A0A096NSC1_PAPAN Loading...

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. The secreted form of NCP2 regulates biliary cholesterol secretion via stimulation of ABCG5/ABCG8-mediated cholesterol transport.

AlphaFold DB (G7PAU7), UniProt , Accession A0A096NSC1, Species PAPAN (Papio anubis, Olive baboon), Gene NPC2, Length 201 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	51.3	Low	52	Low	223 Å²	223	153.3 Å²	153.3	100%	1.099	79%	0.785	S	S	*	*				0	9.7	0	-67.5	173.3	-162.4	0	0	114.6
2	R	54.2	Low	52.5	Low	236 Å²	236	147.9 Å²	147.9	89%	0.891	78%	0.781	S	S	*	*			trans	-95.2	-4.4	179.6	-72.9	-177.1	161.6	-178	-6.2	115.3
3	F	49.6	Very low	52.7	Low	190 Å²	190	148.8 Å²	148.8	83%	0.833	79%	0.785	S	S	*	*	S	Bend	trans	-102.1	1	-176.8	-69.3	-76.3	0	0	0	114.5
4	L	52.2	Low	53	Low	136 Å²	136	146.1 Å²	146.1	71%	0.712	79%	0.785	S	S	*	*	S	Bend	trans	-97.4	-8.5	-178	-63.4	174.9	0	0	0	113.7
5	A	52.4	Low	53.1	Low	73 Å²	73	145.8 Å²	145.8	60%	0.603	79%	0.79	S	S	*	*	S	Bend	trans	-89	-19.7	-179	0	0	0	0	0	113.3
6	A	50.9	Low	53.3	Low	77 Å²	77	141 Å²	141	64%	0.636	78%	0.776	S	S	*	*	S	Bend	trans	-84.3	-14.5	-174.6	0	0	0	0	0	113.9
7	T	51.3	Low	53.7	Low	101 Å²	101	137.5 Å²	137.5	62%	0.62	77%	0.77	S	S	*	*	S	Bend	trans	-94.5	-12.9	-176.9	46.8	0	0	0	0	114.1
8	F	49.4	Very low	54	Low	190 Å²	190	137.8 Å²	137.8	83%	0.833	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	-176.7	-114.8	-85.4	0	0	0	114.8
9	L	50.8	Low	54.6	Low	154 Å²	154	133.5 Å²	133.5	81%	0.806	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	5	-175.7	-104	132	0	0	0	114.7
10	L	55.6	Low	55.8	Low	136 Å²	136	131.1 Å²	131.1	71%	0.712	73%	0.731	S	S	*	*	S	Bend	trans	-111.6	6.5	-171.4	-83.7	165	0	0	0	116.6
11	L	54.5	Low	57.5	Low	170 Å²	170	128.2 Å²	128.2	89%	0.89	72%	0.718	S	S	*	*			trans	-121.4	69.9	175.7	-90	93.4	0	0	0	112.8
12	A	57.5	Low	59.6	Low	89 Å²	89	118 Å²	118	74%	0.736	67%	0.668	S	S	*	*			trans	-129.9	50.7	157.5	0	0	0	0	0	109.6	S14	A12-S14 PolarHBondContact O-N 2.81Å
13	L	55.9	Low	61.6	Low	160 Å²	160	114 Å²	114	84%	0.838	66%	0.66	S	S	*	*			trans	-70.9	88.3	159.9	-89.8	82.4	0	0	0	106.8	T15	L13-T15 PolarHBondContact O-N 2.89Å
14	S	56	Low	63.9	Low	111 Å²	111	108.2 Å²	108.2	78%	0.776	64%	0.635	S	S	*	*			trans	-57.4	118.3	163.5	23.4	0	0	0	0	106.9	A12 A16	A12-S14 PolarHBondContact O-N 2.81Å; S14-A16 PolarHBondContact O-N 2.98Å
15	T	54.7	Low	66.1	Low	141 Å²	141	107.9 Å²	107.9	87%	0.865	63%	0.627	S	S	*	*			trans	-64.2	92	172.2	49.7	0	0	0	0	107.5	L13 A17	L13-T15 PolarHBondContact O-N 2.89Å; T15-A17 PolarHBondContact O-N 2.8Å; T15-A17 VanDerWaalsContact O-N 3.1Å
16	A	56.7	Low	68.3	Low	69 Å²	69	108.1 Å²	108.1	57%	0.57	62%	0.618	S	S	*	*			trans	-61.5	113.5	167.4	0	0	0	0	0	106.6	S14 Q18	S14-A16 PolarHBondContact O-N 2.98Å; A16-Q18 PolarHBondContact O-N 3.13Å
17	A	59.5	Low	70.5	Confident	82 Å²	82	106.3 Å²	106.3	68%	0.678	60%	0.601	S	S	*	*			trans	-58.9	103.4	168.9	0	0	0	0	0	106.9	T15 A19	T15-A17 PolarHBondContact O-N 2.8Å; T15-A17 VanDerWaalsContact O-N 3.1Å; A17-A19 PolarHBondContact O-N 2.99Å
18	Q	58.9	Low	72.7	Confident	142 Å²	142	103.1 Å²	103.1	66%	0.664	59%	0.588	S	S	*	*			trans	-65.1	134.6	176.2	-63.2	-68.1	-69.6	0	0	107.4	A16 E20	A16-Q18 PolarHBondContact O-N 3.13Å; Q18-E20 PolarHBondContact O-N 3.17Å
19	A	65.1	Low	74.9	Confident	57 Å²	57	95 Å²	95	47%	0.471	56%	0.555	S	S	.	*			trans	-71.8	124.8	164.8	0	0	0	0	0	106.9	A17 N38	A17-A19 PolarHBondContact O-N 2.99Å; A19-N38 HydrophobicContact CB-CB 4.39Å
20	E	79	Confident	77.1	Confident	85 Å²	85	91.9 Å²	91.9	40%	0.397	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134	-177.4	-73.5	178.8	160.5	0	0	110.2	Q18 V22 N38 C42 P43	Q18-E20 PolarHBondContact O-N 3.17Å; E20-V22 PolarHBondContact O-N 2.77Å; E20-N38 VanDerWaalsContact C-OD1 3.3Å; E20-N38 PolarHBondContact O-OD1 2.82Å; E20-C42 VanDerWaalsContact OE2-O 3.13Å; E20-P43 VanDerWaalsContact OE2-CA 3.23Å; E20-P43 WeakPolarHBondContact OE2-CA 3.26Å
21	P	92.4	Very high	79.1	Confident	70 Å²	70	86.3 Å²	86.3	46%	0.455	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.7	175.2	-20.6	32.6	0	0	0	110.4	E36 V37 N38 Q45	P21-E36 HydrophobicContact CB-CG 4.12Å; P21-E36 HydrophobicContact CG-CG 4.44Å; P21-E36 WeakPolarHBondContact CG-OE1 3.3Å; P21-V37 CarbonylContact C-O 3.56Å; P21-V37 WeakPolarHBondContact CA-O 3.44Å; P21-N38 VanDerWaalsContact CA-OD1 3.25Å; P21-N38 WeakPolarHBondContact CA-OD1 3.25Å; P21-N38 WeakPolarHBondContact CG-OD1 3.44Å; P21-N38 VanDerWaalsContact N-OD1 3.11Å; P21-Q45 PolarHBondContact O-NE2 3.35Å
22	V	95.5	Very high	81.1	Confident	8 Å²	8	78.3 Å²	78.3	5%	0.048	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-99.5	146.4	177.1	-60.7	0	0	0	0	111.3	E20 V37 V39 Q45 I143	E20-V22 PolarHBondContact O-N 2.77Å; V22-V37 HydrophobicContact CG2-CB 3.89Å; V22-V37 HydrophobicContact CG2-CG1 3.6Å; V22-V37 WeakPolarHBondContact CG2-O 3.06Å; V22-V37 PolarHBondContact N-O 3.42Å; V22-V39 HydrophobicContact CG1-CB 4.02Å; V22-V39 HydrophobicContact CG1-CG2 4.11Å; V22-V39 HydrophobicContact CG2-CG2 3.97Å; V22-Q45 HydrophobicContact CG1-CG 4.46Å; V22-I143 HydrophobicContact CG2-CD1 4.49Å; V22-I143 HydrophobicContact CG2-CG2 4.21Å
23	Q	96.4	Very high	83.1	Confident	154 Å²	154	77.1 Å²	77.1	72%	0.72	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-74.2	129.3	170	-63.1	-63.8	-27.1	0	0	108.4
24	F	97.7	Very high	85.1	Confident	68 Å²	68	70.3 Å²	70.3	30%	0.298	42%	0.419	S	S	.	.			trans	-133.2	157.7	-177.7	68.9	-88.2	0	0	0	111.1	I34 V37 W141 E142 I143	F24-I34 HydrophobicContact CD2-CD1 4.23Å; F24-I34 HydrophobicContact CE1-CG2 3.92Å; F24-I34 HydrophobicContact CE2-CB 3.99Å; F24-I34 HydrophobicContact CE2-CD1 3.72Å; F24-I34 HydrophobicContact CE2-CG1 4.47Å; F24-I34 HydrophobicContact CE2-CG2 3.84Å; F24-I34 HydrophobicContact CZ-CB 3.82Å; F24-I34 HydrophobicContact CZ-CD1 4.38Å; F24-I34 HydrophobicContact CZ-CG2 3.38Å; F24-V37 HydrophobicContact CB-CG2 4.42Å; F24-V37 HydrophobicContact CD1-CB 3.96Å; F24-V37 HydrophobicContact CD1-CG2 3.58Å; F24-V37 HydrophobicContact CD2-CG2 4.4Å; F24-V37 HydrophobicContact CE1-CB 4.47Å; F24-V37 HydrophobicContact CE1-CG2 3.88Å; F24-V37 HydrophobicContact CG-CB 4.49Å; F24-V37 HydrophobicContact CG-CG2 3.87Å; F24-V37 HydrophobicContact CZ-CG2 4.42Å; F24-W141 HydrophobicContact CB-CB 4.16Å; F24-W141 HydrophobicContact CD2-CB 3.73Å; F24-W141 HydrophobicContact CG-CB 4.2Å; F24-E142 WeakPolarHBondContact CA-O 2.94Å; F24-I143 HydrophobicContact CB-CG2 3.63Å
