D91-C93 PolarHBondContact O-N 2.99Å; D91-C93 VanDerWaalsContact OD1-CB 3.22Å; D91-C93 WeakPolarHBondContact OD1-CB 3.26Å; D91-C93 PolarHBondContact OD1-N 3.02Å; D91-K94 HydrophobicContact CB-CB 4.4Å; D91-K94 HydrophobicContact CB-CD 4.03Å; D91-K94 HydrophobicContact CB-CG 4.19Å; D91-K94 PolarHBondContact O-N 3.11Å; D91-K94 VanDerWaalsContact O-N 3.09Å; D91-K94 VanDerWaalsContact OD2-CE 3.29Å; D91-K94 WeakPolarHBondContact OD2-CE 3.4Å; D91-K94 IonicContact OD2-NZ 3.68Å; D91-S95 PolarHBondContact O-OG 3.08Å; D91-S95 VanDerWaalsContact O-OG 3.07Å
92	G	98.6	Very high	98.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-64.4	-28.1	-179.8	0	0	0	0	0	112.7	S70 P90 K94 S95 I97	S70-G92 PolarHBondContact O-N 2.77Å; S70-G92 VanDerWaalsContact OG-CA 3.27Å; S70-G92 WeakPolarHBondContact OG-CA 3.17Å; P90-G92 PolarHBondContact O-N 2.93Å; G92-K94 PolarHBondContact O-N 3.09Å; G92-S95 PolarHBondContact O-N 3.08Å; G92-I97 WeakPolarHBondContact O-CB 3.3Å
93	C	98.6	Very high	98.1	Very high	33 Å²	33	63.8 Å²	63.8	22%	0.223	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-70.6	-10.3	177	-55.4	0	0	0	0	113.2	S70 D91 I97 C99	S70-C93 PolarHBondContact N-SG 3.39Å; S70-C93 VanDerWaalsContact N-SG 3.44Å; S70-C93 PolarHBondContact OG-N 3.19Å; D91-C93 PolarHBondContact O-N 2.99Å; D91-C93 VanDerWaalsContact OD1-CB 3.22Å; D91-C93 WeakPolarHBondContact OD1-CB 3.26Å; D91-C93 PolarHBondContact OD1-N 3.02Å; C93-I97 CarbonylContact C-O 3.55Å; C93-I97 VanDerWaalsContact C-O 3.31Å; C93-I97 VanDerWaalsContact CA-O 3.22Å; C93-I97 WeakPolarHBondContact CA-O 3.49Å; C93-C99 HydrophobicContact CB-CB 3.7Å; C93-C99 WeakPolarHBondContact CB-SG 3.29Å; C93-C99 WeakPolarHBondContact SG-CB 3.27Å; C93-C99 CovalentContact SG-SG 2.03Å; C93-C99 PolarHBondContact SG-SG 3.14Å
94	K	98.5	Very high	98.1	Very high	139 Å²	139	65.9 Å²	65.9	60%	0.604	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-104.3	0.7	172.1	-63.1	177.7	-171.9	165.8	0	113	E89 D91 G92	E89-K94 HydrophobicContact CG-CB 4.1Å; E89-K94 WeakPolarHBondContact OE2-CD 3.31Å; E89-K94 IonicContact OE2-NZ 3.86Å; D91-K94 HydrophobicContact CB-CB 4.4Å; D91-K94 HydrophobicContact CB-CD 4.03Å; D91-K94 HydrophobicContact CB-CG 4.19Å; D91-K94 PolarHBondContact O-N 3.11Å; D91-K94 VanDerWaalsContact O-N 3.09Å; D91-K94 VanDerWaalsContact OD2-CE 3.29Å; D91-K94 WeakPolarHBondContact OD2-CE 3.4Å; D91-K94 IonicContact OD2-NZ 3.68Å; G92-K94 PolarHBondContact O-N 3.09Å
95	S	98.3	Very high	98.1	Very high	7 Å²	7	65.9 Å²	65.9	5%	0.049	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	50.5	-171.9	-61.3	0	0	0	0	110.6	D91 G92 I97 Y109 L110	D91-S95 PolarHBondContact O-OG 3.08Å; D91-S95 VanDerWaalsContact O-OG 3.07Å; G92-S95 PolarHBondContact O-N 3.08Å; S95-I97 VanDerWaalsContact C-N 3.33Å; S95-I97 PolarHBondContact O-N 3.08Å; S95-Y109 CarbonylContact O-C 3.53Å; S95-Y109 WeakPolarHBondContact O-CA 3.31Å; S95-L110 WeakPolarHBondContact CA-O 2.99Å; S95-L110 VanDerWaalsContact CB-O 3.23Å; S95-L110 WeakPolarHBondContact CB-O 3.39Å; S95-L110 PolarHBondContact O-N 3.34Å
96	G	97	Very high	98.2	Very high	48 Å²	48	66.3 Å²	66.3	50%	0.495	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-8	179.5	0	0	0	0	0	116	S108	G96-S108 CarbonylContact C-O 3.5Å
97	I	98.4	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.338	C	S	.	.			trans	-100.6	120.1	-178.5	-56.4	174.8	0	0	0	110.2	F61 G92 C93 S95 C99 I101 Y107 Y109 L130	F61-I97 HydrophobicContact CE1-CD1 3.82Å; F61-I97 HydrophobicContact CZ-CD1 3.97Å; G92-I97 WeakPolarHBondContact O-CB 3.3Å; C93-I97 CarbonylContact C-O 3.55Å; C93-I97 VanDerWaalsContact C-O 3.31Å; C93-I97 VanDerWaalsContact CA-O 3.22Å; C93-I97 WeakPolarHBondContact CA-O 3.49Å; S95-I97 VanDerWaalsContact C-N 3.33Å; S95-I97 PolarHBondContact O-N 3.08Å; I97-C99 PolarHBondContact O-N 3.12Å; I97-I101 HydrophobicContact CG2-CD1 3.94Å; I97-I101 HydrophobicContact CG2-CG1 3.66Å; I97-Y107 HydrophobicContact CG2-CD1 3.79Å; I97-Y107 HydrophobicContact CG2-CE1 4.09Å; I97-Y107 HydrophobicContact CG2-CG 4.4Å; I97-Y109 HydrophobicContact CD1-CD2 3.95Å; I97-L130 HydrophobicContact CD1-CD2 3.49Å; I97-L130 VanDerWaalsContact CD1-CD2 3.49Å
98	N	96.9	Very high	98.3	Very high	138 Å²	138	63.1 Å²	63.1	74%	0.738	35%	0.35	S	S	*	.			trans	-83.8	107.9	170.9	-69.1	-28.1	0	0	0	110.2
99	C	98.3	Very high	98.4	Very high	44 Å²	44	58 Å²	58	30%	0.297	32%	0.317	S	S	.	.	S	Bend	trans	-82.2	149.8	176.7	-67.2	0	0	0	0	112.2	C93 I97	C93-C99 HydrophobicContact CB-CB 3.7Å; C93-C99 WeakPolarHBondContact CB-SG 3.29Å; C93-C99 WeakPolarHBondContact SG-CB 3.27Å; C93-C99 CovalentContact SG-SG 2.03Å; C93-C99 PolarHBondContact SG-SG 3.14Å; I97-C99 PolarHBondContact O-N 3.12Å
100	P	98.3	Very high	98.4	Very high	71 Å²	71	58.7 Å²	58.7	46%	0.461	32%	0.322	S	S	.	.	S	Bend	cis	-71.5	143.8	4.2	30.2	-35.6	0	0	0	113.1	S67	S67-P100 CarbonylContact O-C 3.57Å; S67-P100 WeakPolarHBondContact O-CA 2.99Å
