A0A087YCN0_POEFO Loading...

NPC intracellular cholesterol transporter 2

AlphaFold DB (A0A3B3UPA3), UniProt , Accession A0A087YCN0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 149 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	52.7	Low	231 Å²	231	153.4 Å²	153.4	100%	1.138	83%	0.827	S	S	*	*				0	80.7	0	-74	160	67.6	0	0	105.9
2	D	41	Very low	52.4	Low	159 Å²	159	148 Å²	148	85%	0.85	81%	0.808	S	S	*	*			trans	-113.6	87.7	-179.2	-81.7	-78.6	0	0	0	108	R4	D2-R4 PolarHBondContact O-N 3.41Å
3	V	54.3	Low	52.6	Low	147 Å²	147	148.5 Å²	148.5	89%	0.891	81%	0.808	S	S	*	*			trans	-71.3	93.1	165.5	169.6	0	0	0	0	105.8	T5	V3-T5 PolarHBondContact O-N 2.86Å; V3-T5 VanDerWaalsContact O-N 3.15Å
4	R	52.1	Low	53.2	Low	231 Å²	231	147.9 Å²	147.9	87%	0.872	80%	0.801	S	S	*	*			trans	-42.9	118.1	170.6	-87.2	174.6	161	177.7	-5.8	110.2	D2 G6	D2-R4 PolarHBondContact O-N 3.41Å; R4-G6 PolarHBondContact O-N 3.24Å; R4-G6 VanDerWaalsContact O-N 3.13Å
5	T	52.1	Low	53.5	Low	137 Å²	137	142.1 Å²	142.1	84%	0.84	79%	0.791	S	S	*	*			trans	-25.4	105.1	156.9	-46.9	0	0	0	0	112.6	V3	V3-T5 PolarHBondContact O-N 2.86Å; V3-T5 VanDerWaalsContact O-N 3.15Å
6	G	50.2	Low	53.6	Low	65 Å²	65	142.5 Å²	142.5	67%	0.67	79%	0.79	S	S	*	*			trans	-133.3	69.1	173.2	0	0	0	0	0	109.6	R4 I8	R4-G6 PolarHBondContact O-N 3.24Å; R4-G6 VanDerWaalsContact O-N 3.13Å; G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.95Å
7	L	53.9	Low	53.9	Low	163 Å²	163	142 Å²	142	85%	0.853	79%	0.792	S	S	*	*			trans	-70.9	92	168.9	-117.5	122.2	0	0	0	107.5	A9	L7-A9 VanDerWaalsContact C-N 3.27Å; L7-A9 PolarHBondContact O-N 2.78Å
8	I	56.4	Low	54.1	Low	150 Å²	150	146.6 Å²	146.6	77%	0.769	80%	0.795	S	S	*	*			trans	-72.7	89.4	168.5	-59.1	175.6	0	0	0	106.5	G6 L10	G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.95Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 HydrophobicContact CG2-CD1 4.49Å; I8-L10 PolarHBondContact O-N 3.48Å
9	A	57.5	Low	54.6	Low	82 Å²	82	143.1 Å²	143.1	68%	0.678	79%	0.788	S	S	*	*			trans	-70.7	94	167.7	0	0	0	0	0	108	L7 F11	L7-A9 VanDerWaalsContact C-N 3.27Å; L7-A9 PolarHBondContact O-N 2.78Å; A9-F11 VanDerWaalsContact C-N 3.27Å; A9-F11 PolarHBondContact O-N 2.75Å
10	L	58.2	Low	55.7	Low	142 Å²	142	142.5 Å²	142.5	74%	0.743	78%	0.779	S	S	*	*			trans	-69.3	86.7	172.1	-151.2	91.2	0	0	0	108.1	I8 C12	I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 HydrophobicContact CG2-CD1 4.49Å; I8-L10 PolarHBondContact O-N 3.48Å; L10-C12 VanDerWaalsContact C-N 3.27Å; L10-C12 PolarHBondContact O-N 3.4Å
11	F	55.8	Low	57.3	Low	180 Å²	180	139.7 Å²	139.7	79%	0.789	77%	0.768	S	S	*	*			trans	-72.5	86.1	174.3	-144.4	-96.9	0	0	0	107.6	A9 L13	A9-F11 VanDerWaalsContact C-N 3.27Å; A9-F11 PolarHBondContact O-N 2.75Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 HydrophobicContact CD1-CG 4.34Å; F11-L13 PolarHBondContact O-N 2.78Å
12	C	49.1	Very low	59.5	Low	89 Å²	89	129 Å²	129	60%	0.601	72%	0.716	S	S	*	*			trans	-61.8	94.7	168.1	-81.6	0	0	0	0	107.9	L10 I14	L10-C12 VanDerWaalsContact C-N 3.27Å; L10-C12 PolarHBondContact O-N 3.4Å; C12-I14 HydrophobicContact CB-CG1 4.14Å; C12-I14 PolarHBondContact O-N 3.38Å
13	L	55.6	Low	62.2	Low	154 Å²	154	129.5 Å²	129.5	81%	0.806	71%	0.71	S	S	*	*			trans	-65.1	78.8	161.2	-79	156.3	0	0	0	107.1	F11 G15	F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 HydrophobicContact CD1-CG 4.34Å; F11-L13 PolarHBondContact O-N 2.78Å; L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 2.99Å
14	I	61.5	Low	64.2	Low	140 Å²	140	126 Å²	126	72%	0.718	68%	0.681	S	S	*	*			trans	-67.4	97.9	166.6	-52.5	167.1	0	0	0	104.2	C12 L16	C12-I14 HydrophobicContact CB-CG1 4.14Å; C12-I14 PolarHBondContact O-N 3.38Å; I14-L16 PolarHBondContact O-N 3.15Å
15	G	57.3	Low	66.4	Low	62 Å²	62	120.7 Å²	120.7	64%	0.639	67%	0.669	S	S	*	*			trans	-57.8	108.2	173.3	0	0	0	0	0	108	L13 T17	L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 2.99Å; G15-T17 VanDerWaalsContact C-N 3.26Å; G15-T17 PolarHBondContact O-N 2.76Å
16	L	54.7	Low	68.6	Low	148 Å²	148	118 Å²	118	78%	0.775	65%	0.65	S	S	*	*			trans	-68.1	91.3	169.1	-68.8	164.7	0	0	0	106.2	I14 W18	I14-L16 PolarHBondContact O-N 3.15Å; L16-W18 PolarHBondContact O-N 2.91Å
17	T	58.8	Low	70.9	Confident	134 Å²	134	117 Å²	117	82%	0.822	63%	0.632	S	S	*	*			trans	-73.6	108.3	167.7	51.7	0	0	0	0	106.9	G15 A19	G15-T17 VanDerWaalsContact C-N 3.26Å; G15-T17 PolarHBondContact O-N 2.76Å; T17-A19 PolarHBondContact O-N 2.96Å
18	W	57.8	Low	73	Confident	224 Å²	224	110.6 Å²	110.6	85%	0.848	61%	0.605	S	S	*	*			trans	-68.2	103.7	174.1	-71.6	52.2	0	0	0	107.2	L16 Q20	L16-W18 PolarHBondContact O-N 2.91Å; W18-Q20 PolarHBondContact O-N 2.78Å; W18-Q20 VanDerWaalsContact O-N 3.17Å
19	A	63.9	Low	74.9	Confident	81 Å²	81	104.2 Å²	104.2	67%	0.669	57%	0.574	S	S	*	*			trans	-63.6	114.9	167.5	0	0	0	0	0	107.2	T17	T17-A19 PolarHBondContact O-N 2.96Å
20	Q	77.1	Confident	76.9	Confident	130 Å²	130	105.2 Å²	105.2	61%	0.607	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-89.3	128.6	176.2	-64.7	-170	-72.3	0	0	108.8	W18 V22	W18-Q20 PolarHBondContact O-N 2.78Å; W18-Q20 VanDerWaalsContact O-N 3.17Å; Q20-V22 PolarHBondContact O-N 2.8Å
21	P	88.6	Confident	78.8	Confident	84 Å²	84	98.7 Å²	98.7	55%	0.545	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-53.5	138	174.4	-26.4	34.1	0	0	0	111.4	V37 D38 Q45	P21-V37 CarbonylContact C-O 3.54Å; P21-D38 WeakPolarHBondContact CA-OD1 3.22Å; P21-Q45 PolarHBondContact O-NE2 3.3Å
22	V	94.7	Very high	80.8	Confident	6 Å²	6	90.4 Å²	90.4	4%	0.036	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-72.6	135.2	178.4	173.4	0	0	0	0	109.5	Q20 Y24 V37 I39 F143	Q20-V22 PolarHBondContact O-N 2.8Å; V22-Y24 WeakPolarHBondContact O-CD1 3.43Å; V22-Y24 PolarHBondContact O-N 3.07Å; V22-V37 HydrophobicContact CB-CG1 4.3Å; V22-V37 PolarHBondContact N-O 2.67Å; V22-I39 HydrophobicContact CB-CD1 4.47Å; V22-I39 HydrophobicContact CG1-CD1 4.16Å; V22-I39 HydrophobicContact CG2-CB 3.87Å; V22-I39 HydrophobicContact CG2-CD1 3.9Å; V22-I39 HydrophobicContact CG2-CG1 3.75Å; V22-F143 HydrophobicContact CG1-CB 4.01Å; V22-F143 HydrophobicContact CG1-CG 4.36Å
23	K	95.8	Very high	83.2	Confident	170 Å²	170	92.8 Å²	92.8	74%	0.739	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-70.2	125.2	170.8	-66.5	-179.4	-178.2	179.5	0	109.3
24	Y	97.8	Very high	85.2	Confident	73 Å²	73	85.9 Å²	85.9	29%	0.286	47%	0.468	S	S	.	.			trans	-132.4	164.8	179.4	67.4	-87.1	0	0	0	111.3	V22 V34 V37 I141 K142	V22-Y24 WeakPolarHBondContact O-CD1 3.43Å; V22-Y24 PolarHBondContact O-N 3.07Å; Y24-V34 HydrophobicContact CD2-CG1 4.48Å; Y24-V34 HydrophobicContact CE1-CG1 4.29Å; Y24-V34 HydrophobicContact CE2-CB 3.87Å; Y24-V34 HydrophobicContact CE2-CG1 3.63Å; Y24-V34 WeakPolarHBondContact OH-CG1 3.38Å; Y24-V37 HydrophobicContact CD1-CB 3.78Å; Y24-V37 HydrophobicContact CD1-CG2 3.39Å; Y24-V37 HydrophobicContact CD2-CG2 4.22Å; Y24-V37 HydrophobicContact CE1-CB 4.29Å; Y24-V37 HydrophobicContact CE1-CG2 3.74Å; Y24-V37 HydrophobicContact CG-CB 4.35Å; Y24-V37 HydrophobicContact CG-CG2 3.66Å; Y24-I141 HydrophobicContact CD2-CB 4.22Å; Y24-I141 HydrophobicContact CD2-CG2 3.65Å; Y24-I141 HydrophobicContact CE2-CG2 4.07Å; Y24-I141 HydrophobicContact CG-CG2 4.32Å; Y24-K142 CarbonylContact C-O 3.45Å; Y24-K142 VanDerWaalsContact CA-O 3.27Å; Y24-K142 WeakPolarHBondContact CA-O 3.34Å
25	I	98.2	Very high	87	Confident	121 Å²	121	83.7 Å²	83.7	62%	0.621	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	130	169.4	-64.6	171.4	0	0	0	107.2	I141 K142	I25-I141 CarbonylContact O-C 3.6Å; I25-I141 WeakPolarHBondContact O-CA 3.44Å; I25-K142 HydrophobicContact CB-CB 4.35Å; I25-K142 PolarHBondContact N-O 3.03Å; I25-K142 PolarHBondContact O-N 2.93Å
26	D	98.3	Very high	88.9	Confident	81 Å²	81	81.4 Å²	81.4	43%	0.433	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.6	168.2	-171.3	-19.3	0	0	0	109	G28 S29 C140	D26-G28 PolarHBondContact OD1-N 2.68Å; D26-S29 WeakPolarHBondContact OD1-CB 3.47Å; D26-S29 PolarHBondContact OD1-N 2.83Å; D26-S29 PolarHBondContact OD1-OG 3.09Å; D26-S29 WeakPolarHBondContact OD2-CB 3.28Å; D26-S29 PolarHBondContact OD2-OG 3.21Å; D26-C140 WeakPolarHBondContact CA-O 3.5Å; D26-C140 VanDerWaalsContact OD1-O 3.13Å
27	C	97.9	Very high	90.9	Very high	44 Å²	44	74.4 Å²	74.4	30%	0.297	40%	0.396	S	S	.	.	S	Bend	trans	-103.2	-0.6	-177.4	44.8	0	0	0	0	114.7	C140 I141 K142	C27-C140 HydrophobicContact CB-CB 4.18Å; C27-C140 WeakPolarHBondContact CB-SG 3.47Å; C27-C140 PolarHBondContact N-O 2.81Å; C27-C140 WeakPolarHBondContact SG-CB 3.44Å; C27-C140 PolarHBondContact SG-O 3.15Å; C27-C140 VanDerWaalsContact SG-O 3.38Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 2.85Å; C27-I141 PolarHBondContact SG-N 2.99Å; C27-K142 HydrophobicContact CB-CD 3.93Å; C27-K142 HydrophobicContact CB-CG 4.12Å
28	G	97.4	Very high	92.8	Very high	28 Å²	28	70.1 Å²	70.1	29%	0.289	37%	0.368	S	S	.	.			trans	150.4	36.6	-177.4	0	0	0	0	0	116.3	D26 T30 D137	D26-G28 PolarHBondContact OD1-N 2.68Å; G28-T30 VanDerWaalsContact C-N 3.29Å; G28-T30 PolarHBondContact O-N 2.84Å; G28-D137 WeakPolarHBondContact O-CB 3.45Å
29	S	97.8	Very high	94.6	Very high	16 Å²	16	60.1 Å²	60.1	11%	0.112	33%	0.331	C	S	.	.			trans	-67.9	78.5	179	-50.4	0	0	0	0	112.4	D26 D137 F139 C140	D26-S29 WeakPolarHBondContact OD1-CB 3.47Å; D26-S29 PolarHBondContact OD1-N 2.83Å; D26-S29 PolarHBondContact OD1-OG 3.09Å; D26-S29 WeakPolarHBondContact OD2-CB 3.28Å; D26-S29 PolarHBondContact OD2-OG 3.21Å; S29-D137 CarbonylContact C-O 3.59Å; S29-F139 WeakPolarHBondContact OG-CA 3.41Å; S29-C140 PolarHBondContact OG-N 3.13Å