25	K	98.2	Very high	87.1	Confident	128 Å²	128	70.9 Å²	70.9	56%	0.557	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.9	170.3	172.1	-179	162.4	-131.7	0	108.4	W141 E142	K25-W141 CarbonylContact O-C 3.53Å; K25-W141 WeakPolarHBondContact O-CA 3.47Å; K25-E142 HydrophobicContact CB-CB 4.27Å; K25-E142 PolarHBondContact N-O 3.38Å; K25-E142 IonicContact NZ-OE1 2.76Å; K25-E142 IonicContact NZ-OE2 3.74Å; K25-E142 PolarHBondContact NZ-OE2 3.2Å; K25-E142 PolarHBondContact O-N 2.8Å
26	D	98.1	Very high	89.1	Confident	78 Å²	78	67.7 Å²	67.7	42%	0.417	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.8	171.4	-165.1	-44.5	0	0	0	109.7	G28 S29 C140	D26-G28 PolarHBondContact OD1-N 2.69Å; D26-S29 VanDerWaalsContact CG-OG 3.26Å; D26-S29 PolarHBondContact OD1-N 2.9Å; D26-S29 PolarHBondContact OD1-OG 3.19Å; D26-S29 VanDerWaalsContact OD1-OG 3.13Å; D26-S29 VanDerWaalsContact OD2-CB 3.23Å; D26-S29 WeakPolarHBondContact OD2-CB 3.23Å; D26-S29 PolarHBondContact OD2-OG 2.86Å; D26-C140 WeakPolarHBondContact CA-O 3.41Å
27	C	97.1	Very high	91.1	Very high	40 Å²	40	64.4 Å²	64.4	27%	0.27	36%	0.356	S	S	.	.	S	Bend	trans	-110.5	4.8	-178.7	49.3	0	0	0	0	114.3	C140 W141 E142	C27-C140 VanDerWaalsContact C-SG 3.51Å; C27-C140 HydrophobicContact CB-CB 4.18Å; C27-C140 WeakPolarHBondContact CB-SG 3.3Å; C27-C140 PolarHBondContact N-O 2.82Å; C27-C140 VanDerWaalsContact N-O 3.15Å; C27-C140 VanDerWaalsContact SG-CA 3.6Å; C27-C140 WeakPolarHBondContact SG-CB 3.46Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 3.41Å; C27-W141 VanDerWaalsContact SG-C 3.58Å; C27-W141 PolarHBondContact SG-N 2.82Å; C27-E142 HydrophobicContact CB-CG 3.98Å
28	G	96.6	Very high	92.9	Very high	33 Å²	33	61.1 Å²	61.1	34%	0.34	33%	0.327	S	S	.	.			trans	138	49.9	179.6	0	0	0	0	0	114.6	D26 V30 S137	D26-G28 PolarHBondContact OD1-N 2.69Å; G28-V30 VanDerWaalsContact C-N 3.31Å; G28-V30 PolarHBondContact O-N 3.38Å; G28-S137 VanDerWaalsContact O-CB 3.3Å; G28-S137 WeakPolarHBondContact O-CB 3.46Å
29	S	96.6	Very high	94.6	Very high	20 Å²	20	54.7 Å²	54.7	14%	0.14	30%	0.297	C	S	.	.			trans	-73.1	80.5	170.5	-50.1	0	0	0	0	111.2	D26 G32 F139 C140	D26-S29 VanDerWaalsContact CG-OG 3.26Å; D26-S29 PolarHBondContact OD1-N 2.9Å; D26-S29 PolarHBondContact OD1-OG 3.19Å; D26-S29 VanDerWaalsContact OD1-OG 3.13Å; D26-S29 VanDerWaalsContact OD2-CB 3.23Å; D26-S29 WeakPolarHBondContact OD2-CB 3.23Å; D26-S29 PolarHBondContact OD2-OG 2.86Å; S29-G32 WeakPolarHBondContact CB-O 3.39Å; S29-F139 WeakPolarHBondContact OG-CA 3.08Å; S29-C140 PolarHBondContact OG-N 3.27Å; S29-C140 PolarHBondContact OG-O 3.49Å
30	V	96.8	Very high	96	Very high	88 Å²	88	53.2 Å²	53.2	53%	0.533	28%	0.283	S	S	.	.			trans	-76.5	-38.3	-177	-66.5	0	0	0	0	112.8	G28 Q136 S137	G28-V30 VanDerWaalsContact C-N 3.31Å; G28-V30 PolarHBondContact O-N 3.38Å; V30-Q136 HydrophobicContact CG2-CB 4.01Å; V30-S137 PolarHBondContact N-O 2.72Å
31	D	97.4	Very high	96.7	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.107	29%	0.285	C	S	.	.	S	Bend	trans	-108.2	10.8	-169	-81.1	-25.3	0	0	0	113.5	N64 I65 Q136 S137 L138	D31-N64 WeakPolarHBondContact O-CB 3.21Å; D31-N64 PolarHBondContact O-N 2.79Å; D31-I65 HydrophobicContact CB-CG1 3.67Å; D31-I65 HydrophobicContact CB-CG2 4.38Å; D31-Q136 WeakPolarHBondContact OD2-CB 3.47Å; D31-Q136 PolarHBondContact OD2-NE2 2.81Å; D31-S137 PolarHBondContact N-O 3.47Å; D31-L138 HydrophobicContact CB-CD2 4.2Å
32	G	97.4	Very high	96.7	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	178.2	175.9	0	0	0	0	0	112.4	S29 T62 L138	S29-G32 WeakPolarHBondContact CB-O 3.39Å; G32-T62 CarbonylContact C-O 3.58Å; G32-T62 WeakPolarHBondContact CA-O 3.11Å; G32-L138 CarbonylContact C-O 3.39Å; G32-L138 WeakPolarHBondContact CA-O 3.05Å; G32-L138 PolarHBondContact N-O 3.34Å
33	V	98.3	Very high	96.3	Very high	64 Å²	64	54 Å²	54	39%	0.388	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.8	-176.4	-176.9	0	0	0	0	109.4	K35 F61 T62	V33-K35 PolarHBondContact O-N 2.73Å; V33-F61 CarbonylContact O-C 3.56Å; V33-F61 VanDerWaalsContact O-CA 3.28Å; V33-F61 WeakPolarHBondContact O-CA 3.4Å; V33-T62 PolarHBondContact N-O 3Å; V33-T62 PolarHBondContact O-N 3.05Å
34	I	98.5	Very high	96	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131	173.6	-56.7	168.2	0	0	0	108.8	F24 V37 V59 F139 W141	F24-I34 HydrophobicContact CD2-CD1 4.23Å; F24-I34 HydrophobicContact CE1-CG2 3.92Å; F24-I34 HydrophobicContact CE2-CB 3.99Å; F24-I34 HydrophobicContact CE2-CD1 3.72Å; F24-I34 HydrophobicContact CE2-CG1 4.47Å; F24-I34 HydrophobicContact CE2-CG2 3.84Å; F24-I34 HydrophobicContact CZ-CB 3.82Å; F24-I34 HydrophobicContact CZ-CD1 4.38Å; F24-I34 HydrophobicContact CZ-CG2 3.38Å; I34-V37 HydrophobicContact CG2-CG2 3.78Å; I34-V59 HydrophobicContact CG2-CG1 4.35Å; I34-F139 HydrophobicContact CD1-CB 3.95Å; I34-F139 HydrophobicContact CG1-CB 3.54Å; I34-F139 HydrophobicContact CG1-CG 4.38Å; I34-W141 HydrophobicContact CD1-CB 3.86Å; I34-W141 HydrophobicContact CD1-CG 4.28Å
35	K	98	Very high	95.8	Very high	123 Å²	123	51.5 Å²	51.5	54%	0.535	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-41.5	172.6	-57.2	-56.8	-179.2	-176.2	0	111	V33 T60 T62	V33-K35 PolarHBondContact O-N 2.73Å; K35-T60 WeakPolarHBondContact CA-O 3.46Å; K35-T60 HydrophobicContact CB-CG2 4.11Å; K35-T60 WeakPolarHBondContact CB-O 3.48Å; K35-T60 HydrophobicContact CG-CG2 4.49Å; K35-T60 PolarHBondContact N-O 3.14Å; K35-T62 WeakPolarHBondContact CE-OG1 3.3Å