101	I	98.7	Very high	98.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-68.1	134.9	171.4	-63.6	176	0	0	0	108.1	S63 Q66 S67 I97 Y107 L138	S63-I101 WeakPolarHBondContact OG-CG2 3.23Å; Q66-I101 VanDerWaalsContact CA-O 3.28Å; Q66-I101 WeakPolarHBondContact CA-O 3.39Å; Q66-I101 WeakPolarHBondContact CG-O 3.08Å; S67-I101 PolarHBondContact N-O 2.98Å; S67-I101 PolarHBondContact O-N 2.79Å; I97-I101 HydrophobicContact CG2-CD1 3.94Å; I97-I101 HydrophobicContact CG2-CG1 3.66Å; I101-Y107 WeakPolarHBondContact CA-OH 3.22Å; I101-Y107 HydrophobicContact CG2-CD2 4.4Å; I101-Y107 HydrophobicContact CG2-CE2 3.77Å; I101-L138 HydrophobicContact CD1-CD1 3.54Å
102	Q	98.7	Very high	98.4	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	33%	0.328	S	S	.	.			trans	-108.3	146.4	-178.6	-61.3	179.6	34.4	0	0	109.9	I65 K105 Y107	I65-Q102 CarbonylContact O-C 3.45Å; Q102-K105 HydrophobicContact CB-CB 4.33Å; Q102-K105 HydrophobicContact CB-CD 4.46Å; Q102-Y107 PolarHBondContact N-OH 2.85Å
103	K	98.6	Very high	98.3	Very high	127 Å²	127	62.5 Å²	62.5	55%	0.552	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	144.6	174.6	174.1	170.1	-177.7	-173.5	0	110.8	N64 I65 K105	N64-K103 WeakPolarHBondContact O-CD 3.35Å; N64-K103 WeakPolarHBondContact O-CE 3.33Å; N64-K103 WeakPolarHBondContact O-CG 3.43Å; I65-K103 VanDerWaalsContact O-CA 3.26Å; I65-K103 WeakPolarHBondContact O-CA 3.46Å; I65-K103 PolarHBondContact O-N 3.4Å; I65-K103 VanDerWaalsContact O-N 3.14Å; K103-K105 PolarHBondContact O-N 2.76Å; K103-K105 VanDerWaalsContact O-N 3.15Å
104	D	98.5	Very high	98.3	Very high	112 Å²	112	64 Å²	64	60%	0.599	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	18.6	177.2	-53.3	-34.3	0	0	0	114.2	S63	S63-D104 VanDerWaalsContact O-CA 3.28Å; S63-D104 WeakPolarHBondContact O-CA 3.44Å; S63-D104 PolarHBondContact O-N 2.87Å
105	K	98.6	Very high	98.2	Very high	94 Å²	94	57.9 Å²	57.9	41%	0.409	32%	0.317	S	S	.	.			trans	-105.8	140.7	177.8	-177.5	169	172	-176	0	111.3	T62 S63 Q102 K103 Y107	T62-K105 WeakPolarHBondContact CA-O 3.4Å; S63-K105 PolarHBondContact N-O 2.86Å; Q102-K105 HydrophobicContact CB-CB 4.33Å; Q102-K105 HydrophobicContact CB-CD 4.46Å; K103-K105 PolarHBondContact O-N 2.76Å; K103-K105 VanDerWaalsContact O-N 3.15Å; K105-Y107 HydrophobicContact CB-CE2 3.69Å; K105-Y107 HydrophobicContact CD-CE1 4.36Å; K105-Y107 HydrophobicContact CD-CE2 4.14Å; K105-Y107 WeakPolarHBondContact CD-OH 3.38Å; K105-Y107 HydrophobicContact CG-CD2 4.34Å; K105-Y107 HydrophobicContact CG-CE2 3.69Å; K105-Y107 VanDerWaalsContact O-CD2 3.29Å; K105-Y107 WeakPolarHBondContact O-CD2 3.27Å; K105-Y107 WeakPolarHBondContact O-CE2 3.43Å
106	T	98.8	Very high	98.1	Very high	76 Å²	76	62.2 Å²	62.2	47%	0.466	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.4	175.5	-58.9	0	0	0	0	111.1	T60 F61 T62	T60-T106 HydrophobicContact CG2-CG2 3.59Å; F61-T106 CarbonylContact O-C 3.31Å; F61-T106 VanDerWaalsContact O-CA 3.28Å; F61-T106 WeakPolarHBondContact O-CA 3.09Å; T62-T106 PolarHBondContact OG1-OG1 3.22Å
107	Y	98.7	Very high	98	Very high	15 Å²	15	64.4 Å²	64.4	6%	0.059	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.5	-179	-65.2	-92.5	0	0	0	110.2	T60 F61 I97 I101 Q102 K105	T60-Y107 WeakPolarHBondContact CA-O 3.46Å; F61-Y107 HydrophobicContact CZ-CD2 4.39Å; F61-Y107 HydrophobicContact CZ-CG 4.44Å; F61-Y107 PolarHBondContact N-O 2.88Å; F61-Y107 PolarHBondContact O-N 3.22Å; I97-Y107 HydrophobicContact CG2-CD1 3.79Å; I97-Y107 HydrophobicContact CG2-CE1 4.09Å; I97-Y107 HydrophobicContact CG2-CG 4.4Å; I101-Y107 WeakPolarHBondContact CA-OH 3.22Å; I101-Y107 HydrophobicContact CG2-CD2 4.4Å; I101-Y107 HydrophobicContact CG2-CE2 3.77Å; Q102-Y107 PolarHBondContact N-OH 2.85Å; K105-Y107 HydrophobicContact CB-CE2 3.69Å; K105-Y107 HydrophobicContact CD-CE1 4.36Å; K105-Y107 HydrophobicContact CD-CE2 4.14Å; K105-Y107 WeakPolarHBondContact CD-OH 3.38Å; K105-Y107 HydrophobicContact CG-CD2 4.34Å; K105-Y107 HydrophobicContact CG-CE2 3.69Å; K105-Y107 VanDerWaalsContact O-CD2 3.29Å; K105-Y107 WeakPolarHBondContact O-CD2 3.27Å; K105-Y107 WeakPolarHBondContact O-CE2 3.43Å
108	S	98.6	Very high	97.9	Very high	49 Å²	49	71.7 Å²	71.7	34%	0.343	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.6	166.7	-61.7	0	0	0	0	109	V59 T60 G96	V59-S108 CarbonylContact O-C 3.57Å; V59-S108 WeakPolarHBondContact O-CA 3.22Å; T60-S108 PolarHBondContact OG1-OG 2.75Å; G96-S108 CarbonylContact C-O 3.5Å