30	T	98.1	Very high	96.1	Very high	102 Å²	102	61 Å²	61	63%	0.626	33%	0.325	S	S	*	.	S	Bend	trans	-82.7	-26.9	-171.7	53.4	0	0	0	0	114.5	G28 D137	G28-T30 VanDerWaalsContact C-N 3.29Å; G28-T30 PolarHBondContact O-N 2.84Å; T30-D137 PolarHBondContact N-O 3.48Å; T30-D137 VanDerWaalsContact N-O 3.07Å
31	S	98.2	Very high	96.9	Very high	6 Å²	6	58 Å²	58	4%	0.042	32%	0.316	C	S	.	.	S	Bend	trans	-105.8	6.1	-179.5	-75.7	0	0	0	0	113.2	N64 D132 K136 D137	S31-N64 WeakPolarHBondContact O-CA 3.37Å; S31-N64 WeakPolarHBondContact O-CB 3.17Å; S31-N64 PolarHBondContact O-N 2.88Å; S31-D132 VanDerWaalsContact CB-OD2 3.24Å; S31-D132 WeakPolarHBondContact CB-OD2 3.27Å; S31-D132 PolarHBondContact OG-OD2 2.97Å; S31-K136 WeakPolarHBondContact OG-CB 3.49Å; S31-D137 WeakPolarHBondContact CA-O 3.42Å; S31-D137 PolarHBondContact N-O 2.89Å
32	G	98.3	Very high	97.2	Very high	5 Å²	5	55 Å²	55	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	-168	179.5	0	0	0	0	0	112.5	T62 N64 L138	G32-T62 CarbonylContact C-O 3.55Å; G32-T62 WeakPolarHBondContact CA-O 3.43Å; G32-N64 WeakPolarHBondContact CA-ND2 3.41Å; G32-N64 PolarHBondContact O-ND2 3.05Å; G32-L138 CarbonylContact C-O 3.51Å; G32-L138 WeakPolarHBondContact CA-O 3.49Å
33	K	98.6	Very high	97.1	Very high	139 Å²	139	59.7 Å²	59.7	60%	0.604	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	125.8	178.8	-177.1	-179.2	178	-175.6	0	110.4	F61 T62	K33-F61 CarbonylContact O-C 3.53Å; K33-F61 VanDerWaalsContact O-CA 3.24Å; K33-F61 WeakPolarHBondContact O-CA 3.28Å; K33-F61 WeakPolarHBondContact O-CB 3.46Å; K33-T62 PolarHBondContact N-O 2.93Å; K33-T62 PolarHBondContact O-N 3.1Å
34	V	98.6	Very high	96.9	Very high	10 Å²	10	57.1 Å²	57.1	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.6	175	-166.4	0	0	0	0	110.2	Y24 V37 V59 F139 I141	Y24-V34 HydrophobicContact CD2-CG1 4.48Å; Y24-V34 HydrophobicContact CE1-CG1 4.29Å; Y24-V34 HydrophobicContact CE2-CB 3.87Å; Y24-V34 HydrophobicContact CE2-CG1 3.63Å; Y24-V34 WeakPolarHBondContact OH-CG1 3.38Å; V34-V37 HydrophobicContact CG1-CG2 4.11Å; V34-V59 HydrophobicContact CG1-CG1 4.06Å; V34-F139 HydrophobicContact CG2-CB 3.58Å; V34-I141 HydrophobicContact CB-CG2 4.4Å; V34-I141 HydrophobicContact CG1-CG2 3.97Å; V34-I141 HydrophobicContact CG2-CG2 3.75Å
35	I	98.2	Very high	96.7	Very high	94 Å²	94	57.1 Å²	57.1	48%	0.482	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-46.1	174.5	-64	163.3	0	0	0	109.6	T60 T62 T106	I35-T60 HydrophobicContact CB-CG2 4.09Å; I35-T60 WeakPolarHBondContact CB-O 3.46Å; I35-T60 HydrophobicContact CD1-CG2 3.98Å; I35-T60 HydrophobicContact CG2-CG2 4.4Å; I35-T60 PolarHBondContact N-O 3.26Å; I35-T62 VanDerWaalsContact CD1-OG1 3.28Å; I35-T62 WeakPolarHBondContact CD1-OG1 3.41Å; I35-T106 HydrophobicContact CD1-CG2 3.57Å
36	G	97.5	Very high	96.6	Very high	13 Å²	13	54 Å²	54	13%	0.134	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	155.9	-174.6	0	0	0	0	0	112.7	V59 T60	G36-V59 WeakPolarHBondContact O-CA 3.12Å; G36-T60 PolarHBondContact N-O 2.83Å; G36-T60 PolarHBondContact O-N 2.76Å
37	V	98.1	Very high	96.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.7	175.5	-179.2	0	0	0	0	107.4	P21 V22 Y24 V34 N58 V59 I141 F143	P21-V37 CarbonylContact C-O 3.54Å; V22-V37 HydrophobicContact CB-CG1 4.3Å; V22-V37 PolarHBondContact N-O 2.67Å; Y24-V37 HydrophobicContact CD1-CB 3.78Å; Y24-V37 HydrophobicContact CD1-CG2 3.39Å; Y24-V37 HydrophobicContact CD2-CG2 4.22Å; Y24-V37 HydrophobicContact CE1-CB 4.29Å; Y24-V37 HydrophobicContact CE1-CG2 3.74Å; Y24-V37 HydrophobicContact CG-CB 4.35Å; Y24-V37 HydrophobicContact CG-CG2 3.66Å; V34-V37 HydrophobicContact CG1-CG2 4.11Å; V37-N58 WeakPolarHBondContact CA-O 3.49Å; V37-V59 HydrophobicContact CG2-CG1 4.38Å; V37-I141 HydrophobicContact CB-CD1 4.33Å; V37-I141 HydrophobicContact CG1-CD1 3.82Å; V37-I141 HydrophobicContact CG2-CD1 3.47Å; V37-I141 VanDerWaalsContact CG2-CD1 3.47Å; V37-I141 HydrophobicContact CG2-CG2 4.11Å; V37-F143 HydrophobicContact CG1-CD1 4.48Å
38	D	97	Very high	96.5	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.241	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.2	179.1	-71	-75.1	0	0	0	110.1	P21 V57 N58	P21-D38 WeakPolarHBondContact CA-OD1 3.22Å; D38-V57 CarbonylContact O-C 3.55Å; D38-V57 WeakPolarHBondContact O-CA 3.03Å; D38-N58 HydrophobicContact CB-CB 4.32Å; D38-N58 PolarHBondContact N-O 2.99Å; D38-N58 PolarHBondContact O-N 2.61Å
39	I	96.6	Very high	96.5	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.9	176	-60.5	174	0	0	0	107.5	V22 P41 C42 Y55 T56 V57 F143	V22-I39 HydrophobicContact CB-CD1 4.47Å; V22-I39 HydrophobicContact CG1-CD1 4.16Å; V22-I39 HydrophobicContact CG2-CB 3.87Å; V22-I39 HydrophobicContact CG2-CD1 3.9Å; V22-I39 HydrophobicContact CG2-CG1 3.75Å; I39-P41 CarbonylContact O-C 3.51Å; I39-C42 HydrophobicContact CB-CB 4.08Å; I39-C42 HydrophobicContact CG2-CB 4.18Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 2.89Å; I39-Y55 HydrophobicContact CG2-CD1 4.43Å; I39-T56 CarbonylContact C-O 3.6Å; I39-T56 WeakPolarHBondContact CA-O 3.24Å; I39-V57 HydrophobicContact CG1-CG2 4.26Å; I39-F143 HydrophobicContact CD1-CD2 3.62Å; I39-F143 HydrophobicContact CD1-CE2 3.32Å; I39-F143 HydrophobicContact CD1-CG 4.46Å; I39-F143 HydrophobicContact CD1-CZ 3.96Å
40	N	95.3	Very high	96.5	Very high	100 Å²	100	55.3 Å²	55.3	54%	0.535	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.5	-179.5	-177.8	57	0	0	0	111.3	Y55 T56	N40-Y55 WeakPolarHBondContact O-CA 3.38Å; N40-T56 PolarHBondContact N-O 2.85Å; N40-T56 PolarHBondContact O-N 3.37Å
41	P	94.8	Very high	96.5	Very high	66 Å²	66	51.9 Å²	51.9	43%	0.429	28%	0.279	S	S	.	.	S	Bend	cis	-75.8	142.1	-9.8	29.4	-33.2	0	0	0	112.9	I39 Y55	I39-P41 CarbonylContact O-C 3.51Å; P41-Y55 HydrophobicContact CG-CD1 4.06Å; P41-Y55 HydrophobicContact CG-CE1 3.76Å; P41-Y55 WeakPolarHBondContact O-CD1 3.41Å; P41-Y55 WeakPolarHBondContact O-CE1 3.34Å
42	C	94.9	Very high	96.5	Very high	21 Å²	21	54.1 Å²	54.1	14%	0.142	30%	0.303	C	S	.	.			trans	-150.4	82.4	169.4	-178	0	0	0	0	111.1	I39 N44 C47	I39-C42 HydrophobicContact CB-CB 4.08Å; I39-C42 HydrophobicContact CG2-CB 4.18Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 2.89Å; C42-N44 VanDerWaalsContact C-N 3.31Å; C42-N44 PolarHBondContact O-N 2.83Å; C42-N44 PolarHBondContact SG-O 2.78Å; C42-C47 HydrophobicContact CB-CB 3.92Å; C42-C47 WeakPolarHBondContact CB-SG 3.37Å; C42-C47 WeakPolarHBondContact SG-CA 3.21Å; C42-C47 WeakPolarHBondContact SG-CB 3.19Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.04Å
43	P	91.8	Very high	96.4	Very high	105 Å²	105	57.9 Å²	57.9	68%	0.682	32%	0.322	S	S	*	.	S	Bend	trans	-73.7	-22.3	-176.5	29.1	-35.2	0	0	0	113.5
44	N	91.5	Very high	96.3	Very high	117 Å²	117	54.9 Å²	54.9	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-139	148.1	179.6	-62.8	-73.9	0	0	0	109.7	C42 P46 C47	C42-N44 VanDerWaalsContact C-N 3.31Å; C42-N44 PolarHBondContact O-N 2.83Å; C42-N44 PolarHBondContact SG-O 2.78Å; N44-P46 CarbonylContact O-C 3.3Å; N44-C47 WeakPolarHBondContact O-CA 3.29Å
45	Q	94.1	Very high	96.2	Very high	72 Å²	72	55 Å²	55	34%	0.336	32%	0.318	S	S	.	.	S	Bend	trans	-110.5	139.4	178.3	-64.5	-179.8	39.3	0	0	111.1	P21	P21-Q45 PolarHBondContact O-NE2 3.3Å
46	P	95.8	Very high	96.1	Very high	57 Å²	57	51.9 Å²	51.9	37%	0.37	30%	0.304	S	S	.	.	S	Bend	cis	-64.8	146.2	-2.1	29.1	-35.7	0	0	0	112	N44 Q48 P144	N44-P46 CarbonylContact O-C 3.3Å; P46-Q48 PolarHBondContact O-N 2.89Å; P46-P144 HydrophobicContact CB-CB 4.12Å; P46-P144 HydrophobicContact CB-CG 4.15Å; P46-P144 WeakPolarHBondContact CB-O 3.48Å
47	C	96.8	Very high	96.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	126.6	-175.1	-58.8	0	0	0	0	110.5	C42 N44 L49 V145 Q146	C42-C47 HydrophobicContact CB-CB 3.92Å; C42-C47 WeakPolarHBondContact CB-SG 3.37Å; C42-C47 WeakPolarHBondContact SG-CA 3.21Å; C42-C47 WeakPolarHBondContact SG-CB 3.19Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.04Å; N44-C47 WeakPolarHBondContact O-CA 3.29Å; C47-L49 HydrophobicContact CB-CD2 4.03Å; C47-L49 PolarHBondContact O-N 3.38Å; C47-V145 HydrophobicContact CB-CG1 4.47Å; C47-Q146 PolarHBondContact O-N 3.29Å
48	Q	97.4	Very high	96.1	Very high	99 Å²	99	53.4 Å²	53.4	46%	0.463	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	109.3	172.7	-69.8	-173.6	-20.9	0	0	109.2	P46 Y55 Q146 V148	P46-Q48 PolarHBondContact O-N 2.89Å; Q48-Y55 PolarHBondContact O-OH 3.2Å; Q48-Q146 CarbonylContact C-O 3.48Å; Q48-Q146 WeakPolarHBondContact CA-O 3.43Å; Q48-V148 HydrophobicContact CB-CG2 4.15Å; Q48-V148 HydrophobicContact CG-CG1 4.49Å
49	L	97.4	Very high	96.2	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.12	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	102.8	-177.8	-56.7	-169.5	0	0	0	109	C47 Y55 V115 V145 Q146 I147 V148	C47-L49 HydrophobicContact CB-CD2 4.03Å; C47-L49 PolarHBondContact O-N 3.38Å; L49-Y55 WeakPolarHBondContact CA-OH 3.46Å; L49-Y55 HydrophobicContact CB-CD2 4.47Å; L49-Y55 HydrophobicContact CB-CE2 4.12Å; L49-Y55 HydrophobicContact CD2-CD1 3.5Å; L49-Y55 HydrophobicContact CD2-CD2 3.91Å; L49-Y55 HydrophobicContact CD2-CE1 3.61Å; L49-Y55 HydrophobicContact CD2-CE2 4.03Å; L49-Y55 HydrophobicContact CD2-CG 3.66Å; L49-V115 HydrophobicContact CB-CG2 3.91Å; L49-V115 HydrophobicContact CD1-CG2 4.41Å; L49-V145 HydrophobicContact CD1-CB 3.88Å; L49-V145 HydrophobicContact CD1-CG1 4.07Å; L49-V145 HydrophobicContact CD1-CG2 3.97Å; L49-V145 HydrophobicContact CG-CB 4.17Å; L49-Q146 PolarHBondContact N-O 2.75Å; L49-I147 WeakPolarHBondContact O-CA 3.48Å; L49-V148 PolarHBondContact O-N 2.84Å
50	H	97.9	Very high	96.3	Very high	72 Å²	72	52.1 Å²	52.1	33%	0.333	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.1	179.4	-70.5	-90.9	0	0	0	110.8	N53 Y55 V115 V148 N149	H50-N53 HydrophobicContact CB-CB 4.46Å; H50-N53 WeakPolarHBondContact O-CB 3.34Å; H50-N53 PolarHBondContact O-N 2.92Å; H50-Y55 PolarHBondContact CD2-OH 3.24Å; H50-Y55 PolarHBondContact N-OH 3.13Å; H50-V115 WeakPolarHBondContact O-CB 3.45Å; H50-V148 HydrophobicContact CB-CG2 4.38Å; H50-V148 WeakPolarHBondContact ND1-CG2 3.12Å; H50-N149 PolarHBondContact ND1-O 3.4Å