36	E	97.5	Very high	95.6	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	144.2	-176.3	-166.2	177	-133.9	0	0	110.7	P21 N38 V59 T60	P21-E36 HydrophobicContact CB-CG 4.12Å; P21-E36 HydrophobicContact CG-CG 4.44Å; P21-E36 WeakPolarHBondContact CG-OE1 3.3Å; E36-N38 WeakPolarHBondContact CG-ND2 3.28Å; E36-N38 PolarHBondContact OE2-ND2 2.77Å; E36-V59 WeakPolarHBondContact O-CA 3.28Å; E36-T60 PolarHBondContact N-O 2.61Å; E36-T60 VanDerWaalsContact N-O 3.15Å; E36-T60 PolarHBondContact O-N 3.42Å
37	V	97.8	Very high	95.4	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.8	168.4	-177.1	0	0	0	0	107.1	P21 V22 F24 I34 V59 W141	P21-V37 CarbonylContact C-O 3.56Å; P21-V37 WeakPolarHBondContact CA-O 3.44Å; V22-V37 HydrophobicContact CG2-CB 3.89Å; V22-V37 HydrophobicContact CG2-CG1 3.6Å; V22-V37 WeakPolarHBondContact CG2-O 3.06Å; V22-V37 PolarHBondContact N-O 3.42Å; F24-V37 HydrophobicContact CB-CG2 4.42Å; F24-V37 HydrophobicContact CD1-CB 3.96Å; F24-V37 HydrophobicContact CD1-CG2 3.58Å; F24-V37 HydrophobicContact CD2-CG2 4.4Å; F24-V37 HydrophobicContact CE1-CB 4.47Å; F24-V37 HydrophobicContact CE1-CG2 3.88Å; F24-V37 HydrophobicContact CG-CB 4.49Å; F24-V37 HydrophobicContact CG-CG2 3.87Å; F24-V37 HydrophobicContact CZ-CG2 4.42Å; I34-V37 HydrophobicContact CG2-CG2 3.78Å; V37-V59 HydrophobicContact CG1-CG2 4.42Å; V37-V59 HydrophobicContact CG2-CG1 4.33Å; V37-W141 HydrophobicContact CG1-CD2 4.28Å; V37-W141 HydrophobicContact CG1-CZ2 4.18Å; V37-W141 HydrophobicContact CG2-CD2 4.4Å; V37-W141 HydrophobicContact CG2-CG 4.04Å
38	N	96.8	Very high	95.3	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.064	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.2	177.6	-69.2	-74	0	0	0	109.4	A19 E20 P21 E36 V57 N58	A19-N38 HydrophobicContact CB-CB 4.39Å; E20-N38 VanDerWaalsContact C-OD1 3.3Å; E20-N38 PolarHBondContact O-OD1 2.82Å; P21-N38 VanDerWaalsContact CA-OD1 3.25Å; P21-N38 WeakPolarHBondContact CA-OD1 3.25Å; P21-N38 WeakPolarHBondContact CG-OD1 3.44Å; P21-N38 VanDerWaalsContact N-OD1 3.11Å; E36-N38 WeakPolarHBondContact CG-ND2 3.28Å; E36-N38 PolarHBondContact OE2-ND2 2.77Å; N38-V57 WeakPolarHBondContact O-CA 3.33Å; N38-N58 HydrophobicContact CB-CB 4.2Å; N38-N58 PolarHBondContact N-O 3.46Å; N38-N58 PolarHBondContact O-N 3.28Å
39	V	95.5	Very high	95.2	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.8	174.5	-177.9	0	0	0	0	108.1	V22 C42 S56 V57 I143	V22-V39 HydrophobicContact CG1-CB 4.02Å; V22-V39 HydrophobicContact CG1-CG2 4.11Å; V22-V39 HydrophobicContact CG2-CG2 3.97Å; V39-C42 HydrophobicContact CB-CB 4.22Å; V39-C42 HydrophobicContact CG1-CB 4.26Å; V39-C42 WeakPolarHBondContact O-CB 3.44Å; V39-C42 PolarHBondContact O-N 3.02Å; V39-S56 CarbonylContact C-O 3.51Å; V39-S56 WeakPolarHBondContact CA-O 3.47Å; V39-V57 HydrophobicContact CG2-CG2 4.45Å; V39-I143 HydrophobicContact CG2-CD1 4.06Å
40	S	94	Very high	95.1	Very high	26 Å²	26	47.7 Å²	47.7	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.1	-176.9	-173	0	0	0	0	111.9	Y55 S56	S40-Y55 WeakPolarHBondContact O-CA 3.3Å; S40-S56 PolarHBondContact N-O 2.99Å; S40-S56 PolarHBondContact O-N 3.21Å
41	P	93.3	Very high	94.9	Very high	67 Å²	67	44 Å²	44	44%	0.435	24%	0.243	S	C	.	.	S	Bend	cis	-78.2	138.5	-6.4	29.5	-33	0	0	0	112.8	Y55	P41-Y55 HydrophobicContact CG-CD1 4.1Å; P41-Y55 HydrophobicContact CG-CE1 3.79Å; P41-Y55 WeakPolarHBondContact O-CD1 3.47Å; P41-Y55 WeakPolarHBondContact O-CE1 3.37Å
42	C	92.3	Very high	94.7	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.047	26%	0.262	C	S	.	.			trans	-149.9	76.3	168.4	-179.8	0	0	0	0	111.6	E20 V39 T44 C47	E20-C42 VanDerWaalsContact OE2-O 3.13Å; V39-C42 HydrophobicContact CB-CB 4.22Å; V39-C42 HydrophobicContact CG1-CB 4.26Å; V39-C42 WeakPolarHBondContact O-CB 3.44Å; V39-C42 PolarHBondContact O-N 3.02Å; C42-T44 PolarHBondContact O-N 2.82Å; C42-T44 PolarHBondContact SG-O 3.29Å; C42-C47 HydrophobicContact CB-CB 4Å; C42-C47 WeakPolarHBondContact CB-SG 3.12Å; C42-C47 WeakPolarHBondContact SG-CA 3.29Å; C42-C47 WeakPolarHBondContact SG-CB 3.13Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.76Å
43	P	89.1	Confident	94.4	Very high	105 Å²	105	50.2 Å²	50.2	68%	0.682	28%	0.284	S	S	*	.	S	Bend	trans	-68.7	-19.9	-175.1	28.5	-36.3	0	0	0	114.7	E20	E20-P43 VanDerWaalsContact OE2-CA 3.23Å; E20-P43 WeakPolarHBondContact OE2-CA 3.26Å
44	T	89.6	Confident	94.2	Very high	75 Å²	75	49.6 Å²	49.6	46%	0.46	28%	0.282	S	S	.	.	S	Bend	trans	-142.1	138	-176.7	60.1	0	0	0	0	109.5	C42 P46	C42-T44 PolarHBondContact O-N 2.82Å; C42-T44 PolarHBondContact SG-O 3.29Å; T44-P46 CarbonylContact O-C 3.58Å
45	Q	92.4	Very high	93.9	Very high	95 Å²	95	49.7 Å²	49.7	44%	0.444	28%	0.282	S	S	.	.	S	Bend	trans	-102.9	138.2	176.7	-65.9	177.1	56.3	0	0	110.6	P21 V22	P21-Q45 PolarHBondContact O-NE2 3.35Å; V22-Q45 HydrophobicContact CG1-CG 4.46Å
46	P	94.6	Very high	93.8	Very high	61 Å²	61	46.5 Å²	46.5	40%	0.396	28%	0.275	S	S	.	.	S	Bend	cis	-66.8	144.4	0	28.7	-35.3	0	0	0	112.7	T44 Q48 P144	T44-P46 CarbonylContact O-C 3.58Å; P46-Q48 PolarHBondContact O-N 3.14Å; P46-P144 HydrophobicContact CB-CB 4.18Å; P46-P144 HydrophobicContact CB-CG 4.22Å; P46-P144 VanDerWaalsContact CB-O 3.25Å; P46-P144 WeakPolarHBondContact CB-O 3.27Å
47	C	94.3	Very high	93.7	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.2	-174.8	-62.5	0	0	0	0	111.4	C42 L49 V145 Q146	C42-C47 HydrophobicContact CB-CB 4Å; C42-C47 WeakPolarHBondContact CB-SG 3.12Å; C42-C47 WeakPolarHBondContact SG-CA 3.29Å; C42-C47 WeakPolarHBondContact SG-CB 3.13Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.76Å; C47-L49 HydrophobicContact CB-CD2 4.12Å; C47-L49 PolarHBondContact O-N 3.24Å; C47-V145 HydrophobicContact CB-CG1 4.37Å; C47-Q146 PolarHBondContact O-N 3.45Å
48	Q	94.3	Very high	93.7	Very high	104 Å²	104	45.6 Å²	45.6	49%	0.486	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	96.5	176	-65.8	-174.3	45.7	0	0	110	P46 S50 Y55 Q146 V148	P46-Q48 PolarHBondContact O-N 3.14Å; Q48-S50 PolarHBondContact O-N 2.04Å; Q48-Y55 PolarHBondContact O-OH 2.78Å; Q48-Q146 CarbonylContact C-O 3.59Å; Q48-Q146 WeakPolarHBondContact CA-O 3.42Å; Q48-V148 HydrophobicContact CB-CG1 4.33Å; Q48-V148 HydrophobicContact CB-CG2 4.15Å; Q48-V148 HydrophobicContact CG-CG1 4.45Å