109	Y	98.8	Very high	97.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.4	168.6	175.1	-96.4	0	0	0	109.1	N58 V59 A72 S95 I97 N111 W128 L130 F139	N58-Y109 CarbonylContact C-O 3.48Å; N58-Y109 VanDerWaalsContact CA-O 3.27Å; N58-Y109 WeakPolarHBondContact CA-O 3.36Å; V59-Y109 HydrophobicContact CG2-CD1 4.34Å; V59-Y109 PolarHBondContact N-O 2.89Å; V59-Y109 PolarHBondContact O-N 3.06Å; A72-Y109 HydrophobicContact CB-CE2 4.28Å; A72-Y109 VanDerWaalsContact CB-OH 3.3Å; A72-Y109 WeakPolarHBondContact CB-OH 3.35Å; S95-Y109 CarbonylContact O-C 3.53Å; S95-Y109 WeakPolarHBondContact O-CA 3.31Å; I97-Y109 HydrophobicContact CD1-CD2 3.95Å; Y109-N111 HydrophobicContact CE1-CB 3.97Å; Y109-N111 PolarHBondContact OH-ND2 3.07Å; Y109-W128 AromaticContact CE1-CE2 3.67Å; Y109-W128 AromaticContact CE1-CZ2 3.57Å; Y109-W128 HydrophobicContact CE1-CZ2 3.57Å; Y109-W128 AromaticContact CE1-NE1 3.46Å; Y109-W128 AromaticContact CZ-CZ2 3.87Å; Y109-W128 AromaticContact CZ-NE1 3.82Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.41Å; Y109-L130 HydrophobicContact CD2-CD1 3.99Å; Y109-L130 HydrophobicContact CD2-CD2 4.34Å; Y109-L130 HydrophobicContact CE2-CD1 3.93Å; Y109-F139 HydrophobicContact CD1-CZ 4.06Å; Y109-F139 HydrophobicContact CG-CE1 4.4Å; Y109-F139 HydrophobicContact CG-CZ 4.07Å
110	L	98.6	Very high	97.7	Very high	80 Å²	80	69.3 Å²	69.3	42%	0.419	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.7	-175.2	-58.5	177.6	0	0	0	110.6	V57 N58 S95	V57-L110 WeakPolarHBondContact O-CA 3.34Å; N58-L110 HydrophobicContact CB-CD2 3.72Å; N58-L110 WeakPolarHBondContact ND2-CD2 3.24Å; S95-L110 WeakPolarHBondContact CA-O 2.99Å; S95-L110 VanDerWaalsContact CB-O 3.23Å; S95-L110 WeakPolarHBondContact CB-O 3.39Å; S95-L110 PolarHBondContact O-N 3.34Å
111	N	98.3	Very high	97.7	Very high	20 Å²	20	69.2 Å²	69.2	11%	0.107	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159	169.7	-149.3	-61.1	0	0	0	110.7	S56 V57 Y109 L113 W128	S56-N111 CarbonylContact C-O 3.56Å; S56-N111 WeakPolarHBondContact CA-O 3.4Å; V57-N111 HydrophobicContact CB-CB 4.44Å; V57-N111 PolarHBondContact N-O 3Å; V57-N111 PolarHBondContact O-N 2.93Å; Y109-N111 HydrophobicContact CE1-CB 3.97Å; Y109-N111 PolarHBondContact OH-ND2 3.07Å; N111-L113 WeakPolarHBondContact OD1-CD2 3.18Å; N111-W128 HydrophobicContact CB-CH2 3.92Å; N111-W128 HydrophobicContact CB-CZ2 3.98Å
112	K	98.1	Very high	97.6	Very high	136 Å²	136	72.4 Å²	72.4	59%	0.591	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	118.9	173.1	-177	173.9	176.5	174.9	0	109.2	Y55	Y55-K112 WeakPolarHBondContact O-CA 3.47Å
113	L	97.9	Very high	97.6	Very high	23 Å²	23	74.5 Å²	74.5	12%	0.12	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135	-173.4	-62.5	178	0	0	0	111.5	S54 Y55 F85 I87 P88 N111 W128	S54-L113 WeakPolarHBondContact CA-O 3.45Å; Y55-L113 PolarHBondContact N-O 3.18Å; Y55-L113 PolarHBondContact O-N 2.78Å; F85-L113 HydrophobicContact CE1-CD1 4.19Å; I87-L113 HydrophobicContact CB-CD2 4.15Å; I87-L113 HydrophobicContact CG2-CD1 3.8Å; I87-L113 HydrophobicContact CG2-CD2 4.22Å; P88-L113 VanDerWaalsContact CD-CD2 3.49Å; P88-L113 HydrophobicContact CG-CD2 4.31Å; N111-L113 WeakPolarHBondContact OD1-CD2 3.18Å; L113-W128 HydrophobicContact CD1-CH2 3.62Å; L113-W128 HydrophobicContact CD1-CZ3 3.71Å; L113-W128 HydrophobicContact CG-CH2 4.41Å
114	P	97.1	Very high	97.6	Very high	64 Å²	64	69.9 Å²	69.9	42%	0.416	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.9	169.1	32.5	-33.1	0	0	0	111.1
115	V	97.2	Very high	97.6	Very high	11 Å²	11	66.7 Å²	66.7	7%	0.067	35%	0.353	C	S	.	.			trans	-88.9	104.7	166.4	-175.4	0	0	0	0	106.8	L49 K51 G52 Q53 Y55 Y119 I147	L49-V115 HydrophobicContact CB-CG2 3.92Å; K51-V115 HydrophobicContact CG-CG1 4.19Å; G52-V115 PolarHBondContact N-O 3.19Å; Q53-V115 PolarHBondContact O-N 2.89Å; Y55-V115 HydrophobicContact CD2-CG2 3.68Å; Y55-V115 HydrophobicContact CE2-CG2 3.79Å; V115-Y119 HydrophobicContact CG1-CD2 4.07Å; V115-I147 HydrophobicContact CG1-CG2 3.89Å
116	K	96	Very high	97.6	Very high	99 Å²	99	63.5 Å²	63.5	43%	0.43	34%	0.341	S	S	.	.			trans	-67.6	147.2	-174.4	-60	-176.5	-174.1	174.9	0	111.7	E118 Y119	K116-E118 HydrophobicContact CB-CG 3.92Å; K116-E118 HydrophobicContact CD-CG 4.36Å; K116-E118 WeakPolarHBondContact CD-OE1 3.32Å; K116-E118 IonicContact NZ-OE1 3.63Å; K116-E118 PolarHBondContact O-N 3.36Å; K116-Y119 HydrophobicContact CB-CD1 3.91Å; K116-Y119 HydrophobicContact CB-CD2 4.15Å; K116-Y119 HydrophobicContact CB-CE1 3.76Å; K116-Y119 HydrophobicContact CB-CE2 4.01Å; K116-Y119 HydrophobicContact CB-CG 4.1Å; K116-Y119 HydrophobicContact CD-CE1 3.71Å; K116-Y119 WeakPolarHBondContact CE-OH 3.27Å; K116-Y119 HydrophobicContact CG-CE1 3.92Å; K116-Y119 HydrophobicContact CG-CE2 4.05Å; K116-Y119 WeakPolarHBondContact O-CB 3.41Å; K116-Y119 PolarHBondContact O-N 2.8Å
117	S	95.7	Very high	97.6	Very high	93 Å²	93	61.6 Å²	61.6	65%	0.65	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.7	178.7	-55.2	0	0	0	0	114	Y119	S117-Y119 VanDerWaalsContact C-N 3.32Å
118	E	95.2	Very high	97.6	Very high	153 Å²	153	61.1 Å²	61.1	72%	0.715	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15	177.1	67.5	-165.1	-157.8	0	0	113.9	K116	K116-E118 HydrophobicContact CB-CG 3.92Å; K116-E118 HydrophobicContact CD-CG 4.36Å; K116-E118 WeakPolarHBondContact CD-OE1 3.32Å; K116-E118 IonicContact NZ-OE1 3.63Å; K116-E118 PolarHBondContact O-N 3.36Å