51	K	98.1	Very high	96.4	Very high	31 Å²	31	47.4 Å²	47.4	14%	0.135	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	145.7	174.7	-73	171.6	-155	-175.6	0	111.3	N53 V115 T117 Y119 S121 I147 V148 N149	K51-N53 PolarHBondContact O-N 2.83Å; K51-V115 CarbonylContact C-O 3.59Å; K51-V115 HydrophobicContact CG-CG1 4.33Å; K51-T117 HydrophobicContact CB-CG2 4.23Å; K51-Y119 WeakPolarHBondContact CE-O 3.43Å; K51-Y119 PolarHBondContact NZ-O 2.92Å; K51-S121 WeakPolarHBondContact CE-OG 3.28Å; K51-S121 PolarHBondContact NZ-OG 2.84Å; K51-I147 HydrophobicContact CG-CG2 4.1Å; K51-V148 WeakPolarHBondContact CG-O 3.26Å; K51-V148 PolarHBondContact N-O 3.1Å; K51-N149 WeakPolarHBondContact CE-OD1 3.24Å; K51-N149 PolarHBondContact NZ-OD1 2.97Å
52	G	97.1	Very high	96.6	Very high	53 Å²	53	45.6 Å²	45.6	55%	0.546	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-11.4	-175.3	0	0	0	0	0	114.4	V115	G52-V115 PolarHBondContact N-O 3.18Å
53	N	97.3	Very high	96.8	Very high	83 Å²	83	44.6 Å²	44.6	44%	0.444	26%	0.259	S	S	.	.			trans	-94.9	163	178.5	-68.1	-9.4	0	0	0	112.1	H50 K51 Y55 V115	H50-N53 HydrophobicContact CB-CB 4.46Å; H50-N53 WeakPolarHBondContact O-CB 3.34Å; H50-N53 PolarHBondContact O-N 2.92Å; K51-N53 PolarHBondContact O-N 2.83Å; N53-Y55 HydrophobicContact CB-CE2 3.83Å; N53-V115 PolarHBondContact O-N 3.04Å
54	S	96.3	Very high	97.1	Very high	76 Å²	76	43.9 Å²	43.9	53%	0.531	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.9	173.7	-66.1	0	0	0	0	110.8	L113	S54-L113 WeakPolarHBondContact CA-O 3.41Å
55	Y	96.8	Very high	97.5	Very high	13 Å²	13	40.2 Å²	40.2	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.4	178.8	-67.2	-98.8	0	0	0	109.6	I39 N40 P41 Q48 L49 H50 N53 S112 L113 V115	I39-Y55 HydrophobicContact CG2-CD1 4.43Å; N40-Y55 WeakPolarHBondContact O-CA 3.38Å; P41-Y55 HydrophobicContact CG-CD1 4.06Å; P41-Y55 HydrophobicContact CG-CE1 3.76Å; P41-Y55 WeakPolarHBondContact O-CD1 3.41Å; P41-Y55 WeakPolarHBondContact O-CE1 3.34Å; Q48-Y55 PolarHBondContact O-OH 3.2Å; L49-Y55 WeakPolarHBondContact CA-OH 3.46Å; L49-Y55 HydrophobicContact CB-CD2 4.47Å; L49-Y55 HydrophobicContact CB-CE2 4.12Å; L49-Y55 HydrophobicContact CD2-CD1 3.5Å; L49-Y55 HydrophobicContact CD2-CD2 3.91Å; L49-Y55 HydrophobicContact CD2-CE1 3.61Å; L49-Y55 HydrophobicContact CD2-CE2 4.03Å; L49-Y55 HydrophobicContact CD2-CG 3.66Å; H50-Y55 PolarHBondContact CD2-OH 3.24Å; H50-Y55 PolarHBondContact N-OH 3.13Å; N53-Y55 HydrophobicContact CB-CE2 3.83Å; Y55-S112 WeakPolarHBondContact O-CA 3.34Å; Y55-L113 PolarHBondContact N-O 3.01Å; Y55-L113 PolarHBondContact O-N 2.81Å; Y55-V115 HydrophobicContact CD2-CG2 3.63Å; Y55-V115 HydrophobicContact CE2-CG2 3.88Å
56	T	96.6	Very high	97.7	Very high	29 Å²	29	41.5 Å²	41.5	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122	177.6	-53.7	0	0	0	0	109.5	I39 N40 Q110 A111 S112	I39-T56 CarbonylContact C-O 3.6Å; I39-T56 WeakPolarHBondContact CA-O 3.24Å; N40-T56 PolarHBondContact N-O 2.85Å; N40-T56 PolarHBondContact O-N 3.37Å; T56-Q110 HydrophobicContact CG2-CG 3.52Å; T56-A111 CarbonylContact C-O 3.51Å; T56-A111 WeakPolarHBondContact CA-O 3.34Å; T56-S112 WeakPolarHBondContact CG2-OG 3.38Å; T56-S112 PolarHBondContact OG1-OG 2.78Å
57	V	97.4	Very high	97.8	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.9	169.4	-175.4	0	0	0	0	108.2	D38 I39 V59 Q110 A111 W128	D38-V57 CarbonylContact O-C 3.55Å; D38-V57 WeakPolarHBondContact O-CA 3.03Å; I39-V57 HydrophobicContact CG1-CG2 4.26Å; V57-V59 HydrophobicContact CG1-CG2 4.21Å; V57-Q110 WeakPolarHBondContact O-CA 2.98Å; V57-A111 PolarHBondContact N-O 2.93Å; V57-A111 PolarHBondContact O-N 3.18Å; V57-W128 HydrophobicContact CB-CH2 4.23Å; V57-W128 HydrophobicContact CB-CZ3 4.08Å; V57-W128 HydrophobicContact CG1-CE3 4.39Å; V57-W128 HydrophobicContact CG1-CZ3 4.34Å; V57-W128 HydrophobicContact CG2-CE3 4.4Å; V57-W128 HydrophobicContact CG2-CH2 4.18Å; V57-W128 HydrophobicContact CG2-CZ3 3.71Å
58	N	97.8	Very high	97.9	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.5	170.2	-61.5	-89.5	0	0	0	109.2	V37 D38 Y109 Q110	V37-N58 WeakPolarHBondContact CA-O 3.49Å; D38-N58 HydrophobicContact CB-CB 4.32Å; D38-N58 PolarHBondContact N-O 2.99Å; D38-N58 PolarHBondContact O-N 2.61Å; N58-Y109 CarbonylContact C-O 3.56Å; N58-Y109 WeakPolarHBondContact CA-O 3.27Å; N58-Q110 WeakPolarHBondContact OD1-CB 3.22Å; N58-Q110 VanDerWaalsContact OD1-CG 3.26Å; N58-Q110 WeakPolarHBondContact OD1-CG 3.16Å; N58-Q110 PolarHBondContact OD1-NE2 3.42Å
59	V	98.5	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.6	174.9	-174	0	0	0	0	108.2	V34 G36 V37 V57 Y109 F139 I141	V34-V59 HydrophobicContact CG1-CG1 4.06Å; G36-V59 WeakPolarHBondContact O-CA 3.12Å; V37-V59 HydrophobicContact CG2-CG1 4.38Å; V57-V59 HydrophobicContact CG1-CG2 4.21Å; V59-Y109 HydrophobicContact CB-CD1 4.48Å; V59-Y109 HydrophobicContact CG2-CD1 4.32Å; V59-Y109 PolarHBondContact N-O 2.92Å; V59-Y109 PolarHBondContact O-N 3.41Å; V59-F139 HydrophobicContact CB-CE1 4.03Å; V59-F139 HydrophobicContact CB-CE2 4.34Å; V59-F139 HydrophobicContact CB-CZ 3.93Å; V59-F139 HydrophobicContact CG1-CD1 3.94Å; V59-F139 HydrophobicContact CG1-CD2 4.11Å; V59-F139 HydrophobicContact CG1-CE1 3.94Å; V59-F139 HydrophobicContact CG1-CE2 4.14Å; V59-F139 HydrophobicContact CG1-CG 4.03Å; V59-F139 HydrophobicContact CG1-CZ 4.05Å; V59-F139 HydrophobicContact CG2-CE2 4.11Å; V59-F139 HydrophobicContact CG2-CZ 3.99Å; V59-I141 HydrophobicContact CG1-CD1 4.34Å; V59-I141 HydrophobicContact CG2-CD1 3.56Å
60	T	98.6	Very high	97.9	Very high	31 Å²	31	43.3 Å²	43.3	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.8	171.8	-51.2	0	0	0	0	108.3	I35 G36 T106 Y107 N108	I35-T60 HydrophobicContact CB-CG2 4.09Å; I35-T60 WeakPolarHBondContact CB-O 3.46Å; I35-T60 HydrophobicContact CD1-CG2 3.98Å; I35-T60 HydrophobicContact CG2-CG2 4.4Å; I35-T60 PolarHBondContact N-O 3.26Å; G36-T60 PolarHBondContact N-O 2.83Å; G36-T60 PolarHBondContact O-N 2.76Å; T60-T106 HydrophobicContact CG2-CG2 3.71Å; T60-Y107 WeakPolarHBondContact CA-O 3.45Å; T60-N108 WeakPolarHBondContact CB-OD1 3.39Å; T60-N108 WeakPolarHBondContact CG2-OD1 3.46Å; T60-N108 PolarHBondContact OG1-OD1 2.93Å
61	F	98.8	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153	-179.3	73.8	-80.5	0	0	0	111.3	K33 I97 T106 Y107 L130 L138 F139	K33-F61 CarbonylContact O-C 3.53Å; K33-F61 VanDerWaalsContact O-CA 3.24Å; K33-F61 WeakPolarHBondContact O-CA 3.28Å; K33-F61 WeakPolarHBondContact O-CB 3.46Å; F61-I97 HydrophobicContact CE1-CD1 3.88Å; F61-I97 HydrophobicContact CE1-CG1 4.45Å; F61-I97 HydrophobicContact CZ-CD1 3.93Å; F61-T106 CarbonylContact O-C 3.48Å; F61-T106 WeakPolarHBondContact O-CA 3.29Å; F61-Y107 HydrophobicContact CE2-CD2 4.28Å; F61-Y107 HydrophobicContact CZ-CD2 4.22Å; F61-Y107 HydrophobicContact CZ-CG 4.32Å; F61-Y107 PolarHBondContact N-O 2.63Å; F61-Y107 PolarHBondContact O-N 3.34Å; F61-L130 HydrophobicContact CE1-CD2 3.93Å; F61-L130 HydrophobicContact CZ-CD2 3.75Å; F61-L138 HydrophobicContact CD2-CB 4.23Å; F61-L138 HydrophobicContact CE2-CB 3.81Å; F61-L138 HydrophobicContact CE2-CD1 4.32Å; F61-L138 HydrophobicContact CE2-CG 4.45Å; F61-L138 HydrophobicContact CZ-CB 4.48Å; F61-L138 HydrophobicContact CZ-CD1 4.49Å; F61-F139 HydrophobicContact CB-CD1 4.24Å; F61-F139 AromaticContact CD1-CD1 3.63Å; F61-F139 HydrophobicContact CD1-CD1 3.63Å; F61-F139 AromaticContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD2-CD1 4.38Å; F61-F139 HydrophobicContact CE1-CD1 4.04Å; F61-F139 HydrophobicContact CE1-CE1 4.03Å; F61-F139 AromaticContact CG-CD1 3.82Å; F61-F139 HydrophobicContact CG-CD1 3.82Å
62	T	98.8	Very high	98	Very high	29 Å²	29	41.2 Å²	41.2	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.6	169.8	-54.1	0	0	0	0	109.1	G32 K33 I35 E105 T106	G32-T62 CarbonylContact C-O 3.55Å; G32-T62 WeakPolarHBondContact CA-O 3.43Å; K33-T62 PolarHBondContact N-O 2.93Å; K33-T62 PolarHBondContact O-N 3.1Å; I35-T62 VanDerWaalsContact CD1-OG1 3.28Å; I35-T62 WeakPolarHBondContact CD1-OG1 3.41Å; T62-E105 CarbonylContact C-O 3.56Å; T62-E105 WeakPolarHBondContact CA-O 3.29Å; T62-T106 PolarHBondContact OG1-OG1 3.19Å
63	S	98.6	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	140.9	174.7	-170.1	0	0	0	0	111.1	V65 I101 G104 E105 L138	S63-V65 PolarHBondContact OG-N 2.78Å; S63-V65 PolarHBondContact OG-O 3.42Å; S63-I101 WeakPolarHBondContact OG-CG2 3.12Å; S63-G104 WeakPolarHBondContact O-CA 3.26Å; S63-G104 PolarHBondContact O-N 2.87Å; S63-E105 PolarHBondContact N-O 3.38Å; S63-L138 WeakPolarHBondContact OG-CD2 3.22Å
64	N	98.6	Very high	98	Very high	90 Å²	90	37.8 Å²	37.8	48%	0.481	21%	0.213	S	C	.	.	S	Bend	trans	-103.7	4.2	170.3	-63.3	-35.8	0	0	0	112.4	S31 G32 T103	S31-N64 WeakPolarHBondContact O-CA 3.37Å; S31-N64 WeakPolarHBondContact O-CB 3.17Å; S31-N64 PolarHBondContact O-N 2.88Å; G32-N64 WeakPolarHBondContact CA-ND2 3.41Å; G32-N64 PolarHBondContact O-ND2 3.05Å; N64-T103 WeakPolarHBondContact O-CG2 3.5Å
65	V	98.6	Very high	98.1	Very high	40 Å²	40	36.2 Å²	36.2	24%	0.242	20%	0.197	C	C	.	.	S	Bend	trans	-140.2	161.6	-178.1	-58.5	0	0	0	0	111.3	S63 T103 D132 L138	S63-V65 PolarHBondContact OG-N 2.78Å; S63-V65 PolarHBondContact OG-O 3.42Å; V65-T103 VanDerWaalsContact CA-OG1 3.29Å; V65-T103 WeakPolarHBondContact CA-OG1 3.44Å; V65-T103 PolarHBondContact O-N 2.78Å; V65-D132 HydrophobicContact CG2-CB 4.33Å; V65-L138 HydrophobicContact CG2-CD2 3.81Å