49	L	94.2	Very high	93.7	Very high	25 Å²	25	45 Å²	45	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	99.3	-178.2	-56.8	-172.3	0	0	0	110.1	C47 Y55 V115 V145 Q146 I147 V148	C47-L49 HydrophobicContact CB-CD2 4.12Å; C47-L49 PolarHBondContact O-N 3.24Å; L49-Y55 HydrophobicContact CB-CE2 4.15Å; L49-Y55 HydrophobicContact CD2-CD1 3.55Å; L49-Y55 HydrophobicContact CD2-CD2 3.9Å; L49-Y55 HydrophobicContact CD2-CE1 3.58Å; L49-Y55 HydrophobicContact CD2-CE2 3.96Å; L49-Y55 HydrophobicContact CD2-CG 3.73Å; L49-V115 HydrophobicContact CB-CG2 4.08Å; L49-V115 HydrophobicContact CD1-CG2 4.49Å; L49-V145 HydrophobicContact CD1-CB 4.13Å; L49-V145 HydrophobicContact CD1-CG1 4.28Å; L49-V145 HydrophobicContact CD1-CG2 4.22Å; L49-V145 HydrophobicContact CG-CB 4.35Å; L49-Q146 PolarHBondContact N-O 3.2Å; L49-I147 WeakPolarHBondContact O-CA 3.37Å; L49-V148 PolarHBondContact O-N 2.94Å
50	S	94.2	Very high	93.9	Very high	26 Å²	26	46 Å²	46	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.7	175.6	-67.9	0	0	0	0	112.1	Q48 Q53 Y55 V148	Q48-S50 PolarHBondContact O-N 2.04Å; S50-Q53 WeakPolarHBondContact O-CB 3.34Å; S50-Q53 PolarHBondContact O-N 2.98Å; S50-Y55 PolarHBondContact N-OH 3.15Å; S50-V148 WeakPolarHBondContact CA-O 3.4Å
51	K	94.3	Very high	94.1	Very high	11 Å²	11	44.7 Å²	44.7	5%	0.048	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	147.9	174.5	-55.2	173.4	-163.2	-173.8	0	112.1	Q53 V115 Y119 S121 I147 V148 F149 P150	K51-Q53 PolarHBondContact O-N 2.93Å; K51-V115 HydrophobicContact CG-CG1 4.41Å; K51-Y119 WeakPolarHBondContact CD-O 3.43Å; K51-Y119 WeakPolarHBondContact CE-O 3.42Å; K51-Y119 PolarHBondContact NZ-O 2.85Å; K51-S121 WeakPolarHBondContact CE-OG 3.24Å; K51-S121 PolarHBondContact NZ-OG 2.93Å; K51-I147 HydrophobicContact CD-CG2 4.4Å; K51-I147 HydrophobicContact CG-CG2 3.73Å; K51-V148 WeakPolarHBondContact CG-O 3.38Å; K51-V148 PolarHBondContact N-O 3.35Å; K51-F149 HydrophobicContact CD-CD1 4.01Å; K51-F149 HydrophobicContact CD-CE1 4.04Å; K51-F149 VanDerWaalsContact NZ-CE1 3.34Å; K51-P150 WeakPolarHBondContact O-CG 3.37Å
52	G	91.9	Very high	94.3	Very high	49 Å²	49	42.4 Å²	42.4	51%	0.505	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-2.4	-175.6	0	0	0	0	0	114.3	V115	G52-V115 WeakPolarHBondContact CA-O 3.37Å; G52-V115 PolarHBondContact N-O 3.16Å
53	Q	92.1	Very high	94.6	Very high	103 Å²	103	42 Å²	42	48%	0.481	25%	0.249	S	C	.	.			trans	-100.2	160.6	177.6	-63.3	-65.3	-34.6	0	0	111.3	S50 K51 Y55 V115	S50-Q53 WeakPolarHBondContact O-CB 3.34Å; S50-Q53 PolarHBondContact O-N 2.98Å; K51-Q53 PolarHBondContact O-N 2.93Å; Q53-Y55 HydrophobicContact CB-CE2 3.86Å; Q53-V115 PolarHBondContact O-N 3.23Å
54	S	93.1	Very high	95	Very high	50 Å²	50	39.8 Å²	39.8	35%	0.35	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.2	172.4	-60.9	0	0	0	0	110.5	L113	S54-L113 WeakPolarHBondContact CA-O 3.01Å
55	Y	93.6	Very high	95.4	Very high	18 Å²	18	38.1 Å²	38.1	7%	0.071	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141	177.7	-66.5	-99.5	0	0	0	109.4	S40 P41 Q48 L49 S50 Q53 K112 L113 V115	S40-Y55 WeakPolarHBondContact O-CA 3.3Å; P41-Y55 HydrophobicContact CG-CD1 4.1Å; P41-Y55 HydrophobicContact CG-CE1 3.79Å; P41-Y55 WeakPolarHBondContact O-CD1 3.47Å; P41-Y55 WeakPolarHBondContact O-CE1 3.37Å; Q48-Y55 PolarHBondContact O-OH 2.78Å; L49-Y55 HydrophobicContact CB-CE2 4.15Å; L49-Y55 HydrophobicContact CD2-CD1 3.55Å; L49-Y55 HydrophobicContact CD2-CD2 3.9Å; L49-Y55 HydrophobicContact CD2-CE1 3.58Å; L49-Y55 HydrophobicContact CD2-CE2 3.96Å; L49-Y55 HydrophobicContact CD2-CG 3.73Å; S50-Y55 PolarHBondContact N-OH 3.15Å; Q53-Y55 HydrophobicContact CB-CE2 3.86Å; Y55-K112 CarbonylContact O-C 3.56Å; Y55-K112 WeakPolarHBondContact O-CA 3.12Å; Y55-L113 PolarHBondContact N-O 3.48Å; Y55-L113 PolarHBondContact O-N 2.99Å; Y55-V115 HydrophobicContact CD2-CG2 3.71Å; Y55-V115 HydrophobicContact CE2-CG2 3.87Å
56	S	94.6	Very high	95.7	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.5	174.2	-61.2	0	0	0	0	109.3	V39 S40 N111	V39-S56 CarbonylContact C-O 3.51Å; V39-S56 WeakPolarHBondContact CA-O 3.47Å; S40-S56 PolarHBondContact N-O 2.99Å; S40-S56 PolarHBondContact O-N 3.21Å; S56-N111 CarbonylContact C-O 3.49Å; S56-N111 WeakPolarHBondContact CA-O 3.23Å
57	V	95.9	Very high	95.8	Very high	10 Å²	10	38.4 Å²	38.4	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.2	174.9	180	0	0	0	0	107.6	N38 V39 V59 L110 N111 W128 W141	N38-V57 WeakPolarHBondContact O-CA 3.33Å; V39-V57 HydrophobicContact CG2-CG2 4.45Å; V57-V59 HydrophobicContact CG1-CG2 4.03Å; V57-L110 WeakPolarHBondContact O-CA 3.28Å; V57-N111 PolarHBondContact N-O 2.77Å; V57-N111 PolarHBondContact O-N 2.95Å; V57-W128 HydrophobicContact CB-CH2 4.43Å; V57-W128 HydrophobicContact CB-CZ3 4.37Å; V57-W128 HydrophobicContact CG1-CZ3 4.36Å; V57-W128 HydrophobicContact CG2-CH2 4.34Å; V57-W128 HydrophobicContact CG2-CZ3 3.95Å; V57-W141 HydrophobicContact CG1-CH2 4.23Å; V57-W141 HydrophobicContact CG1-CZ2 3.82Å
58	N	97.3	Very high	96	Very high	45 Å²	45	46.4 Å²	46.4	24%	0.241	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.2	173.5	179.6	6	0	0	0	109.5	N38 Y109 L110	N38-N58 HydrophobicContact CB-CB 4.2Å; N38-N58 PolarHBondContact N-O 3.46Å; N38-N58 PolarHBondContact O-N 3.28Å; N58-Y109 CarbonylContact C-O 3.42Å; N58-Y109 VanDerWaalsContact CA-O 3.26Å; N58-Y109 WeakPolarHBondContact CA-O 3.29Å; N58-Y109 PolarHBondContact OD1-O 3.09Å; N58-L110 HydrophobicContact CB-CD2 3.51Å; N58-L110 WeakPolarHBondContact OD1-CD2 3.49Å