119	Y	95.5	Very high	97.6	Very high	49 Å²	49	60.5 Å²	60.5	19%	0.192	32%	0.317	C	S	.	.	S	Bend	trans	-65.2	142.3	-178.7	-67.1	-12.2	0	0	0	111.2	K51 F85 V115 K116 S117 I147	K51-Y119 WeakPolarHBondContact CD-O 3.49Å; K51-Y119 WeakPolarHBondContact CE-O 3.37Å; K51-Y119 PolarHBondContact NZ-O 3.35Å; F85-Y119 HydrophobicContact CE2-CE2 4.21Å; F85-Y119 AromaticContact CE2-CZ 3.92Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.11Å; F85-Y119 HydrophobicContact CZ-CE2 4.3Å; V115-Y119 HydrophobicContact CG1-CD2 4.07Å; K116-Y119 HydrophobicContact CB-CD1 3.91Å; K116-Y119 HydrophobicContact CB-CD2 4.15Å; K116-Y119 HydrophobicContact CB-CE1 3.76Å; K116-Y119 HydrophobicContact CB-CE2 4.01Å; K116-Y119 HydrophobicContact CB-CG 4.1Å; K116-Y119 HydrophobicContact CD-CE1 3.71Å; K116-Y119 WeakPolarHBondContact CE-OH 3.27Å; K116-Y119 HydrophobicContact CG-CE1 3.92Å; K116-Y119 HydrophobicContact CG-CE2 4.05Å; K116-Y119 WeakPolarHBondContact O-CB 3.41Å; K116-Y119 PolarHBondContact O-N 2.8Å; S117-Y119 VanDerWaalsContact C-N 3.32Å; Y119-I147 HydrophobicContact CD2-CD1 4.48Å
120	P	95.7	Very high	97.6	Very high	83 Å²	83	60.5 Å²	60.5	54%	0.539	32%	0.317	S	S	.	.			trans	-66.6	148.1	177.9	28	-34.4	0	0	0	110.9	I122 I147	P120-I122 HydrophobicContact CG-CG2 4.19Å; P120-I122 PolarHBondContact O-N 2.79Å; P120-I147 WeakPolarHBondContact O-CB 3.03Å; P120-I147 VanDerWaalsContact O-CG2 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.03Å
121	S	98	Very high	97.6	Very high	70 Å²	70	58 Å²	58	49%	0.49	30%	0.303	S	S	.	.			trans	-78.1	109.5	169	-57.1	0	0	0	0	108.3	K51 I147	K51-S121 WeakPolarHBondContact CE-OG 3.4Å; K51-S121 PolarHBondContact NZ-OG 3.04Å; S121-I147 CarbonylContact C-O 3.47Å; S121-I147 WeakPolarHBondContact CA-O 3.41Å
122	I	97.4	Very high	97.7	Very high	67 Å²	67	57.3 Å²	57.3	34%	0.344	30%	0.299	S	S	.	.			trans	-154.9	154.4	-169.8	-167.1	160.6	0	0	0	111.2	L78 P120 L124 Q146 I147	L78-I122 HydrophobicContact CD2-CD1 3.6Å; L78-I122 HydrophobicContact CD2-CG1 4.08Å; P120-I122 HydrophobicContact CG-CG2 4.19Å; P120-I122 PolarHBondContact O-N 2.79Å; I122-L124 HydrophobicContact CG2-CD2 3.95Å; I122-Q146 CarbonylContact O-C 3.49Å; I122-Q146 WeakPolarHBondContact O-CA 3.22Å; I122-I147 PolarHBondContact N-O 3.2Å; I122-I147 VanDerWaalsContact N-O 3.16Å; I122-I147 PolarHBondContact O-N 2.93Å
123	K	98.2	Very high	97.7	Very high	144 Å²	144	53.7 Å²	53.7	63%	0.626	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	134	168.6	-66.5	-179.1	178.1	-178.2	0	109.5	V145 Q146	K123-V145 WeakPolarHBondContact CA-O 3.25Å; K123-Q146 HydrophobicContact CG-CB 4.08Å; K123-Q146 HydrophobicContact CG-CG 3.75Å
124	L	98.5	Very high	97.7	Very high	30 Å²	30	59.7 Å²	59.7	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	168	177.7	68.1	152.1	0	0	0	110.5	L78 I122 V126 V145 I147	L78-L124 HydrophobicContact CD2-CB 3.64Å; L78-L124 HydrophobicContact CG-CB 4.39Å; I122-L124 HydrophobicContact CG2-CD2 3.95Å; L124-V126 HydrophobicContact CD1-CG2 4.48Å; L124-V145 HydrophobicContact CD1-CG2 4.45Å; L124-V145 HydrophobicContact CD2-CG2 3.58Å; L124-V145 HydrophobicContact CG-CG2 3.63Å; L124-V145 PolarHBondContact N-O 2.72Å; L124-V145 PolarHBondContact O-N 3.38Å; L124-V145 VanDerWaalsContact O-O 3.04Å; L124-I147 HydrophobicContact CD2-CD1 4.18Å; L124-I147 HydrophobicContact CD2-CG1 4.21Å
125	V	98.8	Very high	97.7	Very high	45 Å²	45	62 Å²	62	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.2	165.1	175.4	0	0	0	0	107.6	I77 E142 I143	I77-V125 HydrophobicContact CB-CB 4.18Å; I77-V125 HydrophobicContact CD1-CG1 4.35Å; I77-V125 PolarHBondContact N-O 2.92Å; I77-V125 PolarHBondContact O-N 2.86Å; V125-E142 HydrophobicContact CG1-CB 3.73Å; V125-E142 HydrophobicContact CG1-CG 3.91Å; V125-I143 WeakPolarHBondContact CA-O 3.36Å
126	V	98.7	Very high	97.8	Very high	26 Å²	26	65.8 Å²	65.8	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.6	168.5	170.5	0	0	0	0	107.2	V74 L124 W128 W141 E142 I143 V145	V74-V126 HydrophobicContact CG1-CG1 4.28Å; L124-V126 HydrophobicContact CD1-CG2 4.48Å; V126-W128 HydrophobicContact CG1-CE3 4.44Å; V126-W141 HydrophobicContact CG1-CH2 4.26Å; V126-W141 HydrophobicContact CG1-CZ3 4.04Å; V126-E142 WeakPolarHBondContact O-CA 3.41Å; V126-I143 HydrophobicContact CB-CG1 4.48Å; V126-I143 PolarHBondContact N-O 2.78Å; V126-I143 PolarHBondContact O-N 2.93Å; V126-V145 HydrophobicContact CB-CG1 4.47Å; V126-V145 HydrophobicContact CG2-CB 4.49Å; V126-V145 HydrophobicContact CG2-CG1 3.91Å; V126-V145 HydrophobicContact CG2-CG2 3.69Å
127	E	98.9	Very high	97.9	Very high	36 Å²	36	61.2 Å²	61.2	17%	0.168	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.7	167	-178.4	-166.9	83.4	0	0	108	V74 H75 I77 W141 E142	V74-E127 WeakPolarHBondContact CA-O 3.31Å; H75-E127 HydrophobicContact CB-CB 4.33Å; H75-E127 IonicContact CE1-OE1 3.81Å; H75-E127 IonicContact CG-OE1 2.88Å; H75-E127 PolarHBondContact N-O 2.91Å; H75-E127 IonicContact ND1-OE1 3.85Å; H75-E127 PolarHBondContact ND1-OE1 2.98Å; H75-E127 PolarHBondContact O-N 3.42Å; I77-E127 HydrophobicContact CD1-CB 4.07Å; I77-E127 HydrophobicContact CG1-CB 4.39Å; E127-W141 WeakPolarHBondContact CA-O 3.36Å; E127-E142 HydrophobicContact CB-CG 4.17Å; E127-E142 HydrophobicContact CG-CG 4.27Å