66	D	98.6	Very high	98.1	Very high	99 Å²	99	36.4 Å²	36.4	53%	0.529	20%	0.203	S	C	.	.			trans	-85.3	140.1	165.4	-66.3	-10.7	0	0	0	109.3	I101 K102 T103	D66-I101 WeakPolarHBondContact CA-O 3.37Å; D66-K102 WeakPolarHBondContact OD1-CA 3.49Å; D66-T103 PolarHBondContact N-OG1 2.92Å; D66-T103 VanDerWaalsContact N-OG1 3.09Å; D66-T103 WeakPolarHBondContact OD1-CB 3.34Å; D66-T103 PolarHBondContact OD1-N 2.8Å; D66-T103 PolarHBondContact OD1-OG1 2.79Å
67	S	98.5	Very high	98.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-151.3	130.8	176.5	-165.7	0	0	0	0	111.9	K69 P100 I101 N133	S67-K69 PolarHBondContact OG-O 2.77Å; S67-P100 CarbonylContact O-C 3.58Å; S67-I101 PolarHBondContact N-O 3.3Å; S67-I101 WeakPolarHBondContact O-CB 3.25Å; S67-I101 PolarHBondContact O-N 3Å; S67-N133 PolarHBondContact OG-N 3.01Å; S67-N133 PolarHBondContact OG-OD1 2.88Å
68	D	98.2	Very high	97.9	Very high	116 Å²	116	38.4 Å²	38.4	62%	0.62	21%	0.213	S	C	*	.	S	Bend	trans	-79.4	-26	178.7	-58.7	-52.5	0	0	0	112.4	N133	D68-N133 PolarHBondContact N-ND2 2.82Å; D68-N133 VanDerWaalsContact N-ND2 3.19Å; D68-N133 PolarHBondContact OD2-ND2 3.47Å
69	K	97.2	Very high	97.7	Very high	99 Å²	99	40.6 Å²	40.6	43%	0.43	25%	0.245	S	C	.	.			trans	-126.2	162.6	176.7	86	-157.5	163	162.4	0	111.3	S67 N133	S67-K69 PolarHBondContact OG-O 2.77Å; K69-N133 WeakPolarHBondContact CG-OD1 3.44Å; K69-N133 PolarHBondContact N-OD1 2.82Å; K69-N133 VanDerWaalsContact N-OD1 3.1Å
70	S	98.3	Very high	97.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	28%	0.276	C	S	.	.			trans	-142.7	142.4	165.2	56	0	0	0	0	110.1	G92 C93 T131	S70-G92 PolarHBondContact O-N 3.17Å; S70-G92 VanDerWaalsContact OG-C 3.3Å; S70-G92 VanDerWaalsContact OG-CA 3.26Å; S70-G92 WeakPolarHBondContact OG-CA 3.47Å; S70-C93 PolarHBondContact OG-N 2.92Å; S70-T131 CarbonylContact C-O 3.6Å; S70-T131 WeakPolarHBondContact CA-O 3.37Å
71	T	98.5	Very high	97.2	Very high	53 Å²	53	47.6 Å²	47.6	33%	0.325	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122	-176.9	-48.6	0	0	0	0	111	P90 L130 T131	T71-P90 CarbonylContact C-O 3.42Å; T71-P90 WeakPolarHBondContact CA-O 3.42Å; T71-P90 HydrophobicContact CG2-CB 4.32Å; T71-L130 WeakPolarHBondContact O-CA 3.47Å; T71-T131 PolarHBondContact N-O 2.85Å; T71-T131 PolarHBondContact O-N 2.74Å; T71-T131 PolarHBondContact O-OG1 2.93Å
72	A	98.4	Very high	97	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.6	178.7	0	0	0	0	0	111.3	I87 P90 Y109 E129 L130	A72-I87 HydrophobicContact CB-CD1 3.63Å; A72-P90 PolarHBondContact N-O 2.7Å; A72-Y109 HydrophobicContact CB-CE2 4.06Å; A72-Y109 WeakPolarHBondContact CB-OH 3.45Å; A72-E129 CarbonylContact C-O 3.52Å; A72-E129 VanDerWaalsContact CA-O 3.25Å; A72-E129 WeakPolarHBondContact CA-O 3.33Å; A72-L130 HydrophobicContact CB-CD1 3.95Å
73	V	97.8	Very high	96.9	Very high	55 Å²	55	54.1 Å²	54.1	33%	0.333	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.8	176.9	-176.1	0	0	0	0	108	H75 E129	V73-H75 VanDerWaalsContact CG1-CE1 3.44Å; V73-H75 WeakPolarHBondContact CG1-CE1 3.38Å; V73-E129 HydrophobicContact CB-CB 4.31Å; V73-E129 PolarHBondContact N-O 3.04Å; V73-E129 PolarHBondContact O-N 2.86Å
74	V	97.9	Very high	96.7	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.055	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134	-175.2	-174.6	0	0	0	0	110.1	F85 I87 V126 E127 W128	V74-F85 HydrophobicContact CB-CB 4.3Å; V74-F85 HydrophobicContact CG1-CB 4.12Å; V74-F85 HydrophobicContact CG1-CD1 4.41Å; V74-F85 PolarHBondContact O-N 2.88Å; V74-I87 HydrophobicContact CB-CG2 4.23Å; V74-I87 HydrophobicContact CG2-CD1 4.2Å; V74-I87 HydrophobicContact CG2-CG2 3.8Å; V74-V126 HydrophobicContact CG1-CG1 4.03Å; V74-E127 WeakPolarHBondContact CA-O 3.46Å; V74-W128 HydrophobicContact CG1-CD2 4.45Å; V74-W128 HydrophobicContact CG1-CE3 4.12Å; V74-W128 HydrophobicContact CG1-CZ3 4.47Å; V74-W128 HydrophobicContact CG2-CD2 3.55Å; V74-W128 HydrophobicContact CG2-CE3 3.92Å; V74-W128 HydrophobicContact CG2-CG 3.95Å; V74-W128 HydrophobicContact CG2-CH2 4.22Å; V74-W128 HydrophobicContact CG2-CZ2 3.84Å; V74-W128 HydrophobicContact CG2-CZ3 4.24Å
75	H	97.7	Very high	96.5	Very high	43 Å²	43	57.6 Å²	57.6	20%	0.199	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.1	174.1	-60.5	95	0	0	0	110.5	V73 P82 I83 E127 E129	V73-H75 VanDerWaalsContact CG1-CE1 3.44Å; V73-H75 WeakPolarHBondContact CG1-CE1 3.38Å; H75-P82 HydrophobicContact CB-CB 4.44Å; H75-I83 CarbonylContact C-O 3.59Å; H75-I83 WeakPolarHBondContact CA-O 3.25Å; H75-E127 HydrophobicContact CB-CB 4.25Å; H75-E127 PolarHBondContact N-O 2.99Å; H75-E127 PolarHBondContact O-N 2.81Å; H75-E129 IonicContact CE1-OE2 3.76Å; H75-E129 IonicContact ND1-OE2 3.51Å
76	G	96.4	Very high	96.3	Very high	18 Å²	18	61.3 Å²	61.3	19%	0.186	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.5	165.6	0	0	0	0	0	109.9	I83	G76-I83 PolarHBondContact N-O 3.45Å; G76-I83 WeakPolarHBondContact O-CB 3.39Å; G76-I83 PolarHBondContact O-N 2.94Å
77	I	97	Very high	96.1	Very high	31 Å²	31	57.4 Å²	57.4	16%	0.159	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.6	177.1	-54.3	166.6	0	0	0	108.9	I81 P82 C124 V125 E127 K142	I77-I81 WeakPolarHBondContact CA-O 3.37Å; I77-P82 HydrophobicContact CG1-CB 4.36Å; I77-C124 WeakPolarHBondContact O-CA 3.4Å; I77-C124 WeakPolarHBondContact O-CB 3.39Å; I77-V125 HydrophobicContact CB-CB 4.2Å; I77-V125 HydrophobicContact CD1-CB 4.39Å; I77-V125 HydrophobicContact CD1-CG1 4.25Å; I77-V125 PolarHBondContact N-O 3.02Å; I77-V125 PolarHBondContact O-N 2.87Å; I77-V125 VanDerWaalsContact O-N 3.08Å; I77-E127 HydrophobicContact CD1-CB 4.18Å; I77-K142 HydrophobicContact CD1-CD 4.37Å
78	V	94.4	Very high	95.9	Very high	50 Å²	50	62.2 Å²	62.2	30%	0.303	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.6	179.3	-179.1	0	0	0	0	108.6	G80 I81 I83 I122 C124	V78-G80 PolarHBondContact O-N 2.87Å; V78-I81 PolarHBondContact N-O 2.87Å; V78-I81 PolarHBondContact O-N 2.86Å; V78-I83 HydrophobicContact CB-CD1 4.29Å; V78-I83 HydrophobicContact CG2-CD1 4.29Å; V78-I122 HydrophobicContact CG1-CD1 3.56Å; V78-C124 HydrophobicContact CG2-CB 3.87Å
79	G	92.1	Very high	95.8	Very high	82 Å²	82	59.5 Å²	59.5	85%	0.845	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	26.7	-177.2	0	0	0	0	0	114	I81	G79-I81 VanDerWaalsContact C-N 3.33Å
80	G	91.7	Very high	95.8	Very high	64 Å²	64	57.7 Å²	57.7	66%	0.66	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-1.8	-176.6	0	0	0	0	0	115.1	V78	V78-G80 PolarHBondContact O-N 2.87Å
81	I	94.9	Very high	95.8	Very high	113 Å²	113	60.6 Å²	60.6	58%	0.579	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.2	179.9	-57.3	174.2	0	0	0	109.2	I77 V78 G79	I77-I81 WeakPolarHBondContact CA-O 3.37Å; V78-I81 PolarHBondContact N-O 2.87Å; V78-I81 PolarHBondContact O-N 2.86Å; G79-I81 VanDerWaalsContact C-N 3.33Å
82	P	95.4	Very high	95.8	Very high	77 Å²	77	58.1 Å²	58.1	50%	0.5	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.6	175	30.4	-32.7	0	0	0	110.7	H75 I77	H75-P82 HydrophobicContact CB-CB 4.44Å; I77-P82 HydrophobicContact CG1-CB 4.36Å
83	I	95.3	Very high	95.7	Very high	90 Å²	90	59.4 Å²	59.4	46%	0.462	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.9	178.1	-56	174	0	0	0	108.1	H75 G76 V78 F85	H75-I83 CarbonylContact C-O 3.59Å; H75-I83 WeakPolarHBondContact CA-O 3.25Å; G76-I83 PolarHBondContact N-O 3.45Å; G76-I83 WeakPolarHBondContact O-CB 3.39Å; G76-I83 PolarHBondContact O-N 2.94Å; V78-I83 HydrophobicContact CB-CD1 4.29Å; V78-I83 HydrophobicContact CG2-CD1 4.29Å; I83-F85 PolarHBondContact O-N 2.84Å
84	P	95.4	Very high	95.7	Very high	96 Å²	96	66 Å²	66	62%	0.623	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.7	178.2	-24.2	33.6	0	0	0	112.4
85	F	94.4	Very high	95.7	Very high	67 Å²	67	66 Å²	66	29%	0.294	41%	0.405	S	S	.	.			trans	-119	109.4	175.8	-171	-90.7	0	0	0	110.1	V74 I83 I87 L113 Y119	V74-F85 HydrophobicContact CB-CB 4.3Å; V74-F85 HydrophobicContact CG1-CB 4.12Å; V74-F85 HydrophobicContact CG1-CD1 4.41Å; V74-F85 PolarHBondContact O-N 2.88Å; I83-F85 PolarHBondContact O-N 2.84Å; F85-I87 HydrophobicContact CD1-CG2 3.83Å; F85-I87 HydrophobicContact CE1-CG2 4.11Å; F85-I87 PolarHBondContact O-N 2.76Å; F85-L113 HydrophobicContact CE1-CD1 3.99Å; F85-Y119 HydrophobicContact CE2-CE2 4.05Å; F85-Y119 AromaticContact CE2-CZ 3.82Å; F85-Y119 VanDerWaalsContact CE2-OH 3.27Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.49Å; F85-Y119 HydrophobicContact CZ-CE2 4.38Å
86	S	93.3	Very high	95.6	Very high	117 Å²	117	67 Å²	67	82%	0.818	43%	0.426	S	S	*	.			trans	-72.5	115.7	178.6	-55.3	0	0	0	0	111
87	I	95.1	Very high	95.7	Very high	17 Å²	17	66.3 Å²	66.3	9%	0.087	42%	0.418	C	S	.	.			trans	-92	148.1	173.5	59.6	175.4	0	0	0	111.4	A72 V74 F85 V89 P90 L113	A72-I87 HydrophobicContact CB-CD1 3.63Å; V74-I87 HydrophobicContact CB-CG2 4.23Å; V74-I87 HydrophobicContact CG2-CD1 4.2Å; V74-I87 HydrophobicContact CG2-CG2 3.8Å; F85-I87 HydrophobicContact CD1-CG2 3.83Å; F85-I87 HydrophobicContact CE1-CG2 4.11Å; F85-I87 PolarHBondContact O-N 2.76Å; I87-V89 VanDerWaalsContact C-N 3.32Å; I87-V89 PolarHBondContact O-N 2.93Å; I87-P90 HydrophobicContact CG1-CG 4.33Å; I87-L113 HydrophobicContact CB-CD2 4.11Å; I87-L113 HydrophobicContact CG2-CD1 3.85Å; I87-L113 HydrophobicContact CG2-CD2 3.83Å; I87-L113 HydrophobicContact CG2-CG 4.5Å
88	P	93.7	Very high	95.7	Very high	103 Å²	103	72.2 Å²	72.2	67%	0.669	45%	0.445	S	S	*	.	S	Bend	trans	-65.8	-31.6	-176.1	-22.4	33.5	0	0	0	114.4
89	V	96.6	Very high	95.8	Very high	59 Å²	59	71 Å²	71	36%	0.358	44%	0.439	S	S	.	.			trans	-126.2	90.3	-179.4	-173.3	0	0	0	0	108.6	I87 D91 R94	I87-V89 VanDerWaalsContact C-N 3.32Å; I87-V89 PolarHBondContact O-N 2.93Å; V89-D91 VanDerWaalsContact C-N 3.33Å; V89-R94 HydrophobicContact CG1-CB 3.87Å