59	V	98.1	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.6	178.8	-174.4	0	0	0	0	108.5	I34 E36 V37 V57 S108 Y109 F139 W141	I34-V59 HydrophobicContact CG2-CG1 4.35Å; E36-V59 WeakPolarHBondContact O-CA 3.28Å; V37-V59 HydrophobicContact CG1-CG2 4.42Å; V37-V59 HydrophobicContact CG2-CG1 4.33Å; V57-V59 HydrophobicContact CG1-CG2 4.03Å; V59-S108 CarbonylContact O-C 3.58Å; V59-S108 WeakPolarHBondContact O-CA 3.47Å; V59-Y109 HydrophobicContact CB-CD1 4.46Å; V59-Y109 HydrophobicContact CG2-CD1 4.23Å; V59-Y109 PolarHBondContact N-O 2.83Å; V59-Y109 PolarHBondContact O-N 3.29Å; V59-F139 HydrophobicContact CB-CE1 4.24Å; V59-F139 HydrophobicContact CB-CE2 4.46Å; V59-F139 HydrophobicContact CB-CZ 4Å; V59-F139 HydrophobicContact CG1-CD1 4.15Å; V59-F139 HydrophobicContact CG1-CD2 4.27Å; V59-F139 HydrophobicContact CG1-CE1 3.94Å; V59-F139 HydrophobicContact CG1-CE2 4.11Å; V59-F139 HydrophobicContact CG1-CG 4.3Å; V59-F139 HydrophobicContact CG1-CZ 3.93Å; V59-F139 HydrophobicContact CG2-CE2 4.26Å; V59-F139 HydrophobicContact CG2-CZ 4.1Å; V59-W141 HydrophobicContact CG2-CZ2 4.08Å
60	T	98.3	Very high	96.3	Very high	27 Å²	27	43.1 Å²	43.1	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.8	171.4	-57.3	0	0	0	0	108.4	K35 E36 T106 Y107	K35-T60 WeakPolarHBondContact CA-O 3.46Å; K35-T60 HydrophobicContact CB-CG2 4.11Å; K35-T60 WeakPolarHBondContact CB-O 3.48Å; K35-T60 HydrophobicContact CG-CG2 4.49Å; K35-T60 PolarHBondContact N-O 3.14Å; E36-T60 PolarHBondContact N-O 2.61Å; E36-T60 VanDerWaalsContact N-O 3.15Å; E36-T60 PolarHBondContact O-N 3.42Å; T60-T106 HydrophobicContact CG2-CG2 3.67Å; T60-Y107 WeakPolarHBondContact CA-O 3.49Å
61	F	98.6	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.6	-179.5	75.4	-78.3	0	0	0	111.3	V33 I97 T106 Y107 L130 L138 F139	V33-F61 CarbonylContact O-C 3.56Å; V33-F61 VanDerWaalsContact O-CA 3.28Å; V33-F61 WeakPolarHBondContact O-CA 3.4Å; F61-I97 HydrophobicContact CE1-CD1 3.91Å; F61-I97 HydrophobicContact CE1-CG1 4.5Å; F61-I97 HydrophobicContact CZ-CD1 3.97Å; F61-T106 CarbonylContact O-C 3.49Å; F61-T106 VanDerWaalsContact O-CA 3.3Å; F61-T106 WeakPolarHBondContact O-CA 3.36Å; F61-Y107 HydrophobicContact CZ-CD2 4.45Å; F61-Y107 PolarHBondContact N-O 3.39Å; F61-Y107 PolarHBondContact O-N 2.89Å; F61-L130 HydrophobicContact CE1-CD2 3.97Å; F61-L130 HydrophobicContact CE2-CD2 4.47Å; F61-L130 HydrophobicContact CZ-CD2 3.7Å; F61-L138 HydrophobicContact CE2-CB 4.03Å; F61-L138 HydrophobicContact CE2-CD1 4.44Å; F61-F139 HydrophobicContact CB-CD1 4.1Å; F61-F139 AromaticContact CD1-CD1 3.6Å; F61-F139 HydrophobicContact CD1-CD1 3.6Å; F61-F139 AromaticContact CD1-CE1 3.67Å; F61-F139 HydrophobicContact CD1-CE1 3.67Å; F61-F139 HydrophobicContact CD2-CD1 4.02Å; F61-F139 AromaticContact CE1-CD1 3.98Å; F61-F139 HydrophobicContact CE1-CD1 3.98Å; F61-F139 AromaticContact CE1-CE1 3.8Å; F61-F139 HydrophobicContact CE1-CE1 3.8Å; F61-F139 HydrophobicContact CE2-CD1 4.36Å; F61-F139 AromaticContact CG-CD1 3.63Å; F61-F139 HydrophobicContact CG-CD1 3.63Å; F61-F139 HydrophobicContact CG-CE1 4.2Å; F61-F139 HydrophobicContact CZ-CD1 4.34Å; F61-F139 HydrophobicContact CZ-CE1 4.41Å
62	T	98.5	Very high	96.7	Very high	18 Å²	18	47 Å²	47	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.6	171.6	-55	0	0	0	0	108.9	G32 V33 K35 K105 T106	G32-T62 CarbonylContact C-O 3.58Å; G32-T62 WeakPolarHBondContact CA-O 3.11Å; V33-T62 PolarHBondContact N-O 3Å; V33-T62 PolarHBondContact O-N 3.05Å; K35-T62 WeakPolarHBondContact CE-OG1 3.3Å; T62-K105 WeakPolarHBondContact CA-O 3.5Å; T62-T106 PolarHBondContact OG1-OG1 2.92Å
63	S	98.2	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135	175.4	-171.7	0	0	0	0	110.6	I65 I101 D104 K105	S63-I65 PolarHBondContact OG-N 2.99Å; S63-I65 PolarHBondContact OG-O 2.76Å; S63-I101 WeakPolarHBondContact OG-CG2 3.45Å; S63-D104 VanDerWaalsContact O-CA 3.27Å; S63-D104 WeakPolarHBondContact O-CA 3.47Å; S63-D104 PolarHBondContact O-N 2.88Å; S63-K105 PolarHBondContact N-O 2.87Å
64	N	97.9	Very high	97.2	Very high	58 Å²	58	41.6 Å²	41.6	31%	0.31	22%	0.219	S	C	.	.	S	Bend	trans	-94	-7	173.4	-63.7	-29.9	0	0	0	112.3	D31 K103	D31-N64 WeakPolarHBondContact O-CB 3.21Å; D31-N64 PolarHBondContact O-N 2.79Å; N64-K103 VanDerWaalsContact O-CD 3.25Å; N64-K103 WeakPolarHBondContact O-CD 3.31Å; N64-K103 VanDerWaalsContact O-CE 3.26Å; N64-K103 WeakPolarHBondContact O-CE 3.23Å; N64-K103 VanDerWaalsContact O-CG 3.3Å; N64-K103 WeakPolarHBondContact O-CG 3.4Å
65	I	97.8	Very high	97.4	Very high	40 Å²	40	41.2 Å²	41.2	21%	0.205	21%	0.212	C	C	.	.	S	Bend	trans	-130.8	167.6	-178.5	63.8	87.6	0	0	0	111.6	D31 S63 Q102 K103 D132 L138	D31-I65 HydrophobicContact CB-CG1 3.67Å; D31-I65 HydrophobicContact CB-CG2 4.38Å; S63-I65 PolarHBondContact OG-N 2.99Å; S63-I65 PolarHBondContact OG-O 2.76Å; I65-Q102 CarbonylContact O-C 3.45Å; I65-K103 WeakPolarHBondContact O-CA 3.35Å; I65-K103 PolarHBondContact O-N 2.88Å; I65-D132 HydrophobicContact CD1-CB 3.96Å; I65-L138 HydrophobicContact CD1-CD2 3.78Å; I65-L138 HydrophobicContact CG1-CD2 3.96Å
66	Q	97.7	Very high	97.6	Very high	159 Å²	159	40.9 Å²	40.9	74%	0.743	21%	0.214	S	C	*	.			trans	-94.6	137.5	168.7	58.5	-177.9	77.4	0	0	109.5	I101	Q66-I101 VanDerWaalsContact CA-O 3.28Å; Q66-I101 WeakPolarHBondContact CA-O 3.25Å
67	S	97.9	Very high	97.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-141.8	140.4	176	-178.4	0	0	0	0	111	S69 P100 I101 D133	S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-O 3.16Å; S67-P100 CarbonylContact O-C 3.55Å; S67-P100 WeakPolarHBondContact O-CA 3.01Å; S67-I101 PolarHBondContact N-O 3.15Å; S67-I101 PolarHBondContact O-N 2.86Å; S67-D133 PolarHBondContact OG-N 2.82Å; S67-D133 VanDerWaalsContact OG-N 3.14Å; S67-D133 PolarHBondContact OG-OD1 3.34Å
68	K	97.6	Very high	97.6	Very high	171 Å²	171	41.9 Å²	41.9	74%	0.743	21%	0.214	S	C	*	.	S	Bend	trans	-75	-30.9	177.4	-67	-179.9	-178.3	176	0	112.6
69	S	97.4	Very high	97.3	Very high	56 Å²	56	49.2 Å²	49.2	39%	0.392	25%	0.249	S	C	.	.			trans	-137.3	164.5	-175.9	54.6	0	0	0	0	111	S67	S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-O 3.16Å