128	W	98.9	Very high	98	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.8	178.4	-162.4	-57.5	0	0	0	110.1	V57 V74 I87 Y109 N111 L113 V126 F139 C140 W141	V57-W128 HydrophobicContact CG2-CH2 4.36Å; V57-W128 HydrophobicContact CG2-CZ3 3.96Å; V74-W128 HydrophobicContact CG1-CE3 4.07Å; V74-W128 HydrophobicContact CG1-CZ3 4.46Å; V74-W128 HydrophobicContact CG2-CD2 3.52Å; V74-W128 HydrophobicContact CG2-CE3 3.72Å; V74-W128 HydrophobicContact CG2-CG 3.99Å; V74-W128 HydrophobicContact CG2-CH2 4.13Å; V74-W128 HydrophobicContact CG2-CZ2 3.92Å; V74-W128 HydrophobicContact CG2-CZ3 4.02Å; I87-W128 HydrophobicContact CD1-CH2 4.29Å; I87-W128 HydrophobicContact CD1-CZ2 3.85Å; I87-W128 HydrophobicContact CG2-CH2 4.44Å; Y109-W128 AromaticContact CE1-CE2 3.67Å; Y109-W128 AromaticContact CE1-CZ2 3.57Å; Y109-W128 HydrophobicContact CE1-CZ2 3.57Å; Y109-W128 AromaticContact CE1-NE1 3.46Å; Y109-W128 AromaticContact CZ-CZ2 3.87Å; Y109-W128 AromaticContact CZ-NE1 3.82Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.41Å; N111-W128 HydrophobicContact CB-CH2 3.92Å; N111-W128 HydrophobicContact CB-CZ2 3.98Å; L113-W128 HydrophobicContact CD1-CH2 3.62Å; L113-W128 HydrophobicContact CD1-CZ3 3.71Å; L113-W128 HydrophobicContact CG-CH2 4.41Å; V126-W128 HydrophobicContact CG1-CE3 4.44Å; W128-F139 AromaticContact CD1-CE2 3.94Å; W128-C140 WeakPolarHBondContact O-CA 3.2Å; W128-W141 HydrophobicContact CB-CD2 3.88Å; W128-W141 VanDerWaalsContact CB-CE2 3.44Å; W128-W141 HydrophobicContact CB-CE3 4.14Å; W128-W141 HydrophobicContact CB-CH2 3.64Å; W128-W141 HydrophobicContact CB-CZ2 3.33Å; W128-W141 HydrophobicContact CB-CZ3 4.01Å; W128-W141 HydrophobicContact CD2-CH2 4.2Å; W128-W141 AromaticContact CD2-CZ2 3.82Å; W128-W141 HydrophobicContact CD2-CZ2 3.82Å; W128-W141 AromaticContact CE3-CH2 3.88Å; W128-W141 HydrophobicContact CE3-CH2 3.88Å; W128-W141 AromaticContact CE3-CZ2 3.94Å; W128-W141 HydrophobicContact CE3-CZ2 3.94Å; W128-W141 AromaticContact CG-CE2 3.95Å; W128-W141 HydrophobicContact CG-CH2 4.15Å; W128-W141 AromaticContact CG-CZ2 3.58Å; W128-W141 HydrophobicContact CG-CZ2 3.58Å; W128-W141 PolarHBondContact N-O 2.95Å; W128-W141 PolarHBondContact O-N 3.44Å
129	Q	98.9	Very high	98.2	Very high	37 Å²	37	49.5 Å²	49.5	17%	0.173	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.5	177.4	-166.8	-174.7	15.9	0	0	110.2	A72 V73 Q131 S137 F139 C140	A72-Q129 CarbonylContact C-O 3.55Å; A72-Q129 VanDerWaalsContact CA-O 3.31Å; A72-Q129 WeakPolarHBondContact CA-O 3.07Å; V73-Q129 PolarHBondContact N-O 3.43Å; V73-Q129 PolarHBondContact O-N 2.94Å; Q129-Q131 HydrophobicContact CG-CG 4.01Å; Q129-S137 PolarHBondContact NE2-OG 2.03Å; Q129-F139 WeakPolarHBondContact CA-O 2.94Å; Q129-F139 WeakPolarHBondContact CG-O 3.45Å; Q129-C140 HydrophobicContact CG-CB 4.32Å
130	L	98.9	Very high	98.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.7	161.9	-173	73.9	0	0	0	108.6	F61 A72 I97 Y109 L138 F139	F61-L130 HydrophobicContact CE1-CD2 3.98Å; F61-L130 HydrophobicContact CZ-CD2 3.79Å; A72-L130 HydrophobicContact CB-CD1 4.3Å; I97-L130 HydrophobicContact CD1-CD2 3.49Å; I97-L130 VanDerWaalsContact CD1-CD2 3.49Å; Y109-L130 HydrophobicContact CD2-CD1 3.99Å; Y109-L130 HydrophobicContact CD2-CD2 4.34Å; Y109-L130 HydrophobicContact CE2-CD1 3.93Å; L130-L138 HydrophobicContact CD2-CB 4.5Å; L130-L138 HydrophobicContact CD2-CD1 3.97Å; L130-L138 HydrophobicContact CG-CD1 4.19Å; L130-L138 WeakPolarHBondContact O-CB 3.09Å; L130-L138 PolarHBondContact O-N 2.79Å; L130-F139 HydrophobicContact CB-CD1 3.76Å; L130-F139 HydrophobicContact CB-CD2 4.16Å; L130-F139 HydrophobicContact CB-CE1 3.41Å; L130-F139 VanDerWaalsContact CB-CE1 3.41Å; L130-F139 HydrophobicContact CB-CE2 3.8Å; L130-F139 HydrophobicContact CB-CG 4.13Å; L130-F139 HydrophobicContact CB-CZ 3.43Å; L130-F139 VanDerWaalsContact CB-CZ 3.43Å; L130-F139 HydrophobicContact CD2-CD1 4.09Å; L130-F139 HydrophobicContact CD2-CE1 3.53Å; L130-F139 HydrophobicContact CD2-CZ 4.19Å; L130-F139 HydrophobicContact CG-CE1 4.08Å; L130-F139 HydrophobicContact CG-CZ 4.36Å; L130-F139 PolarHBondContact N-O 3.2Å; L130-F139 PolarHBondContact O-N 2.9Å
131	Q	98.9	Very high	98.5	Very high	27 Å²	27	43.6 Å²	43.6	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.7	-179.6	-65.3	178.5	0.2	0	0	111.2	S70 K71 V73 Q129 Q136	S70-Q131 CarbonylContact C-O 3.57Å; S70-Q131 WeakPolarHBondContact CA-O 3.11Å; S70-Q131 WeakPolarHBondContact CB-O 3.17Å; K71-Q131 PolarHBondContact N-O 2.88Å; K71-Q131 PolarHBondContact O-N 3Å; V73-Q131 HydrophobicContact CG2-CG 4.39Å; Q129-Q131 HydrophobicContact CG-CG 4.01Å; Q131-Q136 CarbonylContact C-O 3.58Å; Q131-Q136 WeakPolarHBondContact CA-O 3.41Å