90	P	97.4	Very high	96.1	Very high	60 Å²	60	70 Å²	70	39%	0.39	42%	0.417	S	S	.	.			trans	-73.3	-25	175.1	-19.1	33	0	0	0	113.2	T71 A72 I87 G92	T71-P90 CarbonylContact C-O 3.42Å; T71-P90 WeakPolarHBondContact CA-O 3.42Å; T71-P90 HydrophobicContact CG2-CB 4.32Å; A72-P90 PolarHBondContact N-O 2.7Å; I87-P90 HydrophobicContact CG1-CG 4.33Å; P90-G92 PolarHBondContact O-N 2.85Å; P90-G92 VanDerWaalsContact O-N 3.14Å
91	D	98.1	Very high	96.4	Very high	63 Å²	63	67 Å²	67	34%	0.337	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-71	106.9	-179.5	-178.7	-2.9	0	0	0	110.9	V89 C93 R94	V89-D91 VanDerWaalsContact C-N 3.33Å; D91-C93 PolarHBondContact O-N 2.95Å; D91-C93 VanDerWaalsContact OD1-CB 3.25Å; D91-C93 WeakPolarHBondContact OD1-CB 3.39Å; D91-C93 PolarHBondContact OD1-N 3.1Å; D91-R94 HydrophobicContact CB-CB 4.44Å; D91-R94 HydrophobicContact CB-CG 4.28Å; D91-R94 WeakPolarHBondContact O-CB 3.17Å; D91-R94 PolarHBondContact O-N 3.23Å; D91-R94 WeakPolarHBondContact OD2-CD 3.38Å; D91-R94 WeakPolarHBondContact OD2-CG 3.4Å
92	G	97.9	Very high	96.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-64.2	-27.6	-178.1	0	0	0	0	0	113.3	S70 P90 R94 S95 I97	S70-G92 PolarHBondContact O-N 3.17Å; S70-G92 VanDerWaalsContact OG-C 3.3Å; S70-G92 VanDerWaalsContact OG-CA 3.26Å; S70-G92 WeakPolarHBondContact OG-CA 3.47Å; P90-G92 PolarHBondContact O-N 2.85Å; P90-G92 VanDerWaalsContact O-N 3.14Å; G92-R94 PolarHBondContact O-N 2.03Å; G92-R94 VanDerWaalsContact O-N 3.1Å; G92-S95 PolarHBondContact O-N 2.89Å; G92-I97 WeakPolarHBondContact O-CB 3.07Å
93	C	98.1	Very high	96.7	Very high	34 Å²	34	65.7 Å²	65.7	23%	0.23	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-66.2	-10.8	174.1	-58.4	0	0	0	0	112.6	S70 D91 I97 C99	S70-C93 PolarHBondContact OG-N 2.92Å; D91-C93 PolarHBondContact O-N 2.95Å; D91-C93 VanDerWaalsContact OD1-CB 3.25Å; D91-C93 WeakPolarHBondContact OD1-CB 3.39Å; D91-C93 PolarHBondContact OD1-N 3.1Å; C93-I97 CarbonylContact C-O 3.54Å; C93-I97 WeakPolarHBondContact CA-O 3.02Å; C93-C99 VanDerWaalsContact CA-SG 3.59Å; C93-C99 HydrophobicContact CB-CB 3.72Å; C93-C99 WeakPolarHBondContact CB-SG 3.02Å; C93-C99 WeakPolarHBondContact SG-CB 3.37Å; C93-C99 CovalentContact SG-SG 2.02Å; C93-C99 PolarHBondContact SG-SG 3.26Å
94	R	98.1	Very high	96.9	Very high	192 Å²	192	64 Å²	64	73%	0.725	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-108.8	9.2	174.8	-60.4	-177.9	64.5	-175.3	-1.5	112.7	V89 D91 G92	V89-R94 HydrophobicContact CG1-CB 3.87Å; D91-R94 HydrophobicContact CB-CB 4.44Å; D91-R94 HydrophobicContact CB-CG 4.28Å; D91-R94 WeakPolarHBondContact O-CB 3.17Å; D91-R94 PolarHBondContact O-N 3.23Å; D91-R94 WeakPolarHBondContact OD2-CD 3.38Å; D91-R94 WeakPolarHBondContact OD2-CG 3.4Å; G92-R94 PolarHBondContact O-N 2.03Å; G92-R94 VanDerWaalsContact O-N 3.1Å
95	S	97.6	Very high	97	Very high	11 Å²	11	64 Å²	64	8%	0.077	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	47.3	-174.5	-68.8	0	0	0	0	111.3	G92 Y109 Q110	G92-S95 PolarHBondContact O-N 2.89Å; S95-Y109 VanDerWaalsContact CB-CE2 3.41Å; S95-Y109 CarbonylContact O-C 3.59Å; S95-Y109 WeakPolarHBondContact O-CA 3.42Å; S95-Q110 VanDerWaalsContact CB-O 3.28Å; S95-Q110 WeakPolarHBondContact CB-O 3.26Å; S95-Q110 PolarHBondContact O-N 2.96Å
96	G	95	Very high	97.2	Very high	63 Å²	63	64.4 Å²	64.4	65%	0.649	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-5.1	177	0	0	0	0	0	115.6	N108	G96-N108 CarbonylContact C-O 3.53Å; G96-N108 VanDerWaalsContact C-O 3.3Å
97	I	97.9	Very high	97.5	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	34%	0.343	C	S	.	.			trans	-98.2	124.2	179	-54.4	173.2	0	0	0	109.8	F61 G92 C93 C99 I101 Y107 Y109 L130	F61-I97 HydrophobicContact CE1-CD1 3.88Å; F61-I97 HydrophobicContact CE1-CG1 4.45Å; F61-I97 HydrophobicContact CZ-CD1 3.93Å; G92-I97 WeakPolarHBondContact O-CB 3.07Å; C93-I97 CarbonylContact C-O 3.54Å; C93-I97 WeakPolarHBondContact CA-O 3.02Å; I97-C99 PolarHBondContact O-N 2.02Å; I97-I101 HydrophobicContact CG2-CD1 3.85Å; I97-I101 HydrophobicContact CG2-CG1 3.67Å; I97-Y107 HydrophobicContact CG2-CD1 3.79Å; I97-Y107 HydrophobicContact CG2-CE1 4.33Å; I97-Y107 HydrophobicContact CG2-CG 4.16Å; I97-Y109 HydrophobicContact CD1-CD2 4.05Å; I97-L130 HydrophobicContact CD1-CD2 3.44Å; I97-L130 VanDerWaalsContact CD1-CD2 3.44Å
98	Q	96.7	Very high	97.6	Very high	155 Å²	155	63 Å²	63	72%	0.724	36%	0.361	S	S	*	.			trans	-83.8	110.7	171	-176.3	60.4	51.2	0	0	109.6
99	C	97	Very high	97.9	Very high	25 Å²	25	58 Å²	58	17%	0.169	33%	0.329	C	S	.	.	S	Bend	trans	-88.4	153.6	175.2	-67.5	0	0	0	0	111.7	C93 I97	C93-C99 VanDerWaalsContact CA-SG 3.59Å; C93-C99 HydrophobicContact CB-CB 3.72Å; C93-C99 WeakPolarHBondContact CB-SG 3.02Å; C93-C99 WeakPolarHBondContact SG-CB 3.37Å; C93-C99 CovalentContact SG-SG 2.02Å; C93-C99 PolarHBondContact SG-SG 3.26Å; I97-C99 PolarHBondContact O-N 2.02Å
100	P	98.2	Very high	97.9	Very high	61 Å²	61	60 Å²	60	40%	0.396	33%	0.334	S	S	.	.	S	Bend	cis	-71.9	139.1	0.2	30.5	-35	0	0	0	112.8	S67	S67-P100 CarbonylContact O-C 3.58Å
101	I	98.6	Very high	97.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-65.9	138.8	173	-64.7	174.9	0	0	0	108.8	S63 D66 S67 I97 Y107 L138	S63-I101 WeakPolarHBondContact OG-CG2 3.12Å; D66-I101 WeakPolarHBondContact CA-O 3.37Å; S67-I101 PolarHBondContact N-O 3.3Å; S67-I101 WeakPolarHBondContact O-CB 3.25Å; S67-I101 PolarHBondContact O-N 3Å; I97-I101 HydrophobicContact CG2-CD1 3.85Å; I97-I101 HydrophobicContact CG2-CG1 3.67Å; I101-Y107 WeakPolarHBondContact CA-OH 3.06Å; I101-Y107 HydrophobicContact CB-CE2 4.4Å; I101-Y107 HydrophobicContact CG2-CD2 4.3Å; I101-Y107 HydrophobicContact CG2-CE2 3.64Å; I101-L138 HydrophobicContact CD1-CD1 3.59Å
102	K	98.6	Very high	97.8	Very high	85 Å²	85	58 Å²	58	37%	0.37	33%	0.327	S	S	.	.			trans	-118.1	142.8	-179.9	-59.8	-57.4	-178.9	-169.3	0	111.8	D66 G104 E105 Y107	D66-K102 WeakPolarHBondContact OD1-CA 3.49Å; K102-G104 PolarHBondContact O-N 3.43Å; K102-E105 HydrophobicContact CB-CB 4.49Å; K102-E105 HydrophobicContact CB-CG 3.99Å; K102-E105 PolarHBondContact O-N 3.27Å; K102-Y107 PolarHBondContact N-OH 3.46Å
103	T	98.4	Very high	97.6	Very high	78 Å²	78	59.1 Å²	59.1	48%	0.479	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	132.8	175.7	-56.2	0	0	0	0	110.9	N64 V65 D66 E105	N64-T103 WeakPolarHBondContact O-CG2 3.5Å; V65-T103 VanDerWaalsContact CA-OG1 3.29Å; V65-T103 WeakPolarHBondContact CA-OG1 3.44Å; V65-T103 PolarHBondContact O-N 2.78Å; D66-T103 PolarHBondContact N-OG1 2.92Å; D66-T103 VanDerWaalsContact N-OG1 3.09Å; D66-T103 WeakPolarHBondContact OD1-CB 3.34Å; D66-T103 PolarHBondContact OD1-N 2.8Å; D66-T103 PolarHBondContact OD1-OG1 2.79Å; T103-E105 PolarHBondContact O-N 3.21Å
104	G	98.4	Very high	97.5	Very high	53 Å²	53	60.6 Å²	60.6	55%	0.546	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-9.7	179.2	0	0	0	0	0	114.8	S63 K102	S63-G104 WeakPolarHBondContact O-CA 3.26Å; S63-G104 PolarHBondContact O-N 2.87Å; K102-G104 PolarHBondContact O-N 3.43Å
105	E	98.6	Very high	97.3	Very high	98 Å²	98	52 Å²	52	46%	0.458	31%	0.311	S	S	.	.			trans	-82.5	150.7	176.8	-69.4	-169	176.3	0	0	112.1	T62 S63 K102 T103 Y107	T62-E105 CarbonylContact C-O 3.56Å; T62-E105 WeakPolarHBondContact CA-O 3.29Å; S63-E105 PolarHBondContact N-O 3.38Å; K102-E105 HydrophobicContact CB-CB 4.49Å; K102-E105 HydrophobicContact CB-CG 3.99Å; K102-E105 PolarHBondContact O-N 3.27Å; T103-E105 PolarHBondContact O-N 3.21Å; E105-Y107 HydrophobicContact CB-CD2 4.48Å; E105-Y107 HydrophobicContact CB-CE2 3.56Å; E105-Y107 WeakPolarHBondContact CB-OH 3.21Å; E105-Y107 PolarHBondContact OE2-OH 2.91Å
106	T	98.7	Very high	97.2	Very high	75 Å²	75	56 Å²	56	46%	0.46	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132	178.1	-63.5	0	0	0	0	110.3	I35 T60 F61 T62	I35-T106 HydrophobicContact CD1-CG2 3.57Å; T60-T106 HydrophobicContact CG2-CG2 3.71Å; F61-T106 CarbonylContact O-C 3.48Å; F61-T106 WeakPolarHBondContact O-CA 3.29Å; T62-T106 PolarHBondContact OG1-OG1 3.19Å
107	Y	98.6	Very high	97.3	Very high	17 Å²	17	58 Å²	58	7%	0.067	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159	-176.5	-60.3	-84.9	0	0	0	110.9	T60 F61 I97 I101 K102 E105	T60-Y107 WeakPolarHBondContact CA-O 3.45Å; F61-Y107 HydrophobicContact CE2-CD2 4.28Å; F61-Y107 HydrophobicContact CZ-CD2 4.22Å; F61-Y107 HydrophobicContact CZ-CG 4.32Å; F61-Y107 PolarHBondContact N-O 2.63Å; F61-Y107 PolarHBondContact O-N 3.34Å; I97-Y107 HydrophobicContact CG2-CD1 3.79Å; I97-Y107 HydrophobicContact CG2-CE1 4.33Å; I97-Y107 HydrophobicContact CG2-CG 4.16Å; I101-Y107 WeakPolarHBondContact CA-OH 3.06Å; I101-Y107 HydrophobicContact CB-CE2 4.4Å; I101-Y107 HydrophobicContact CG2-CD2 4.3Å; I101-Y107 HydrophobicContact CG2-CE2 3.64Å; K102-Y107 PolarHBondContact N-OH 3.46Å; E105-Y107 HydrophobicContact CB-CD2 4.48Å; E105-Y107 HydrophobicContact CB-CE2 3.56Å; E105-Y107 WeakPolarHBondContact CB-OH 3.21Å; E105-Y107 PolarHBondContact OE2-OH 2.91Å
108	N	98	Very high	97.1	Very high	86 Å²	86	64 Å²	64	46%	0.46	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.7	171	-68.3	-68.8	0	0	0	108.6	T60 G96	T60-N108 WeakPolarHBondContact CB-OD1 3.39Å; T60-N108 WeakPolarHBondContact CG2-OD1 3.46Å; T60-N108 PolarHBondContact OG1-OD1 2.93Å; G96-N108 CarbonylContact C-O 3.53Å; G96-N108 VanDerWaalsContact C-O 3.3Å