70	S	97.8	Very high	96.9	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.028	28%	0.281	C	S	.	.			trans	-141.5	144.4	168.7	55.1	0	0	0	0	110.4	G92 C93 Q131	S70-G92 PolarHBondContact O-N 2.93Å; S70-G92 VanDerWaalsContact OG-CA 3.25Å; S70-G92 WeakPolarHBondContact OG-CA 3.33Å; S70-C93 PolarHBondContact OG-N 2.99Å; S70-Q131 CarbonylContact C-O 3.52Å; S70-Q131 VanDerWaalsContact CA-O 3.23Å; S70-Q131 WeakPolarHBondContact CA-O 3.47Å
71	K	98.2	Very high	96.8	Very high	114 Å²	114	55.4 Å²	55.4	50%	0.496	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.3	-177	-176.6	-178	174.5	-172.9	0	110.7	P90 Q131	K71-P90 CarbonylContact C-O 3.41Å; K71-P90 WeakPolarHBondContact CA-O 3.03Å; K71-Q131 PolarHBondContact N-O 2.79Å; K71-Q131 PolarHBondContact O-N 2.89Å
72	A	98.1	Very high	96.6	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.033	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.2	174.8	0	0	0	0	0	110.9	I87 P90 Y109 Q129 L130	A72-I87 HydrophobicContact CB-CD1 3.53Å; A72-P90 PolarHBondContact N-O 2.86Å; A72-Y109 HydrophobicContact CB-CE2 4.24Å; A72-Y109 WeakPolarHBondContact CB-OH 3.42Å; A72-Q129 CarbonylContact C-O 3.59Å; A72-Q129 VanDerWaalsContact CA-O 3.31Å; A72-Q129 WeakPolarHBondContact CA-O 3.1Å; A72-L130 HydrophobicContact CB-CD1 4.08Å
73	V	97.7	Very high	96.5	Very high	31 Å²	31	61.3 Å²	61.3	19%	0.188	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.9	177.5	-176.7	0	0	0	0	107.6	H75 Q129	V73-H75 VanDerWaalsContact CG1-CE1 3.47Å; V73-H75 WeakPolarHBondContact CG1-CE1 3.47Å; V73-Q129 HydrophobicContact CB-CB 4.43Å; V73-Q129 PolarHBondContact N-O 3.29Å; V73-Q129 PolarHBondContact O-N 2.86Å
74	V	97.5	Very high	96.4	Very high	8 Å²	8	65.8 Å²	65.8	5%	0.048	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.4	-175.3	-175.2	0	0	0	0	109.5	F85 I87 V126 E127 W128	V74-F85 HydrophobicContact CB-CB 4.31Å; V74-F85 HydrophobicContact CG1-CB 4.15Å; V74-F85 HydrophobicContact CG1-CD1 4.28Å; V74-F85 PolarHBondContact O-N 2.83Å; V74-I87 HydrophobicContact CB-CG2 4.17Å; V74-I87 HydrophobicContact CG2-CD1 4.19Å; V74-I87 HydrophobicContact CG2-CG2 3.73Å; V74-V126 HydrophobicContact CG1-CG1 4.16Å; V74-E127 WeakPolarHBondContact CA-O 3.4Å; V74-W128 HydrophobicContact CG1-CE3 4.27Å; V74-W128 HydrophobicContact CG2-CD2 3.57Å; V74-W128 HydrophobicContact CG2-CE3 3.85Å; V74-W128 HydrophobicContact CG2-CG 4.01Å; V74-W128 HydrophobicContact CG2-CH2 4.22Å; V74-W128 HydrophobicContact CG2-CZ2 3.9Å; V74-W128 HydrophobicContact CG2-CZ3 4.2Å
75	H	97.3	Very high	96.2	Very high	42 Å²	42	65.9 Å²	65.9	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142	172.9	-55.5	102.6	0	0	0	110.5	V73 P82 V83 E127	V73-H75 VanDerWaalsContact CG1-CE1 3.47Å; V73-H75 WeakPolarHBondContact CG1-CE1 3.47Å; H75-P82 HydrophobicContact CB-CB 4.35Å; H75-V83 CarbonylContact C-O 3.52Å; H75-V83 VanDerWaalsContact CA-O 3.28Å; H75-V83 WeakPolarHBondContact CA-O 3.5Å; H75-E127 HydrophobicContact CB-CB 4.3Å; H75-E127 IonicContact CE1-OE1 3.88Å; H75-E127 IonicContact CG-OE1 3.88Å; H75-E127 PolarHBondContact N-O 2.97Å; H75-E127 IonicContact ND1-OE1 2.99Å; H75-E127 PolarHBondContact ND1-OE1 3.25Å; H75-E127 PolarHBondContact O-N 2.84Å
76	G	96.4	Very high	95.9	Very high	11 Å²	11	69.5 Å²	69.5	11%	0.113	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.6	162.8	0	0	0	0	0	109.4	L78 V83	G76-L78 PolarHBondContact O-N 2.78Å; G76-V83 PolarHBondContact N-O 3.3Å; G76-V83 WeakPolarHBondContact O-CB 3.38Å; G76-V83 PolarHBondContact O-N 2.02Å
77	I	96.9	Very high	95.7	Very high	33 Å²	33	62.9 Å²	62.9	17%	0.169	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.3	176.9	-53.9	172.9	0	0	0	108.6	V81 P82 V125 E127	I77-V81 WeakPolarHBondContact CA-O 3.45Å; I77-P82 HydrophobicContact CG1-CB 4.42Å; I77-V125 HydrophobicContact CB-CB 4.18Å; I77-V125 HydrophobicContact CD1-CB 4.47Å; I77-V125 HydrophobicContact CD1-CG1 4.31Å; I77-V125 PolarHBondContact N-O 2.87Å; I77-V125 PolarHBondContact O-N 2.86Å; I77-E127 HydrophobicContact CD1-CB 4.15Å; I77-E127 HydrophobicContact CG1-CB 4.47Å
78	L	94	Very high	95.4	Very high	55 Å²	55	67.5 Å²	67.5	29%	0.288	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.6	-177.1	-67.9	169.3	0	0	0	109.1	G76 G80 V81 V83 I122 L124	G76-L78 PolarHBondContact O-N 2.78Å; L78-G80 PolarHBondContact O-N 2.76Å; L78-G80 VanDerWaalsContact O-N 3.16Å; L78-V81 PolarHBondContact N-O 3.33Å; L78-V81 PolarHBondContact O-N 2.91Å; L78-V83 HydrophobicContact CD1-CG2 4.07Å; L78-I122 HydrophobicContact CD2-CD1 3.35Å; L78-I122 HydrophobicContact CD2-CG1 4.43Å; L78-L124 HydrophobicContact CD2-CB 3.63Å; L78-L124 HydrophobicContact CG-CB 4.48Å
79	M	90.4	Very high	95.3	Very high	200 Å²	200	62.4 Å²	62.4	99%	0.985	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.5	-177.6	-56.3	-178.8	-68.8	0	0	112.8	V81	M79-V81 VanDerWaalsContact C-N 3.33Å
80	G	90.9	Very high	95.3	Very high	64 Å²	64	62.2 Å²	62.2	66%	0.66	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-3.5	-178.6	0	0	0	0	0	115.4	L78	L78-G80 PolarHBondContact O-N 2.76Å; L78-G80 VanDerWaalsContact O-N 3.16Å
81	V	95.1	Very high	95.3	Very high	93 Å²	93	64.3 Å²	64.3	56%	0.564	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.8	178	-177.4	0	0	0	0	110	I77 L78 M79	I77-V81 WeakPolarHBondContact CA-O 3.45Å; L78-V81 PolarHBondContact N-O 3.33Å; L78-V81 PolarHBondContact O-N 2.91Å; M79-V81 VanDerWaalsContact C-N 3.33Å
82	P	95.8	Very high	95.2	Very high	77 Å²	77	58.9 Å²	58.9	50%	0.5	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.9	175.3	29.7	-32.8	0	0	0	110.6	H75 I77	H75-P82 HydrophobicContact CB-CB 4.35Å; I77-P82 HydrophobicContact CG1-CB 4.42Å
83	V	96	Very high	95.2	Very high	65 Å²	65	60.3 Å²	60.3	39%	0.394	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.1	176.5	-179	0	0	0	0	109.2	H75 G76 L78	H75-V83 CarbonylContact C-O 3.52Å; H75-V83 VanDerWaalsContact CA-O 3.28Å; H75-V83 WeakPolarHBondContact CA-O 3.5Å; G76-V83 PolarHBondContact N-O 3.3Å; G76-V83 WeakPolarHBondContact O-CB 3.38Å; G76-V83 PolarHBondContact O-N 2.02Å; L78-V83 HydrophobicContact CD1-CG2 4.07Å