132	D	98.6	Very high	98.6	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.027	20%	0.204	C	C	.	.			trans	-81.4	-176.3	171.1	75.8	-0	0	0	0	112.1	I65 S67 K134 N135 Q136 L138	I65-D132 HydrophobicContact CD1-CB 3.89Å; I65-D132 WeakPolarHBondContact CD1-OD2 3.37Å; S67-D132 WeakPolarHBondContact OG-CB 3.44Å; D132-K134 PolarHBondContact O-N 2.72Å; D132-K134 VanDerWaalsContact OD1-CA 3.24Å; D132-K134 WeakPolarHBondContact OD1-CA 3.28Å; D132-K134 WeakPolarHBondContact OD1-CB 3.49Å; D132-K134 PolarHBondContact OD1-N 3.36Å; D132-N135 PolarHBondContact O-N 2.69Å; D132-N135 VanDerWaalsContact O-N 3.07Å; D132-N135 PolarHBondContact OD1-N 3.17Å; D132-Q136 PolarHBondContact N-O 2.87Å; D132-Q136 PolarHBondContact OD1-N 2.84Å; D132-L138 HydrophobicContact CB-CD1 4.24Å; D132-L138 HydrophobicContact CB-CD2 4.18Å; D132-L138 HydrophobicContact CB-CG 3.95Å
133	D	98.2	Very high	98.6	Very high	60 Å²	60	38.8 Å²	38.8	32%	0.321	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.4	175.3	62.2	-15	0	0	0	115.2	S67 K68 S69	S67-D133 WeakPolarHBondContact OG-CB 3.46Å; S67-D133 PolarHBondContact OG-N 2.84Å; S67-D133 PolarHBondContact OG-OD1 2.92Å; K68-D133 HydrophobicContact CB-CB 4.42Å; K68-D133 WeakPolarHBondContact CB-OD2 3.33Å; K68-D133 WeakPolarHBondContact CG-OD2 3.18Å; K68-D133 PolarHBondContact N-OD2 2.78Å; S69-D133 PolarHBondContact O-N 2.89Å; S69-D133 WeakPolarHBondContact OG-CB 3.47Å
134	K	98.1	Very high	98.6	Very high	149 Å²	149	34.8 Å²	34.8	65%	0.648	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	7.4	171.5	-61.8	177.1	-175.7	171.2	0	112.6	D132 Q136	D132-K134 PolarHBondContact O-N 2.72Å; D132-K134 VanDerWaalsContact OD1-CA 3.24Å; D132-K134 WeakPolarHBondContact OD1-CA 3.28Å; D132-K134 WeakPolarHBondContact OD1-CB 3.49Å; D132-K134 PolarHBondContact OD1-N 3.36Å; K134-Q136 HydrophobicContact CB-CG 4.34Å; K134-Q136 PolarHBondContact O-N 2.93Å
135	N	97.8	Very high	98.6	Very high	112 Å²	112	33.7 Å²	33.7	60%	0.599	17%	0.172	S	C	*	.	S	Bend	trans	63.1	20.1	-173.6	-47.5	-72	0	0	0	114.4	D132	D132-N135 PolarHBondContact O-N 2.69Å; D132-N135 VanDerWaalsContact O-N 3.07Å; D132-N135 PolarHBondContact OD1-N 3.17Å
136	Q	98.4	Very high	98.6	Very high	91 Å²	91	34.1 Å²	34.1	43%	0.425	17%	0.171	S	C	.	.			trans	-88.6	158.6	170.2	-57.7	-159	-100.4	0	0	111	D31 Q131 D132 K134 L138	D31-Q136 WeakPolarHBondContact OD2-CB 3.44Å; Q131-Q136 CarbonylContact C-O 3.58Å; Q131-Q136 WeakPolarHBondContact CA-O 3.41Å; D132-Q136 PolarHBondContact N-O 2.87Å; D132-Q136 PolarHBondContact OD1-N 2.84Å; K134-Q136 HydrophobicContact CB-CG 4.34Å; K134-Q136 PolarHBondContact O-N 2.93Å; Q136-L138 PolarHBondContact O-N 2.61Å
137	S	98.7	Very high	98.6	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	105.4	-167.7	-162.5	0	0	0	0	111.7	G28 V30 D31 Q129 F139	G28-S137 WeakPolarHBondContact O-CB 3.29Å; G28-S137 PolarHBondContact O-OG 3.16Å; V30-S137 PolarHBondContact N-O 2.85Å; D31-S137 PolarHBondContact N-O 2.88Å; Q129-S137 PolarHBondContact NE2-OG 2.03Å; S137-F139 VanDerWaalsContact C-N 3.29Å; S137-F139 VanDerWaalsContact OG-C 3.28Å; S137-F139 PolarHBondContact OG-O 2.79Å
138	L	98.8	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-42	165.9	-68.6	167	0	0	0	110	D31 G32 F61 I65 I101 L130 D132 Q136	D31-L138 HydrophobicContact CB-CD2 4.19Å; G32-L138 CarbonylContact C-O 3.58Å; G32-L138 WeakPolarHBondContact CA-O 3.33Å; G32-L138 PolarHBondContact N-O 3Å; F61-L138 HydrophobicContact CE2-CB 4.07Å; F61-L138 HydrophobicContact CE2-CD1 4.48Å; I65-L138 HydrophobicContact CD1-CD2 4.06Å; I65-L138 HydrophobicContact CG1-CD2 3.91Å; I101-L138 HydrophobicContact CD1-CD1 3.54Å; L130-L138 HydrophobicContact CD2-CB 4.5Å; L130-L138 HydrophobicContact CD2-CD1 3.97Å; L130-L138 HydrophobicContact CG-CD1 4.19Å; L130-L138 WeakPolarHBondContact O-CB 3.09Å; L130-L138 PolarHBondContact O-N 2.79Å; D132-L138 HydrophobicContact CB-CD1 4.24Å; D132-L138 HydrophobicContact CB-CD2 4.18Å; D132-L138 HydrophobicContact CB-CG 3.95Å; Q136-L138 PolarHBondContact O-N 2.61Å
139	F	98.8	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.4	165.7	67.2	-109.5	0	0	0	112.1	S29 I34 V59 F61 Y109 W128 Q129 L130 S137 W141	S29-F139 VanDerWaalsContact OG-CA 3.32Å; S29-F139 WeakPolarHBondContact OG-CA 3.28Å; I34-F139 HydrophobicContact CD1-CB 3.87Å; I34-F139 HydrophobicContact CG1-CB 3.47Å; I34-F139 VanDerWaalsContact CG1-CB 3.47Å; I34-F139 HydrophobicContact CG1-CG 4.18Å; V59-F139 HydrophobicContact CB-CE1 4.16Å; V59-F139 HydrophobicContact CB-CE2 4.4Å; V59-F139 HydrophobicContact CB-CZ 3.9Å; V59-F139 HydrophobicContact CG1-CD1 4.12Å; V59-F139 HydrophobicContact CG1-CD2 4.26Å; V59-F139 HydrophobicContact CG1-CE1 3.88Å; V59-F139 HydrophobicContact CG1-CE2 4.07Å; V59-F139 HydrophobicContact CG1-CG 4.31Å; V59-F139 HydrophobicContact CG1-CZ 3.86Å; V59-F139 HydrophobicContact CG2-CE2 4.18Å; V59-F139 HydrophobicContact CG2-CZ 4Å; F61-F139 HydrophobicContact CB-CD1 4.05Å; F61-F139 AromaticContact CD1-CD1 3.68Å; F61-F139 HydrophobicContact