109	Y	98.5	Very high	97	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.6	167	174.6	-96.7	0	0	0	109.4	N58 V59 A72 S95 I97 A111 W128 L130 F139	N58-Y109 CarbonylContact C-O 3.56Å; N58-Y109 WeakPolarHBondContact CA-O 3.27Å; V59-Y109 HydrophobicContact CB-CD1 4.48Å; V59-Y109 HydrophobicContact CG2-CD1 4.32Å; V59-Y109 PolarHBondContact N-O 2.92Å; V59-Y109 PolarHBondContact O-N 3.41Å; A72-Y109 HydrophobicContact CB-CE2 4.06Å; A72-Y109 WeakPolarHBondContact CB-OH 3.45Å; S95-Y109 VanDerWaalsContact CB-CE2 3.41Å; S95-Y109 CarbonylContact O-C 3.59Å; S95-Y109 WeakPolarHBondContact O-CA 3.42Å; I97-Y109 HydrophobicContact CD1-CD2 4.05Å; Y109-A111 HydrophobicContact CE1-CB 3.8Å; Y109-W128 AromaticContact CE1-CE2 3.61Å; Y109-W128 AromaticContact CE1-CZ2 3.58Å; Y109-W128 HydrophobicContact CE1-CZ2 3.58Å; Y109-W128 AromaticContact CE1-NE1 3.37Å; Y109-W128 AromaticContact CZ-CZ2 3.89Å; Y109-W128 AromaticContact CZ-NE1 3.63Å; Y109-W128 VanDerWaalsContact OH-CZ2 3.3Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.45Å; Y109-W128 PolarHBondContact OH-NE1 2.86Å; Y109-L130 HydrophobicContact CD2-CD1 4.19Å; Y109-L130 HydrophobicContact CE2-CD1 4.16Å; Y109-F139 HydrophobicContact CD1-CE1 4.45Å; Y109-F139 AromaticContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CE1-CZ 4.46Å; Y109-F139 HydrophobicContact CG-CE1 4.14Å; Y109-F139 HydrophobicContact CG-CZ 4Å
110	Q	97.5	Very high	96.9	Very high	99 Å²	99	62.1 Å²	62.1	46%	0.463	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.9	177.2	-176.8	176.5	101.4	0	0	111.6	T56 V57 N58 S95	T56-Q110 HydrophobicContact CG2-CG 3.52Å; V57-Q110 WeakPolarHBondContact O-CA 2.98Å; N58-Q110 WeakPolarHBondContact OD1-CB 3.22Å; N58-Q110 VanDerWaalsContact OD1-CG 3.26Å; N58-Q110 WeakPolarHBondContact OD1-CG 3.16Å; N58-Q110 PolarHBondContact OD1-NE2 3.42Å; S95-Q110 VanDerWaalsContact CB-O 3.28Å; S95-Q110 WeakPolarHBondContact CB-O 3.26Å; S95-Q110 PolarHBondContact O-N 2.96Å
111	A	97	Very high	96.8	Very high	12 Å²	12	62.2 Å²	62.2	10%	0.099	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.5	172.5	0	0	0	0	0	111.5	T56 V57 Y109 W128	T56-A111 CarbonylContact C-O 3.51Å; T56-A111 WeakPolarHBondContact CA-O 3.34Å; V57-A111 PolarHBondContact N-O 2.93Å; V57-A111 PolarHBondContact O-N 3.18Å; Y109-A111 HydrophobicContact CE1-CB 3.8Å; A111-W128 HydrophobicContact CB-CH2 3.7Å; A111-W128 HydrophobicContact CB-CZ2 3.55Å
112	S	95.8	Very high	96.8	Very high	69 Å²	69	65.2 Å²	65.2	48%	0.483	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.7	173.3	-69.4	0	0	0	0	110.1	Y55 T56	Y55-S112 WeakPolarHBondContact O-CA 3.34Å; T56-S112 WeakPolarHBondContact CG2-OG 3.38Å; T56-S112 PolarHBondContact OG1-OG 2.78Å
113	L	94.4	Very high	96.7	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.131	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.5	-175.7	-62.4	176.5	0	0	0	111.2	S54 Y55 F85 I87 W128	S54-L113 WeakPolarHBondContact CA-O 3.41Å; Y55-L113 PolarHBondContact N-O 3.01Å; Y55-L113 PolarHBondContact O-N 2.81Å; F85-L113 HydrophobicContact CE1-CD1 3.99Å; I87-L113 HydrophobicContact CB-CD2 4.11Å; I87-L113 HydrophobicContact CG2-CD1 3.85Å; I87-L113 HydrophobicContact CG2-CD2 3.83Å; I87-L113 HydrophobicContact CG2-CG 4.5Å; L113-W128 HydrophobicContact CD1-CH2 3.48Å; L113-W128 VanDerWaalsContact CD1-CH2 3.48Å; L113-W128 HydrophobicContact CD1-CZ3 3.81Å; L113-W128 HydrophobicContact CG-CH2 4.29Å
114	P	94.9	Very high	96.6	Very high	64 Å²	64	65.4 Å²	65.4	42%	0.416	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.2	171.3	32	-33	0	0	0	110.9	K116	P114-K116 PolarHBondContact O-N 3.08Å
115	V	95.9	Very high	96.6	Very high	11 Å²	11	65.4 Å²	65.4	7%	0.067	35%	0.352	C	S	.	.			trans	-89.5	102.1	168.5	-177.4	0	0	0	0	106.7	L49 H50 K51 G52 N53 Y55 Y119 I147	L49-V115 HydrophobicContact CB-CG2 3.91Å; L49-V115 HydrophobicContact CD1-CG2 4.41Å; H50-V115 WeakPolarHBondContact O-CB 3.45Å; K51-V115 CarbonylContact C-O 3.59Å; K51-V115 HydrophobicContact CG-CG1 4.33Å; G52-V115 PolarHBondContact N-O 3.18Å; N53-V115 PolarHBondContact O-N 3.04Å; Y55-V115 HydrophobicContact CD2-CG2 3.63Å; Y55-V115 HydrophobicContact CE2-CG2 3.88Å; V115-Y119 HydrophobicContact CG1-CD2 4.11Å; V115-I147 HydrophobicContact CG1-CG2 4.02Å
116	K	94.3	Very high	96.6	Very high	95 Å²	95	61.7 Å²	61.7	41%	0.413	34%	0.336	S	S	.	.			trans	-70.2	149.8	-172.1	-53	-173.5	-175	-179.7	0	112.3	P114 E118 Y119	P114-K116 PolarHBondContact O-N 3.08Å; K116-E118 VanDerWaalsContact C-N 3.25Å; K116-E118 VanDerWaalsContact CB-CD 3.5Å; K116-E118 HydrophobicContact CB-CG 4.22Å; K116-E118 VanDerWaalsContact CB-OE2 3.26Å; K116-E118 WeakPolarHBondContact CB-OE2 3.4Å; K116-E118 WeakPolarHBondContact CD-OE1 3.46Å; K116-E118 PolarHBondContact O-N 2.75Å; K116-Y119 HydrophobicContact CB-CD1 4.07Å; K116-Y119 HydrophobicContact CB-CD2 4.1Å; K116-Y119 HydrophobicContact CB-CE1 3.87Å; K116-Y119 HydrophobicContact CB-CE2 3.87Å; K116-Y119 HydrophobicContact CB-CG 4.19Å; K116-Y119 HydrophobicContact CD-CE1 3.95Å; K116-Y119 HydrophobicContact CG-CE1 4.04Å; K116-Y119 HydrophobicContact CG-CE2 3.87Å; K116-Y119 VanDerWaalsContact N-CD2 3.26Å; K116-Y119 VanDerWaalsContact N-CE2 3.26Å; K116-Y119 WeakPolarHBondContact O-CB 3.44Å; K116-Y119 PolarHBondContact O-N 2.83Å; K116-Y119 VanDerWaalsContact O-N 3.1Å
117	T	96.4	Very high	96.6	Very high	105 Å²	105	59.5 Å²	59.5	64%	0.644	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.8	-178.6	16.2	0	0	0	0	113.4	K51 Y119	K51-T117 HydrophobicContact CB-CG2 4.23Å; T117-Y119 PolarHBondContact O-N 3.06Å
118	E	94.8	Very high	96.6	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-11.8	175	63.9	-96	-145.6	0	0	114.3	K116	K116-E118 VanDerWaalsContact C-N 3.25Å; K116-E118 VanDerWaalsContact CB-CD 3.5Å; K116-E118 HydrophobicContact CB-CG 4.22Å; K116-E118 VanDerWaalsContact CB-OE2 3.26Å; K116-E118 WeakPolarHBondContact CB-OE2 3.4Å; K116-E118 WeakPolarHBondContact CD-OE1 3.46Å; K116-E118 PolarHBondContact O-N 2.75Å
119	Y	94	Very high	96.6	Very high	53 Å²	53	56.6 Å²	56.6	21%	0.208	31%	0.305	C	S	.	.	S	Bend	trans	-67.7	141.4	-179.1	-64.8	-15.6	0	0	0	111.6	K51 F85 V115 K116 T117	K51-Y119 WeakPolarHBondContact CE-O 3.43Å; K51-Y119 PolarHBondContact NZ-O 2.92Å; F85-Y119 HydrophobicContact CE2-CE2 4.05Å; F85-Y119 AromaticContact CE2-CZ 3.82Å; F85-Y119 VanDerWaalsContact CE2-OH 3.27Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.49Å; F85-Y119 HydrophobicContact CZ-CE2 4.38Å; V115-Y119 HydrophobicContact CG1-CD2 4.11Å; K116-Y119 HydrophobicContact CB-CD1 4.07Å; K116-Y119 HydrophobicContact CB-CD2 4.1Å; K116-Y119 HydrophobicContact CB-CE1 3.87Å; K116-Y119 HydrophobicContact CB-CE2 3.87Å; K116-Y119 HydrophobicContact CB-CG 4.19Å; K116-Y119 HydrophobicContact CD-CE1 3.95Å; K116-Y119 HydrophobicContact CG-CE1 4.04Å; K116-Y119 HydrophobicContact CG-CE2 3.87Å; K116-Y119 VanDerWaalsContact N-CD2 3.26Å; K116-Y119 VanDerWaalsContact N-CE2 3.26Å; K116-Y119 WeakPolarHBondContact O-CB 3.44Å; K116-Y119 PolarHBondContact O-N 2.83Å; K116-Y119 VanDerWaalsContact O-N 3.1Å; T117-Y119 PolarHBondContact O-N 3.06Å
120	P	94.6	Very high	96.6	Very high	87 Å²	87	56.6 Å²	56.6	57%	0.565	31%	0.305	S	S	*	.			trans	-68.6	146.4	176.3	29.1	-34.4	0	0	0	110.8	I122 I147	P120-I122 HydrophobicContact CG-CG2 4.36Å; P120-I122 PolarHBondContact O-N 3.26Å; P120-I147 WeakPolarHBondContact O-CB 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.33Å
121	S	97.7	Very high	96.7	Very high	63 Å²	63	52.6 Å²	52.6	44%	0.441	29%	0.287	S	S	.	.			trans	-77.4	105.5	171.1	-55	0	0	0	0	109	K51 I147 N149	K51-S121 WeakPolarHBondContact CE-OG 3.28Å; K51-S121 PolarHBondContact NZ-OG 2.84Å; S121-I147 CarbonylContact C-O 3.46Å; S121-I147 VanDerWaalsContact CA-O 3.22Å; S121-I147 WeakPolarHBondContact CA-O 3.38Å; S121-I147 WeakPolarHBondContact CB-O 3.43Å; S121-N149 PolarHBondContact OG-OD1 2.93Å
122	I	96.8	Very high	96.7	Very high	63 Å²	63	52.5 Å²	52.5	32%	0.323	29%	0.285	S	S	.	.			trans	-151.6	159	-171.3	-160.6	163.4	0	0	0	111.3	V78 P120 Q146 I147	V78-I122 HydrophobicContact CG1-CD1 3.56Å; P120-I122 HydrophobicContact CG-CG2 4.36Å; P120-I122 PolarHBondContact O-N 3.26Å; I122-Q146 CarbonylContact O-C 3.59Å; I122-Q146 WeakPolarHBondContact O-CA 3.47Å; I122-I147 PolarHBondContact N-O 2.9Å; I122-I147 VanDerWaalsContact N-O 3.17Å; I122-I147 PolarHBondContact O-N 3.47Å
123	K	97	Very high	96.7	Very high	150 Å²	150	52.3 Å²	52.3	65%	0.652	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.9	165	-64.9	-179	-178.9	-179.2	0	109.1	Q146	K123-Q146 HydrophobicContact CG-CB 4.22Å; K123-Q146 HydrophobicContact CG-CG 3.88Å
124	C	96.9	Very high	96.8	Very high	18 Å²	18	53.6 Å²	53.6	12%	0.122	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.1	175.2	61.4	0	0	0	0	110.5	I77 V78 V145	I77-C124 WeakPolarHBondContact O-CA 3.4Å; I77-C124 WeakPolarHBondContact O-CB 3.39Å; V78-C124 HydrophobicContact CG2-CB 3.87Å; C124-V145 PolarHBondContact N-O 3.28Å; C124-V145 PolarHBondContact O-N 3.14Å; C124-V145 VanDerWaalsContact O-O 3.09Å; C124-V145 WeakPolarHBondContact SG-CG2 3.38Å
125	V	98.1	Very high	96.9	Very high	52 Å²	52	56.5 Å²	56.5	32%	0.315	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.3	169	176.7	0	0	0	0	107.3	I77 K142	I77-V125 HydrophobicContact CB-CB 4.2Å; I77-V125 HydrophobicContact CD1-CB 4.39Å; I77-V125 HydrophobicContact CD1-CG1 4.25Å; I77-V125 PolarHBondContact N-O 3.02Å; I77-V125 PolarHBondContact O-N 2.87Å; I77-V125 VanDerWaalsContact O-N 3.08Å; V125-K142 HydrophobicContact CG1-CB 3.96Å; V125-K142 HydrophobicContact CG1-CG 4.33Å
126	V	98	Very high	97	Very high	20 Å²	20	61.8 Å²	61.8	12%	0.121	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130	171.2	180	0	0	0	0	107.6	V74 W128 K142 F143 V145	V74-V126 HydrophobicContact CG1-CG1 4.03Å; V126-W128 HydrophobicContact CG1-CE3 4.07Å; V126-K142 VanDerWaalsContact O-CA 3.22Å; V126-K142 WeakPolarHBondContact O-CA 2.95Å; V126-F143 HydrophobicContact CB-CD2 4.2Å; V126-F143 HydrophobicContact CB-CE1 4.18Å; V126-F143 HydrophobicContact CB-CE2 3.69Å; V126-F143 HydrophobicContact CB-CZ 3.7Å; V126-F143 HydrophobicContact CG1-CE1 4.09Å; V126-F143 HydrophobicContact CG1-CE2 4.15Å; V126-F143 HydrophobicContact CG1-CZ 3.66Å; V126-F143 HydrophobicContact CG2-CE2 3.93Å; V126-F143 HydrophobicContact CG2-CZ 4.29Å; V126-F143 PolarHBondContact N-O 2.74Å; V126-F143 PolarHBondContact O-N 3.49Å; V126-V145 HydrophobicContact CG2-CG1 4.16Å; V126-V145 HydrophobicContact CG2-CG2 3.79Å