84	P	95.4	Very high	95.2	Very high	93 Å²	93	65.6 Å²	65.6	60%	0.604	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.8	-178.5	26.8	-34.1	0	0	0	111.8
85	F	93.6	Very high	95.2	Very high	60 Å²	60	65.6 Å²	65.6	26%	0.263	38%	0.383	S	S	.	.			trans	-117.2	103.5	176.5	-173.2	-100	0	0	0	110.3	V74 I87 L113 Y119	V74-F85 HydrophobicContact CB-CB 4.31Å; V74-F85 HydrophobicContact CG1-CB 4.15Å; V74-F85 HydrophobicContact CG1-CD1 4.28Å; V74-F85 PolarHBondContact O-N 2.83Å; F85-I87 HydrophobicContact CD1-CG2 3.83Å; F85-I87 HydrophobicContact CE1-CG2 4.1Å; F85-I87 PolarHBondContact O-N 2.78Å; F85-L113 HydrophobicContact CE1-CD1 4.44Å; F85-L113 HydrophobicContact CE1-CD2 4.5Å; F85-Y119 AromaticContact CE2-CE2 3.93Å; F85-Y119 HydrophobicContact CE2-CE2 3.93Å; F85-Y119 AromaticContact CE2-CZ 3.7Å; F85-Y119 VanDerWaalsContact CE2-OH 3.24Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.18Å; F85-Y119 HydrophobicContact CZ-CE2 4.16Å; F85-Y119 WeakPolarHBondContact CZ-OH 3.26Å
86	P	92.3	Very high	95	Very high	117 Å²	117	66.1 Å²	66.1	76%	0.76	40%	0.4	S	S	*	.			trans	-66.1	120.4	176.9	-19.5	32	0	0	0	110.9
87	I	94.1	Very high	95.1	Very high	19 Å²	19	65.7 Å²	65.7	10%	0.097	40%	0.395	C	S	.	.			trans	-94.5	149.8	175	57.7	176.4	0	0	0	110.8	A72 V74 F85 E89 P90 L113 W128	A72-I87 HydrophobicContact CB-CD1 3.53Å; V74-I87 HydrophobicContact CB-CG2 4.17Å; V74-I87 HydrophobicContact CG2-CD1 4.19Å; V74-I87 HydrophobicContact CG2-CG2 3.73Å; F85-I87 HydrophobicContact CD1-CG2 3.83Å; F85-I87 HydrophobicContact CE1-CG2 4.1Å; F85-I87 PolarHBondContact O-N 2.78Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 WeakPolarHBondContact CD1-O 3.25Å; I87-E89 PolarHBondContact O-N 2.87Å; I87-P90 HydrophobicContact CG1-CB 4.28Å; I87-L113 HydrophobicContact CB-CD2 4.09Å; I87-L113 HydrophobicContact CG2-CD2 3.58Å; I87-W128 HydrophobicContact CD1-CZ2 4.41Å
88	P	91.3	Very high	95	Very high	100 Å²	100	69.8 Å²	69.8	65%	0.649	42%	0.417	S	S	*	.	S	Bend	trans	-60.9	-39.2	-176	-24.8	34.5	0	0	0	114.1
89	E	95.6	Very high	95.1	Very high	64 Å²	64	68.9 Å²	68.9	30%	0.299	42%	0.415	S	S	.	.			trans	-123.1	99.6	176.7	-175.9	57.4	-93.6	0	0	108.9	I87 D91 K94 N111	I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 WeakPolarHBondContact CD1-O 3.25Å; I87-E89 PolarHBondContact O-N 2.87Å; E89-D91 WeakPolarHBondContact OE1-CB 3.45Å; E89-D91 PolarHBondContact OE1-N 2.85Å; E89-D91 VanDerWaalsContact OE1-N 3.09Å; E89-K94 HydrophobicContact CG-CB 4.05Å; E89-K94 WeakPolarHBondContact OE2-CD 3.43Å; E89-N111 PolarHBondContact O-ND2 2.83Å
90	P	96.4	Very high	95.5	Very high	53 Å²	53	63.3 Å²	63.3	34%	0.344	39%	0.394	S	S	.	.			trans	-81.9	-14.7	175.1	33	-34.5	0	0	0	112.7	K71 A72 I87 G92	K71-P90 CarbonylContact C-O 3.41Å; K71-P90 WeakPolarHBondContact CA-O 3.03Å; A72-P90 PolarHBondContact N-O 2.86Å; I87-P90 HydrophobicContact CG1-CB 4.28Å; P90-G92 PolarHBondContact O-N 2.87Å
91	D	97.6	Very high	95.8	Very high	47 Å²	47	60.3 Å²	60.3	25%	0.251	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-76.4	112.5	179.5	-170.9	-13.4	0	0	0	110.9	E89 C93 K94 S95	E89-D91 WeakPolarHBondContact OE1-CB 3.45Å; E89-D91 PolarHBondContact OE1-N 2.85Å; E89-D91 VanDerWaalsContact OE1-N 3.09Å; D91-C93 PolarHBondContact O-N 3.4Å; D91-C93 WeakPolarHBondContact OD1-CA 3.39Å; D91-C93 WeakPolarHBondContact OD1-CB 3.48Å; D91-C93 PolarHBondContact OD1-N 3.49Å; D91-K94 HydrophobicContact CB-CB 4.35Å; D91-K94 HydrophobicContact CB-CD 4.05Å; D91-K94 HydrophobicContact CB-CG 4.16Å; D91-K94 PolarHBondContact O-N 3.44Å; D91-K94 VanDerWaalsContact O-N 3.16Å; D91-K94 WeakPolarHBondContact OD2-CE 3.28Å; D91-K94 IonicContact OD2-NZ 3.91Å; D91-S95 PolarHBondContact O-N 2.84Å; D91-S95 PolarHBondContact O-OG 3.21Å
92	G	97.2	Very high	96	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-64.7	-29.5	178.3	0	0	0	0	0	112.7	S70 P90 K94 S95 I97	S70-G92 PolarHBondContact O-N 2.93Å; S70-G92 VanDerWaalsContact OG-CA 3.25Å; S70-G92 WeakPolarHBondContact OG-CA 3.33Å; P90-G92 PolarHBondContact O-N 2.87Å; G92-K94 PolarHBondContact O-N 2.88Å; G92-S95 PolarHBondContact O-N 3.49Å; G92-I97 WeakPolarHBondContact O-CB 3.21Å
93	C	97.6	Very high	96.1	Very high	35 Å²	35	63.4 Å²	63.4	24%	0.236	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-67.8	-18.4	177.7	-56	0	0	0	0	112.9	S70 D91 I97 C99	S70-C93 PolarHBondContact OG-N 2.99Å; D91-C93 PolarHBondContact O-N 3.4Å; D91-C93 WeakPolarHBondContact OD1-CA 3.39Å; D91-C93 WeakPolarHBondContact OD1-CB 3.48Å; D91-C93 PolarHBondContact OD1-N 3.49Å; C93-I97 CarbonylContact C-O 3.6Å; C93-I97 VanDerWaalsContact CA-O 3.28Å; C93-I97 WeakPolarHBondContact CA-O 3.42Å; C93-C99 VanDerWaalsContact CA-SG 3.57Å; C93-C99 HydrophobicContact CB-CB 3.68Å; C93-C99 WeakPolarHBondContact CB-SG 3.32Å; C93-C99 WeakPolarHBondContact SG-CB 3.45Å; C93-C99 CovalentContact SG-SG 2.02Å; C93-C99 PolarHBondContact SG-SG 2.82Å
94	K	97.6	Very high	96.1	Very high	141 Å²	141	65.6 Å²	65.6	61%	0.613	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-98	-2	174	-62.6	178.9	-169.9	166.1	0	112.9	E89 D91 G92	E89-K94 HydrophobicContact CG-CB 4.05Å; E89-K94 WeakPolarHBondContact OE2-CD 3.43Å; D91-K94 HydrophobicContact CB-CB 4.35Å; D91-K94 HydrophobicContact CB-CD 4.05Å; D91-K94 HydrophobicContact CB-CG 4.16Å; D91-K94 PolarHBondContact O-N 3.44Å; D91-K94 VanDerWaalsContact O-N 3.16Å; D91-K94 WeakPolarHBondContact OD2-CE 3.28Å; D91-K94 IonicContact OD2-NZ 3.91Å; G92-K94 PolarHBondContact O-N 2.88Å
95	S	97	Very high	96.3	Very high	8 Å²	8	65.3 Å²	65.3	6%	0.056	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	46.2	-172.6	-59.4	0	0	0	0	110.8	D91 G92 Y109 L110	D91-S95 PolarHBondContact O-N 2.84Å; D91-S95 PolarHBondContact O-OG 3.21Å; G92-S95 PolarHBondContact O-N 3.49Å; S95-Y109 CarbonylContact O-C 3.54Å; S95-Y109 WeakPolarHBondContact O-CA 3.4Å; S95-L110 VanDerWaalsContact CB-O 3.29Å; S95-L110 WeakPolarHBondContact CB-O 3.46Å; S95-L110 PolarHBondContact O-N 2.86Å