CD1-CD1 3.68Å; F61-F139 AromaticContact CD1-CE1 3.69Å; F61-F139 HydrophobicContact CD1-CE1 3.69Å; F61-F139 HydrophobicContact CD2-CD1 4.05Å; F61-F139 HydrophobicContact CE1-CD1 4.1Å; F61-F139 AromaticContact CE1-CE1 3.89Å; F61-F139 HydrophobicContact CE1-CE1 3.89Å; F61-F139 HydrophobicContact CE2-CD1 4.45Å; F61-F139 AromaticContact CG-CD1 3.65Å; F61-F139 HydrophobicContact CG-CD1 3.65Å; F61-F139 HydrophobicContact CG-CE1 4.16Å; F61-F139 HydrophobicContact CZ-CD1 4.47Å; Y109-F139 HydrophobicContact CD1-CZ 4.06Å; Y109-F139 HydrophobicContact CG-CE1 4.4Å; Y109-F139 HydrophobicContact CG-CZ 4.07Å; W128-F139 AromaticContact CD1-CE2 3.94Å; Q129-F139 WeakPolarHBondContact CA-O 2.94Å; Q129-F139 WeakPolarHBondContact CG-O 3.45Å; L130-F139 HydrophobicContact CB-CD1 3.76Å; L130-F139 HydrophobicContact CB-CD2 4.16Å; L130-F139 HydrophobicContact CB-CE1 3.41Å; L130-F139 VanDerWaalsContact CB-CE1 3.41Å; L130-F139 HydrophobicContact CB-CE2 3.8Å; L130-F139 HydrophobicContact CB-CG 4.13Å; L130-F139 HydrophobicContact CB-CZ 3.43Å; L130-F139 VanDerWaalsContact CB-CZ 3.43Å; L130-F139 HydrophobicContact CD2-CD1 4.09Å; L130-F139 HydrophobicContact CD2-CE1 3.53Å; L130-F139 HydrophobicContact CD2-CZ 4.19Å; L130-F139 HydrophobicContact CG-CE1 4.08Å; L130-F139 HydrophobicContact CG-CZ 4.36Å; L130-F139 PolarHBondContact N-O 3.2Å; L130-F139 PolarHBondContact O-N 2.9Å; S137-F139 VanDerWaalsContact C-N 3.29Å; S137-F139 VanDerWaalsContact OG-C 3.28Å; S137-F139 PolarHBondContact OG-O 2.79Å; F139-W141 AromaticContact CD2-CD1 3.66Å; F139-W141 AromaticContact CD2-NE1 3.94Å; F139-W141 AromaticContact CE2-CD1 3.74Å; F139-W141 AromaticContact CE2-NE1 3.5Å
140	C	98.9	Very high	97.1	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	126.6	169.5	-168.8	0	0	0	0	109.7	D26 C27 S29 I34 W128 Q129	D26-C140 WeakPolarHBondContact CA-O 3.48Å; C27-C140 HydrophobicContact CB-CB 4.14Å; C27-C140 WeakPolarHBondContact CB-SG 3.35Å; C27-C140 PolarHBondContact N-O 2.82Å; C27-C140 WeakPolarHBondContact SG-CB 3.19Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 2.83Å; S29-C140 PolarHBondContact OG-N 3.5Å; I34-C140 WeakPolarHBondContact CD1-O 3.36Å; W128-C140 WeakPolarHBondContact O-CA 3.2Å; Q129-C140 HydrophobicContact CG-CB 4.32Å
141	W	98.8	Very high	95.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.4	171.3	56.3	-97.4	0	0	0	113.7	F24 K25 C27 I34 V37 V57 V59 V126 E127 W128 F139 I143	F24-W141 HydrophobicContact CB-CB 4.24Å; F24-W141 HydrophobicContact CD2-CB 3.8Å; F24-W141 HydrophobicContact CG-CB 4.31Å; K25-W141 CarbonylContact O-C 3.4Å; K25-W141 VanDerWaalsContact O-CA 3.26Å; K25-W141 WeakPolarHBondContact O-CA 3.35Å; C27-W141 VanDerWaalsContact SG-C 3.51Å; C27-W141 VanDerWaalsContact SG-CA 3.58Å; C27-W141 PolarHBondContact SG-N 2.77Å; I34-W141 HydrophobicContact CD1-CB 3.89Å; I34-W141 HydrophobicContact CD1-CG 4.41Å; V37-W141 HydrophobicContact CG1-CD2 4.03Å; V37-W141 HydrophobicContact CG1-CE3 4.4Å; V37-W141 HydrophobicContact CG1-CG 4.45Å; V37-W141 HydrophobicContact CG1-CZ2 4.18Å; V37-W141 HydrophobicContact CG2-CB 4.35Å; V37-W141 HydrophobicContact CG2-CD2 4.36Å; V37-W141 HydrophobicContact CG2-CG 3.93Å; V57-W141 HydrophobicContact CG1-CH2 4.29Å; V57-W141 HydrophobicContact CG1-CZ2 3.72Å; V59-W141 HydrophobicContact CG2-CZ2 4.2Å; V126-W141 HydrophobicContact CG1-CH2 4.26Å; V126-W141 HydrophobicContact CG1-CZ3 4.04Å; E127-W141 WeakPolarHBondContact CA-O 3.36Å; W128-W141 HydrophobicContact CB-CD2 3.88Å; W128-W141 VanDerWaalsContact CB-CE2 3.44Å; W128-W141 HydrophobicContact CB-CE3 4.14Å; W128-W141 HydrophobicContact CB-CH2 3.64Å; W128-W141 HydrophobicContact CB-CZ2 3.33Å; W128-W141 HydrophobicContact CB-CZ3 4.01Å; W128-W141 HydrophobicContact CD2-CH2 4.2Å; W128-W141 AromaticContact CD2-CZ2 3.82Å; W128-W141 HydrophobicContact CD2-CZ2 3.82Å; W128-W141 AromaticContact CE3-CH2 3.88Å; W128-W141 HydrophobicContact CE3-CH2 3.88Å; W128-W141 AromaticContact CE3-CZ2 3.94Å; W128-W141 HydrophobicContact CE3-CZ2 3.94Å; W128-W141 AromaticContact CG-CE2 3.95Å; W128-W141 HydrophobicContact CG-CH2 4.15Å; W128-W141 AromaticContact CG-CZ2 3.58Å; W128-W141 HydrophobicContact CG-CZ2 3.58Å; W128-W141 PolarHBondContact N-O 2.95Å; W128-W141 PolarHBondContact O-N 3.44Å; F139-W141 AromaticContact CD2-CD1 3.66Å; F139-W141 AromaticContact CD2-NE1 3.94Å; F139-W141 AromaticContact CE2-CD1 3.74Å; F139-W141 AromaticContact CE2-NE1 3.5Å; W141-I143 HydrophobicContact CE3-CG1 4.44Å; W141-I143 HydrophobicContact CE3-CG2 3.98Å; W141-I143 HydrophobicContact CZ3-CD1 3.97Å; W141-I143 HydrophobicContact CZ3-CG1 3.87Å; W141-I143 HydrophobicContact CZ3-CG2 4.19Å