127	E	98.6	Very high	97.2	Very high	29 Å²	29	58.4 Å²	58.4	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.6	166.9	173	163.9	-152.5	0	0	107.6	V74 H75 I77 I141 K142	V74-E127 WeakPolarHBondContact CA-O 3.46Å; H75-E127 HydrophobicContact CB-CB 4.25Å; H75-E127 PolarHBondContact N-O 2.99Å; H75-E127 PolarHBondContact O-N 2.81Å; I77-E127 HydrophobicContact CD1-CB 4.18Å; E127-I141 WeakPolarHBondContact CA-O 3.5Å; E127-K142 HydrophobicContact CB-CG 4.02Å; E127-K142 HydrophobicContact CG-CG 4.27Å; E127-K142 WeakPolarHBondContact OE1-CE 3.33Å; E127-K142 IonicContact OE1-NZ 2.85Å; E127-K142 PolarHBondContact OE1-NZ 3Å; E127-K142 WeakPolarHBondContact OE2-CE 3.49Å; E127-K142 IonicContact OE2-NZ 2.89Å; E127-K142 PolarHBondContact OE2-NZ 3.32Å
128	W	98.6	Very high	97.3	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.3	-176.1	-157.9	-51.3	0	0	0	109.8	V57 V74 Y109 A111 L113 V126 F139 C140 I141 F143	V57-W128 HydrophobicContact CB-CH2 4.23Å; V57-W128 HydrophobicContact CB-CZ3 4.08Å; V57-W128 HydrophobicContact CG1-CE3 4.39Å; V57-W128 HydrophobicContact CG1-CZ3 4.34Å; V57-W128 HydrophobicContact CG2-CE3 4.4Å; V57-W128 HydrophobicContact CG2-CH2 4.18Å; V57-W128 HydrophobicContact CG2-CZ3 3.71Å; V74-W128 HydrophobicContact CG1-CD2 4.45Å; V74-W128 HydrophobicContact CG1-CE3 4.12Å; V74-W128 HydrophobicContact CG1-CZ3 4.47Å; V74-W128 HydrophobicContact CG2-CD2 3.55Å; V74-W128 HydrophobicContact CG2-CE3 3.92Å; V74-W128 HydrophobicContact CG2-CG 3.95Å; V74-W128 HydrophobicContact CG2-CH2 4.22Å; V74-W128 HydrophobicContact CG2-CZ2 3.84Å; V74-W128 HydrophobicContact CG2-CZ3 4.24Å; Y109-W128 AromaticContact CE1-CE2 3.61Å; Y109-W128 AromaticContact CE1-CZ2 3.58Å; Y109-W128 HydrophobicContact CE1-CZ2 3.58Å; Y109-W128 AromaticContact CE1-NE1 3.37Å; Y109-W128 AromaticContact CZ-CZ2 3.89Å; Y109-W128 AromaticContact CZ-NE1 3.63Å; Y109-W128 VanDerWaalsContact OH-CZ2 3.3Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.45Å; Y109-W128 PolarHBondContact OH-NE1 2.86Å; A111-W128 HydrophobicContact CB-CH2 3.7Å; A111-W128 HydrophobicContact CB-CZ2 3.55Å; L113-W128 HydrophobicContact CD1-CH2 3.48Å; L113-W128 VanDerWaalsContact CD1-CH2 3.48Å; L113-W128 HydrophobicContact CD1-CZ3 3.81Å; L113-W128 HydrophobicContact CG-CH2 4.29Å; V126-W128 HydrophobicContact CG1-CE3 4.07Å; W128-F139 AromaticContact CD1-CE2 3.7Å; W128-F139 HydrophobicContact CG-CE2 4.39Å; W128-C140 WeakPolarHBondContact O-CA 3.35Å; W128-I141 HydrophobicContact CB-CD1 4.38Å; W128-I141 HydrophobicContact CB-CG1 3.87Å; W128-I141 PolarHBondContact N-O 2.8Å; W128-I141 PolarHBondContact O-N 3.24Å; W128-F143 HydrophobicContact CE3-CZ 4.4Å
129	E	98.7	Very high	97.5	Very high	38 Å²	38	47.2 Å²	47.2	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.3	-177.8	-65.3	161.3	102.3	0	0	109.3	A72 V73 H75 F139 C140	A72-E129 CarbonylContact C-O 3.52Å; A72-E129 VanDerWaalsContact CA-O 3.25Å; A72-E129 WeakPolarHBondContact CA-O 3.33Å; V73-E129 HydrophobicContact CB-CB 4.31Å; V73-E129 PolarHBondContact N-O 3.04Å; V73-E129 PolarHBondContact O-N 2.86Å; H75-E129 IonicContact CE1-OE2 3.76Å; H75-E129 IonicContact ND1-OE2 3.51Å; E129-F139 WeakPolarHBondContact CA-O 3.48Å; E129-C140 HydrophobicContact CG-CB 4.25Å
130	L	98.8	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.8	165.4	-175.6	78.6	0	0	0	108.3	F61 T71 A72 I97 Y109 D137 L138 F139	F61-L130 HydrophobicContact CE1-CD2 3.93Å; F61-L130 HydrophobicContact CZ-CD2 3.75Å; T71-L130 WeakPolarHBondContact O-CA 3.47Å; A72-L130 HydrophobicContact CB-CD1 3.95Å; I97-L130 HydrophobicContact CD1-CD2 3.44Å; I97-L130 VanDerWaalsContact CD1-CD2 3.44Å; Y109-L130 HydrophobicContact CD2-CD1 4.19Å; Y109-L130 HydrophobicContact CE2-CD1 4.16Å; L130-D137 CarbonylContact O-C 3.57Å; L130-D137 WeakPolarHBondContact O-CA 3.2Å; L130-L138 HydrophobicContact CD2-CB 4.37Å; L130-L138 HydrophobicContact CD2-CD1 3.93Å; L130-L138 HydrophobicContact CG-CD1 4.24Å; L130-L138 WeakPolarHBondContact O-CB 3.19Å; L130-L138 PolarHBondContact O-N 3.03Å; L130-F139 HydrophobicContact CB-CD1 3.66Å; L130-F139 HydrophobicContact CB-CD2 4.23Å; L130-F139 HydrophobicContact CB-CE1 3.33Å; L130-F139 HydrophobicContact CB-CE2 3.92Å; L130-F139 HydrophobicContact CB-CG 4.11Å; L130-F139 HydrophobicContact CB-CZ 3.47Å; L130-F139 VanDerWaalsContact CB-CZ 3.47Å; L130-F139 HydrophobicContact CD2-CD1 4Å; L130-F139 HydrophobicContact CD2-CE1 3.54Å; L130-F139 HydrophobicContact CD2-CZ 4.34Å; L130-F139 HydrophobicContact CG-CD1 4.47Å; L130-F139 HydrophobicContact CG-CE1 4.01Å; L130-F139 HydrophobicContact CG-CZ 4.41Å; L130-F139 PolarHBondContact N-O 2.91Å; L130-F139 PolarHBondContact O-N 3.02Å
131	T	98.6	Very high	97.9	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.5	-174	55.2	0	0	0	0	112.2	S70 T71 K136 D137	S70-T131 CarbonylContact C-O 3.6Å; S70-T131 WeakPolarHBondContact CA-O 3.37Å; T71-T131 PolarHBondContact N-O 2.85Å; T71-T131 PolarHBondContact O-N 2.74Å; T71-T131 PolarHBondContact O-OG1 2.93Å; T131-K136 CarbonylContact C-O 3.5Å; T131-K136 VanDerWaalsContact CA-O 3.29Å; T131-K136 WeakPolarHBondContact CA-O 3.13Å; T131-D137 VanDerWaalsContact CG2-OD1 3.28Å; T131-D137 WeakPolarHBondContact CG2-OD1 3.37Å
132	D	98.2	Very high	98	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.059	21%	0.214	C	C	.	.			trans	-85.4	-170.9	174.4	67.6	20.6	0	0	0	113.2	S31 V65 G134 N135 K136 L138	S31-D132 VanDerWaalsContact CB-OD2 3.24Å; S31-D132 WeakPolarHBondContact CB-OD2 3.27Å; S31-D132 PolarHBondContact OG-OD2 2.97Å; V65-D132 HydrophobicContact CG2-CB 4.33Å; D132-G134 PolarHBondContact O-N 2.91Å; D132-G134 VanDerWaalsContact OD1-CA 3.29Å; D132-G134 WeakPolarHBondContact OD1-CA 3.41Å; D132-G134 PolarHBondContact OD1-N 3.03Å; D132-N135 PolarHBondContact O-N 3.17Å; D132-N135 VanDerWaalsContact O-N 3.13Å; D132-N135 PolarHBondContact OD1-N 3.26Å; D132-K136 VanDerWaalsContact CG-O 3.26Å; D132-K136 PolarHBondContact N-O 2.8Å; D132-K136 PolarHBondContact OD1-N 2.9Å; D132-L138 HydrophobicContact CB-CD1 4.32Å; D132-L138 HydrophobicContact CB-CD2 4.09Å; D132-L138 HydrophobicContact CB-CG 3.99Å
133	N	95.8	Very high	98	Very high	65 Å²	65	37.6 Å²	37.6	35%	0.348	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.2	175.9	-83.5	-7.6	0	0	0	114.4	S67 D68 K69	S67-N133 PolarHBondContact OG-N 3.01Å; S67-N133 PolarHBondContact OG-OD1 2.88Å; D68-N133 PolarHBondContact N-ND2 2.82Å; D68-N133 VanDerWaalsContact N-ND2 3.19Å; D68-N133 PolarHBondContact OD2-ND2 3.47Å; K69-N133 WeakPolarHBondContact CG-OD1 3.44Å; K69-N133 PolarHBondContact N-OD1 2.82Å; K69-N133 VanDerWaalsContact N-OD1 3.1Å
134	G	96.1	Very high	98	Very high	52 Å²	52	33.6 Å²	33.6	54%	0.536	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	12	-177.8	0	0	0	0	0	114.1	D132 K136	D132-G134 PolarHBondContact O-N 2.91Å; D132-G134 VanDerWaalsContact OD1-CA 3.29Å; D132-G134 WeakPolarHBondContact OD1-CA 3.41Å; D132-G134 PolarHBondContact OD1-N 3.03Å; G134-K136 PolarHBondContact O-N 3.23Å
135	N	96.8	Very high	98.1	Very high	124 Å²	124	32.9 Å²	32.9	66%	0.663	18%	0.184	S	C	*	.	S	Bend	trans	58.1	32.1	-174.2	-53.4	-45.9	0	0	0	113.1	D132	D132-N135 PolarHBondContact O-N 3.17Å; D132-N135 VanDerWaalsContact O-N 3.13Å; D132-N135 PolarHBondContact OD1-N 3.26Å
136	K	98.2	Very high	98.1	Very high	123 Å²	123	33 Å²	33	54%	0.535	18%	0.181	S	C	.	.			trans	-104	146.7	171.4	-65.7	179.4	-179.2	-179.7	0	110	S31 T131 D132 G134 L138	S31-K136 WeakPolarHBondContact OG-CB 3.49Å; T131-K136 CarbonylContact C-O 3.5Å; T131-K136 VanDerWaalsContact CA-O 3.29Å; T131-K136 WeakPolarHBondContact CA-O 3.13Å; D132-K136 VanDerWaalsContact CG-O 3.26Å; D132-K136 PolarHBondContact N-O 2.8Å; D132-K136 PolarHBondContact OD1-N 2.9Å; G134-K136 PolarHBondContact O-N 3.23Å; K136-L138 PolarHBondContact O-N 3.38Å
137	D	98.6	Very high	98	Very high	24 Å²	24	33 Å²	33	13%	0.128	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.6	-173.4	-63.1	-37.6	0	0	0	112.2	G28 S29 T30 S31 L130 T131 C140	G28-D137 WeakPolarHBondContact O-CB 3.45Å; S29-D137 CarbonylContact C-O 3.59Å; T30-D137 PolarHBondContact N-O 3.48Å; T30-D137 VanDerWaalsContact N-O 3.07Å; S31-D137 WeakPolarHBondContact CA-O 3.42Å; S31-D137 PolarHBondContact N-O 2.89Å; L130-D137 CarbonylContact O-C 3.57Å; L130-D137 WeakPolarHBondContact O-CA 3.2Å; T131-D137 VanDerWaalsContact CG2-OD1 3.28Å; T131-D137 WeakPolarHBondContact CG2-OD1 3.37Å; D137-C140 HydrophobicContact CB-CB 4.24Å
138	L	98.8	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-38.7	160.4	-64.9	167.3	0	0	0	109.9	G32 F61 S63 V65 I101 L130 D132 K136	G32-L138 CarbonylContact C-O 3.51Å; G32-L138 WeakPolarHBondContact CA-O 3.49Å; F61-L138 HydrophobicContact CD2-CB 4.23Å; F61-L138 HydrophobicContact CE2-CB 3.81Å; F61-L138 HydrophobicContact CE2-CD1 4.32Å; F61-L138 HydrophobicContact CE2-CG 4.45Å; F61-L138 HydrophobicContact CZ-CB 4.48Å; F61-L138 HydrophobicContact CZ-CD1 4.49Å; S63-L138 WeakPolarHBondContact OG-CD2 3.22Å; V65-L138 HydrophobicContact CG2-CD2 3.81Å; I101-L138 HydrophobicContact CD1-CD1 3.59Å; L130-L138 HydrophobicContact CD2-CB 4.37Å; L130-L138 HydrophobicContact CD2-CD1 3.93Å; L130-L138 HydrophobicContact CG-CD1 4.24Å; L130-L138 WeakPolarHBondContact O-CB 3.19Å; L130-L138 PolarHBondContact O-N 3.03Å; D132-L138 HydrophobicContact CB-CD1 4.32Å; D132-L138 HydrophobicContact CB-CD2 4.09Å; D132-L138 HydrophobicContact CB-CG 3.99Å; K136-L138 PolarHBondContact O-N 3.38Å