142	E	98.8	Very high	95.1	Very high	32 Å²	32	51.8 Å²	51.8	15%	0.15	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.5	173.8	-75.5	172	-171.1	0	0	111.1	F24 K25 C27 V125 V126 E127	F24-E142 WeakPolarHBondContact CA-O 3.42Å; K25-E142 HydrophobicContact CB-CB 4.31Å; K25-E142 WeakPolarHBondContact CD-OE2 3.41Å; K25-E142 PolarHBondContact N-O 3.27Å; K25-E142 IonicContact NZ-OE1 2.75Å; K25-E142 IonicContact NZ-OE2 3.74Å; K25-E142 PolarHBondContact NZ-OE2 3.17Å; K25-E142 PolarHBondContact O-N 3.45Å; C27-E142 HydrophobicContact CB-CG 3.97Å; V125-E142 HydrophobicContact CG1-CB 3.73Å; V125-E142 HydrophobicContact CG1-CG 3.91Å; V126-E142 WeakPolarHBondContact O-CA 3.41Å; E127-E142 HydrophobicContact CB-CG 4.17Å; E127-E142 HydrophobicContact CG-CG 4.27Å
143	I	98.6	Very high	94.9	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.2	166.1	70.8	-178.6	0	0	0	111.5	V22 F24 V39 V125 V126 W141 V145	V22-I143 HydrophobicContact CG2-CG2 4.11Å; F24-I143 HydrophobicContact CB-CG2 3.79Å; V39-I143 HydrophobicContact CB-CD1 4.41Å; V39-I143 HydrophobicContact CG2-CD1 3.61Å; V125-I143 WeakPolarHBondContact CA-O 3.36Å; V126-I143 HydrophobicContact CB-CG1 4.48Å; V126-I143 PolarHBondContact N-O 2.78Å; V126-I143 PolarHBondContact O-N 2.93Å; W141-I143 HydrophobicContact CE3-CG1 4.44Å; W141-I143 HydrophobicContact CE3-CG2 3.98Å; W141-I143 HydrophobicContact CZ3-CD1 3.97Å; W141-I143 HydrophobicContact CZ3-CG1 3.87Å; W141-I143 HydrophobicContact CZ3-CG2 4.19Å; I143-V145 HydrophobicContact CD1-CG1 4.06Å; I143-V145 HydrophobicContact CG1-CG1 3.84Å
144	P	98.2	Very high	94.7	Very high	60 Å²	60	53.9 Å²	53.9	39%	0.39	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.3	171.1	33.3	-34.8	0	0	0	110.7	P46 C47	P46-P144 WeakPolarHBondContact CA-O 3.28Å; P46-P144 HydrophobicContact CB-CB 4.05Å; P46-P144 HydrophobicContact CB-CG 4.28Å; P46-P144 WeakPolarHBondContact CB-O 3.26Å; C47-P144 PolarHBondContact N-O 3.14Å
145	V	98.5	Very high	94.5	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	159	176	-51	0	0	0	0	111	C47 L49 K123 L124 V126 I143	C47-V145 HydrophobicContact CB-CG1 4.22Å; C47-V145 WeakPolarHBondContact O-CA 3.28Å; L49-V145 HydrophobicContact CD1-CB 3.98Å; L49-V145 HydrophobicContact CD1-CG1 4.17Å; L49-V145 HydrophobicContact CD1-CG2 4.19Å; L49-V145 HydrophobicContact CG-CB 4.27Å; K123-V145 WeakPolarHBondContact CA-O 3.25Å; L124-V145 HydrophobicContact CD1-CG2 4.45Å; L124-V145 HydrophobicContact CD2-CG2 3.58Å; L124-V145 HydrophobicContact CG-CG2 3.63Å; L124-V145 PolarHBondContact N-O 2.72Å; L124-V145 PolarHBondContact O-N 3.38Å; L124-V145 VanDerWaalsContact O-O 3.04Å; V126-V145 HydrophobicContact CB-CG1 4.47Å; V126-V145 HydrophobicContact CG2-CB 4.49Å; V126-V145 HydrophobicContact CG2-CG1 3.91Å; V126-V145 HydrophobicContact CG2-CG2 3.69Å; I143-V145 HydrophobicContact CD1-CG1 4.06Å; I143-V145 HydrophobicContact CG1-CG1 3.84Å
146	Q	98.2	Very high	94.3	Very high	54 Å²	54	44.3 Å²	44.3	25%	0.252	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	117.4	171.5	-175.5	173.1	-8.7	0	0	109.5	C47 Q48 L49 I122 K123 V148	C47-Q146 PolarHBondContact O-N 2.75Å; Q48-Q146 CarbonylContact C-O 3.56Å; Q48-Q146 WeakPolarHBondContact CA-O 3.47Å; L49-Q146 PolarHBondContact N-O 3Å; I122-Q146 CarbonylContact O-C 3.49Å; I122-Q146 WeakPolarHBondContact O-CA 3.22Å; K123-Q146 HydrophobicContact CG-CB 4.08Å; K123-Q146 HydrophobicContact CG-CG 3.75Å; Q146-V148 HydrophobicContact CG-CG1 3.85Å
147	I	98.2	Very high	94	Very high	22 Å²	22	41.2 Å²	41.2	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.1	170.3	-60.3	175.2	0	0	0	108.1	L49 K51 V115 Y119 P120 S121 I122 L124	L49-I147 HydrophobicContact CB-CG1 4.46Å; L49-I147 WeakPolarHBondContact O-CA 3.48Å; K51-I147 HydrophobicContact CG-CG2 3.91Å; V115-I147 HydrophobicContact CG1-CG2 3.89Å; Y119-I147 HydrophobicContact CD2-CD1 4.48Å; P120-I147 WeakPolarHBondContact O-CB 3.03Å; P120-I147 VanDerWaalsContact O-CG2 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.03Å; S121-I147 CarbonylContact C-O 3.47Å; S121-I147 WeakPolarHBondContact CA-O 3.41Å; I122-I147 PolarHBondContact N-O 3.2Å; I122-I147 VanDerWaalsContact N-O 3.16Å; I122-I147 PolarHBondContact O-N 2.93Å; L124-I147 HydrophobicContact CD2-CD1 4.18Å; L124-I147 HydrophobicContact CD2-CG1 4.21Å
148	V	97.7	Very high	93.7	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.6	-178.7	-60.9	0	0	0	0	110.7	Q48 L49 K51 Q146	Q48-V148 HydrophobicContact CB-CG2 4.43Å; L49-V148 PolarHBondContact O-N 2.89Å; K51-V148 WeakPolarHBondContact CG-O 3.33Å; K51-V148 PolarHBondContact N-O 2.84Å; Q146-V148 HydrophobicContact CG-CG1 3.85Å
149	S	93.7	Very high	93.3	Very high	62 Å²	62	47.2 Å²	47.2	43%	0.434	25%	0.254	S	S	.	.			trans	-62.4	149.3	169	47.7	0	0	0	0	109.8	L151	S149-L151 PolarHBondContact O-N 3.15Å
150	H	74.4	Confident	92.8	Very high	123 Å²	123	51.2 Å²	51.2	57%	0.569	28%	0.275	S	S	*	.			trans	-59.3	126.1	162.6	-158.5	-72.2	0	0	0	107.6
151	L	59.6	Low	92.2	Very high	218 Å²	218	55.3 Å²	55.3	100%	1.141	30%	0.297	S	S	*	.			trans	-82.7	0	166.2	-72.4	172.4	0	0	0	109.4	S149	S149-L151 PolarHBondContact O-N 3.15Å

Retrieved 151 of 151 residues in 326.5 ms (Link to these results)

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