139	F	98.8	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.2	162.1	66.4	-105.1	0	0	0	112.2	S29 V34 V59 F61 Y109 W128 E129 L130 I141	S29-F139 WeakPolarHBondContact OG-CA 3.41Å; V34-F139 HydrophobicContact CG2-CB 3.58Å; V59-F139 HydrophobicContact CB-CE1 4.03Å; V59-F139 HydrophobicContact CB-CE2 4.34Å; V59-F139 HydrophobicContact CB-CZ 3.93Å; V59-F139 HydrophobicContact CG1-CD1 3.94Å; V59-F139 HydrophobicContact CG1-CD2 4.11Å; V59-F139 HydrophobicContact CG1-CE1 3.94Å; V59-F139 HydrophobicContact CG1-CE2 4.14Å; V59-F139 HydrophobicContact CG1-CG 4.03Å; V59-F139 HydrophobicContact CG1-CZ 4.05Å; V59-F139 HydrophobicContact CG2-CE2 4.11Å; V59-F139 HydrophobicContact CG2-CZ 3.99Å; F61-F139 HydrophobicContact CB-CD1 4.24Å; F61-F139 AromaticContact CD1-CD1 3.63Å; F61-F139 HydrophobicContact CD1-CD1 3.63Å; F61-F139 AromaticContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD2-CD1 4.38Å; F61-F139 HydrophobicContact CE1-CD1 4.04Å; F61-F139 HydrophobicContact CE1-CE1 4.03Å; F61-F139 AromaticContact CG-CD1 3.82Å; F61-F139 HydrophobicContact CG-CD1 3.82Å; Y109-F139 HydrophobicContact CD1-CE1 4.45Å; Y109-F139 AromaticContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CE1-CZ 4.46Å; Y109-F139 HydrophobicContact CG-CE1 4.14Å; Y109-F139 HydrophobicContact CG-CZ 4Å; W128-F139 AromaticContact CD1-CE2 3.7Å; W128-F139 HydrophobicContact CG-CE2 4.39Å; E129-F139 WeakPolarHBondContact CA-O 3.48Å; L130-F139 HydrophobicContact CB-CD1 3.66Å; L130-F139 HydrophobicContact CB-CD2 4.23Å; L130-F139 HydrophobicContact CB-CE1 3.33Å; L130-F139 HydrophobicContact CB-CE2 3.92Å; L130-F139 HydrophobicContact CB-CG 4.11Å; L130-F139 HydrophobicContact CB-CZ 3.47Å; L130-F139 VanDerWaalsContact CB-CZ 3.47Å; L130-F139 HydrophobicContact CD2-CD1 4Å; L130-F139 HydrophobicContact CD2-CE1 3.54Å; L130-F139 HydrophobicContact CD2-CZ 4.34Å; L130-F139 HydrophobicContact CG-CD1 4.47Å; L130-F139 HydrophobicContact CG-CE1 4.01Å; L130-F139 HydrophobicContact CG-CZ 4.41Å; L130-F139 PolarHBondContact N-O 2.91Å; L130-F139 PolarHBondContact O-N 3.02Å; F139-I141 HydrophobicContact CD2-CG1 4.38Å; F139-I141 HydrophobicContact CE2-CG1 4.5Å
140	C	98.7	Very high	97.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119.5	166.8	-174.6	0	0	0	0	108.2	D26 C27 S29 W128 E129 D137	D26-C140 WeakPolarHBondContact CA-O 3.5Å; D26-C140 VanDerWaalsContact OD1-O 3.13Å; C27-C140 HydrophobicContact CB-CB 4.18Å; C27-C140 WeakPolarHBondContact CB-SG 3.47Å; C27-C140 PolarHBondContact N-O 2.81Å; C27-C140 WeakPolarHBondContact SG-CB 3.44Å; C27-C140 PolarHBondContact SG-O 3.15Å; C27-C140 VanDerWaalsContact SG-O 3.38Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 2.85Å; S29-C140 PolarHBondContact OG-N 3.13Å; W128-C140 WeakPolarHBondContact O-CA 3.35Å; E129-C140 HydrophobicContact CG-CB 4.25Å; D137-C140 HydrophobicContact CB-CB 4.24Å
141	I	98.7	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.9	179.1	58.3	173.3	0	0	0	112.7	Y24 I25 C27 V34 V37 V59 E127 W128 F139 F143	Y24-I141 HydrophobicContact CD2-CB 4.22Å; Y24-I141 HydrophobicContact CD2-CG2 3.65Å; Y24-I141 HydrophobicContact CE2-CG2 4.07Å; Y24-I141 HydrophobicContact CG-CG2 4.32Å; I25-I141 CarbonylContact O-C 3.6Å; I25-I141 WeakPolarHBondContact O-CA 3.44Å; C27-I141 PolarHBondContact SG-N 2.99Å; V34-I141 HydrophobicContact CB-CG2 4.4Å; V34-I141 HydrophobicContact CG1-CG2 3.97Å; V34-I141 HydrophobicContact CG2-CG2 3.75Å; V37-I141 HydrophobicContact CB-CD1 4.33Å; V37-I141 HydrophobicContact CG1-CD1 3.82Å; V37-I141 HydrophobicContact CG2-CD1 3.47Å; V37-I141 VanDerWaalsContact CG2-CD1 3.47Å; V37-I141 HydrophobicContact CG2-CG2 4.11Å; V59-I141 HydrophobicContact CG1-CD1 4.34Å; V59-I141 HydrophobicContact CG2-CD1 3.56Å; E127-I141 WeakPolarHBondContact CA-O 3.5Å; W128-I141 HydrophobicContact CB-CD1 4.38Å; W128-I141 HydrophobicContact CB-CG1 3.87Å; W128-I141 PolarHBondContact N-O 2.8Å; W128-I141 PolarHBondContact O-N 3.24Å; F139-I141 HydrophobicContact CD2-CG1 4.38Å; F139-I141 HydrophobicContact CE2-CG1 4.5Å; I141-F143 HydrophobicContact CD1-CD1 4.08Å; I141-F143 HydrophobicContact CD1-CE1 3.91Å; I141-F143 HydrophobicContact CG1-CD1 4.33Å; I141-F143 HydrophobicContact CG1-CE1 4.29Å
142	K	98.6	Very high	97.7	Very high	57 Å²	57	43.1 Å²	43.1	25%	0.248	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.9	170.5	-73.3	176.8	-174.9	-176.5	0	111.2	Y24 I25 C27 I77 V125 V126 E127	Y24-K142 CarbonylContact C-O 3.45Å; Y24-K142 VanDerWaalsContact CA-O 3.27Å; Y24-K142 WeakPolarHBondContact CA-O 3.34Å; I25-K142 HydrophobicContact CB-CB 4.35Å; I25-K142 PolarHBondContact N-O 3.03Å; I25-K142 PolarHBondContact O-N 2.93Å; C27-K142 HydrophobicContact CB-CD 3.93Å; C27-K142 HydrophobicContact CB-CG 4.12Å; I77-K142 HydrophobicContact CD1-CD 4.37Å; V125-K142 HydrophobicContact CG1-CB 3.96Å; V125-K142 HydrophobicContact CG1-CG 4.33Å; V126-K142 VanDerWaalsContact O-CA 3.22Å; V126-K142 WeakPolarHBondContact O-CA 2.95Å; E127-K142 HydrophobicContact CB-CG 4.02Å; E127-K142 HydrophobicContact CG-CG 4.27Å; E127-K142 WeakPolarHBondContact OE1-CE 3.33Å; E127-K142 IonicContact OE1-NZ 2.85Å; E127-K142 PolarHBondContact OE1-NZ 3Å; E127-K142 WeakPolarHBondContact OE2-CE 3.49Å; E127-K142 IonicContact OE2-NZ 2.89Å; E127-K142 PolarHBondContact OE2-NZ 3.32Å
143	F	97.9	Very high	97.7	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143	175.4	56.4	-91.1	0	0	0	111.9	V22 V37 I39 V126 W128 I141 V145	V22-F143 HydrophobicContact CG1-CB 4.01Å; V22-F143 HydrophobicContact CG1-CG 4.36Å; V37-F143 HydrophobicContact CG1-CD1 4.48Å; I39-F143 HydrophobicContact CD1-CD2 3.62Å; I39-F143 HydrophobicContact CD1-CE2 3.32Å; I39-F143 HydrophobicContact CD1-CG 4.46Å; I39-F143 HydrophobicContact CD1-CZ 3.96Å; V126-F143 HydrophobicContact CB-CD2 4.2Å; V126-F143 HydrophobicContact CB-CE1 4.18Å; V126-F143 HydrophobicContact CB-CE2 3.69Å; V126-F143 HydrophobicContact CB-CZ 3.7Å; V126-F143 HydrophobicContact CG1-CE1 4.09Å; V126-F143 HydrophobicContact CG1-CE2 4.15Å; V126-F143 HydrophobicContact CG1-CZ 3.66Å; V126-F143 HydrophobicContact CG2-CE2 3.93Å; V126-F143 HydrophobicContact CG2-CZ 4.29Å; V126-F143 PolarHBondContact N-O 2.74Å; V126-F143 PolarHBondContact O-N 3.49Å; W128-F143 HydrophobicContact CE3-CZ 4.4Å; I141-F143 HydrophobicContact CD1-CD1 4.08Å; I141-F143 HydrophobicContact CD1-CE1 3.91Å; I141-F143 HydrophobicContact CG1-CD1 4.33Å; I141-F143 HydrophobicContact CG1-CE1 4.29Å; F143-V145 HydrophobicContact CD2-CG1 3.72Å; F143-V145 HydrophobicContact CE2-CG1 3.7Å
144	P	97.7	Very high	97.8	Very high	66 Å²	66	43.7 Å²	43.7	43%	0.429	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139	179.7	32.1	-33.8	0	0	0	111.6	P46	P46-P144 HydrophobicContact CB-CB 4.12Å; P46-P144 HydrophobicContact CB-CG 4.15Å; P46-P144 WeakPolarHBondContact CB-O 3.48Å
145	V	97.5	Very high	97.9	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.8	170.9	-57	0	0	0	0	110.5	C47 L49 C124 V126 F143	C47-V145 HydrophobicContact CB-CG1 4.47Å; L49-V145 HydrophobicContact CD1-CB 3.88Å; L49-V145 HydrophobicContact CD1-CG1 4.07Å; L49-V145 HydrophobicContact CD1-CG2 3.97Å; L49-V145 HydrophobicContact CG-CB 4.17Å; C124-V145 PolarHBondContact N-O 3.28Å; C124-V145 PolarHBondContact O-N 3.14Å; C124-V145 VanDerWaalsContact O-O 3.09Å; C124-V145 WeakPolarHBondContact SG-CG2 3.38Å; V126-V145 HydrophobicContact CG2-CG1 4.16Å; V126-V145 HydrophobicContact CG2-CG2 3.79Å; F143-V145 HydrophobicContact CD2-CG1 3.72Å; F143-V145 HydrophobicContact CE2-CG1 3.7Å
146	Q	97.8	Very high	98	Very high	53 Å²	53	37.4 Å²	37.4	25%	0.248	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.9	172.3	-175	175.7	-10.6	0	0	109.8	C47 Q48 L49 I122 K123 V148	C47-Q146 PolarHBondContact O-N 3.29Å; Q48-Q146 CarbonylContact C-O 3.48Å; Q48-Q146 WeakPolarHBondContact CA-O 3.43Å; L49-Q146 PolarHBondContact N-O 2.75Å; I122-Q146 CarbonylContact O-C 3.59Å; I122-Q146 WeakPolarHBondContact O-CA 3.47Å; K123-Q146 HydrophobicContact CG-CB 4.22Å; K123-Q146 HydrophobicContact CG-CG 3.88Å; Q146-V148 HydrophobicContact CG-CG1 3.9Å
147	I	97.5	Very high	97.9	Very high	22 Å²	22	30.8 Å²	30.8	11%	0.113	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.8	171.3	-57.6	177	0	0	0	108.3	L49 K51 V115 P120 S121 I122	L49-I147 WeakPolarHBondContact O-CA 3.48Å; K51-I147 HydrophobicContact CG-CG2 4.1Å; V115-I147 HydrophobicContact CG1-CG2 4.02Å; P120-I147 WeakPolarHBondContact O-CB 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.33Å; S121-I147 CarbonylContact C-O 3.46Å; S121-I147 VanDerWaalsContact CA-O 3.22Å; S121-I147 WeakPolarHBondContact CA-O 3.38Å; S121-I147 WeakPolarHBondContact CB-O 3.43Å; I122-I147 PolarHBondContact N-O 2.9Å; I122-I147 VanDerWaalsContact N-O 3.17Å; I122-I147 PolarHBondContact O-N 3.47Å
148	V	97.8	Very high	97.9	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	167.1	-179.7	-62.1	0	0	0	0	109.8	Q48 L49 H50 K51 Q146	Q48-V148 HydrophobicContact CB-CG2 4.15Å; Q48-V148 HydrophobicContact CG-CG1 4.49Å; L49-V148 PolarHBondContact O-N 2.84Å; H50-V148 HydrophobicContact CB-CG2 4.38Å; H50-V148 WeakPolarHBondContact ND1-CG2 3.12Å; K51-V148 WeakPolarHBondContact CG-O 3.26Å; K51-V148 PolarHBondContact N-O 3.1Å; Q146-V148 HydrophobicContact CG-CG1 3.9Å
149	N	95.1	Very high	97.8	Very high	144 Å²	144	34.2 Å²	34.2	77%	0.77	18%	0.182	S	C	*	.			trans	-70.8	0	176.2	-68.7	-32.1	0	0	0	111.8	H50 K51 S121	H50-N149 PolarHBondContact ND1-O 3.4Å; K51-N149 WeakPolarHBondContact CE-OD1 3.24Å; K51-N149 PolarHBondContact NZ-OD1 2.97Å; S121-N149 PolarHBondContact OG-OD1 2.93Å

Retrieved 149 of 149 residues in 152.4 ms (Link to these results)

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