96	G	94.5	Very high	96.5	Very high	53 Å²	53	66 Å²	66	55%	0.546	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-5.3	178	0	0	0	0	0	116.2	S108	G96-S108 CarbonylContact C-O 3.52Å
97	I	97.5	Very high	96.8	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.015	34%	0.337	C	S	.	.			trans	-97.4	122.9	179.5	-54.4	174.9	0	0	0	110.3	F61 G92 C93 C99 I101 Y107 Y109 L130	F61-I97 HydrophobicContact CE1-CD1 3.91Å; F61-I97 HydrophobicContact CE1-CG1 4.5Å; F61-I97 HydrophobicContact CZ-CD1 3.97Å; G92-I97 WeakPolarHBondContact O-CB 3.21Å; C93-I97 CarbonylContact C-O 3.6Å; C93-I97 VanDerWaalsContact CA-O 3.28Å; C93-I97 WeakPolarHBondContact CA-O 3.42Å; I97-C99 PolarHBondContact O-N 2.76Å; I97-I101 HydrophobicContact CG2-CD1 3.95Å; I97-I101 HydrophobicContact CG2-CG1 3.74Å; I97-Y107 HydrophobicContact CG2-CD1 3.78Å; I97-Y107 HydrophobicContact CG2-CE1 4.1Å; I97-Y107 HydrophobicContact CG2-CG 4.21Å; I97-Y109 HydrophobicContact CD1-CD2 3.94Å; I97-Y109 HydrophobicContact CG1-CD2 4.44Å; I97-L130 HydrophobicContact CD1-CD2 3.44Å; I97-L130 VanDerWaalsContact CD1-CD2 3.44Å
98	N	95.9	Very high	96.9	Very high	119 Å²	119	62.6 Å²	62.6	64%	0.636	35%	0.349	S	S	*	.			trans	-83.7	105	173.8	-169	69.9	0	0	0	111
99	C	96	Very high	97.3	Very high	35 Å²	35	57.8 Å²	57.8	24%	0.236	32%	0.318	C	S	.	.	S	Bend	trans	-84.1	149.7	177.9	-67.8	0	0	0	0	112.5	C93 I97	C93-C99 VanDerWaalsContact CA-SG 3.57Å; C93-C99 HydrophobicContact CB-CB 3.68Å; C93-C99 WeakPolarHBondContact CB-SG 3.32Å; C93-C99 WeakPolarHBondContact SG-CB 3.45Å; C93-C99 CovalentContact SG-SG 2.02Å; C93-C99 PolarHBondContact SG-SG 2.82Å; I97-C99 PolarHBondContact O-N 2.76Å
100	P	97.6	Very high	97.3	Very high	83 Å²	83	59 Å²	59	54%	0.539	33%	0.325	S	S	.	.	S	Bend	cis	-70	143.7	1.4	29.8	-35.4	0	0	0	113	S67	S67-P100 CarbonylContact O-C 3.55Å; S67-P100 WeakPolarHBondContact O-CA 3.01Å
101	I	98.1	Very high	97.2	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-67.8	133.5	174.6	-63.6	177.5	0	0	0	108.6	S63 Q66 S67 I97 Y107 L138	S63-I101 WeakPolarHBondContact OG-CG2 3.45Å; Q66-I101 VanDerWaalsContact CA-O 3.28Å; Q66-I101 WeakPolarHBondContact CA-O 3.25Å; S67-I101 PolarHBondContact N-O 3.15Å; S67-I101 PolarHBondContact O-N 2.86Å; I97-I101 HydrophobicContact CG2-CD1 3.95Å; I97-I101 HydrophobicContact CG2-CG1 3.74Å; I101-Y107 WeakPolarHBondContact CA-OH 3.17Å; I101-Y107 HydrophobicContact CG2-CD2 4.49Å; I101-Y107 HydrophobicContact CG2-CE2 3.81Å; I101-L138 HydrophobicContact CD1-CD1 3.55Å
102	Q	98.2	Very high	97	Very high	110 Å²	110	61.2 Å²	61.2	51%	0.514	33%	0.329	S	S	.	.			trans	-105.8	144.6	179.6	-61.2	179.4	21.2	0	0	109.7	I65 K105 Y107	I65-Q102 CarbonylContact O-C 3.45Å; Q102-K105 HydrophobicContact CB-CB 4.27Å; Q102-K105 HydrophobicContact CB-CD 4.41Å; Q102-Y107 PolarHBondContact N-OH 2.84Å
103	K	97.9	Very high	96.7	Very high	124 Å²	124	62.4 Å²	62.4	54%	0.539	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	144.8	173.5	172.9	169.1	-176.8	-179.2	0	110.8	N64 I65 K105	N64-K103 VanDerWaalsContact O-CD 3.25Å; N64-K103 WeakPolarHBondContact O-CD 3.31Å; N64-K103 VanDerWaalsContact O-CE 3.26Å; N64-K103 WeakPolarHBondContact O-CE 3.23Å; N64-K103 VanDerWaalsContact O-CG 3.3Å; N64-K103 WeakPolarHBondContact O-CG 3.4Å; I65-K103 WeakPolarHBondContact O-CA 3.35Å; I65-K103 PolarHBondContact O-N 2.88Å; K103-K105 PolarHBondContact O-N 3.03Å; K103-K105 VanDerWaalsContact O-N 3.14Å
104	D	97.7	Very high	96.4	Very high	111 Å²	111	63.4 Å²	63.4	59%	0.594	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	16.7	177.9	-52.8	-36.4	0	0	0	114.4	S63	S63-D104 VanDerWaalsContact O-CA 3.27Å; S63-D104 WeakPolarHBondContact O-CA 3.47Å; S63-D104 PolarHBondContact O-N 2.88Å
105	K	98.1	Very high	96.2	Very high	87 Å²	87	57.3 Å²	57.3	38%	0.378	32%	0.316	S	S	.	.			trans	-102.2	140.2	177.5	-174.6	167.1	174	-177.6	0	111.3	T62 S63 Q102 K103 Y107	T62-K105 WeakPolarHBondContact CA-O 3.5Å; S63-K105 PolarHBondContact N-O 2.87Å; Q102-K105 HydrophobicContact CB-CB 4.27Å; Q102-K105 HydrophobicContact CB-CD 4.41Å; K103-K105 PolarHBondContact O-N 3.03Å; K103-K105 VanDerWaalsContact O-N 3.14Å; K105-Y107 HydrophobicContact CB-CD2 4.5Å; K105-Y107 HydrophobicContact CB-CE2 3.68Å; K105-Y107 HydrophobicContact CD-CE1 4.27Å; K105-Y107 HydrophobicContact CD-CE2 4.23Å; K105-Y107 HydrophobicContact CG-CD2 4.4Å; K105-Y107 HydrophobicContact CG-CE1 4.45Å; K105-Y107 HydrophobicContact CG-CE2 3.76Å; K105-Y107 VanDerWaalsContact O-CD2 3.3Å; K105-Y107 WeakPolarHBondContact O-CD2 3.22Å; K105-Y107 WeakPolarHBondContact O-CE2 3.25Å
106	T	98.3	Very high	96	Very high	76 Å²	76	61.7 Å²	61.7	47%	0.466	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137	176	-58	0	0	0	0	110.8	T60 F61 T62	T60-T106 HydrophobicContact CG2-CG2 3.67Å; F61-T106 CarbonylContact O-C 3.49Å; F61-T106 VanDerWaalsContact O-CA 3.3Å; F61-T106 WeakPolarHBondContact O-CA 3.36Å; T62-T106 PolarHBondContact OG1-OG1 2.92Å
107	Y	98.3	Very high	95.8	Very high	14 Å²	14	63.5 Å²	63.5	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.4	-179.4	-64.1	-88.9	0	0	0	110.5	T60 F61 I97 I101 Q102 K105	T60-Y107 WeakPolarHBondContact CA-O 3.49Å; F61-Y107 HydrophobicContact CZ-CD2 4.45Å; F61-Y107 PolarHBondContact N-O 3.39Å; F61-Y107 PolarHBondContact O-N 2.89Å; I97-Y107 HydrophobicContact CG2-CD1 3.78Å; I97-Y107 HydrophobicContact CG2-CE1 4.1Å; I97-Y107 HydrophobicContact CG2-CG 4.21Å; I101-Y107 WeakPolarHBondContact CA-OH 3.17Å; I101-Y107 HydrophobicContact CG2-CD2 4.49Å; I101-Y107 HydrophobicContact CG2-CE2 3.81Å; Q102-Y107 PolarHBondContact N-OH 2.84Å; K105-Y107 HydrophobicContact CB-CD2 4.5Å; K105-Y107 HydrophobicContact CB-CE2 3.68Å; K105-Y107 HydrophobicContact CD-CE1 4.27Å; K105-Y107 HydrophobicContact CD-CE2 4.23Å; K105-Y107 HydrophobicContact CG-CD2 4.4Å; K105-Y107 HydrophobicContact CG-CE1 4.45Å; K105-Y107 HydrophobicContact CG-CE2 3.76Å; K105-Y107 VanDerWaalsContact O-CD2 3.3Å; K105-Y107 WeakPolarHBondContact O-CD2 3.22Å; K105-Y107 WeakPolarHBondContact O-CE2 3.25Å
108	S	97.6	Very high	95.6	Very high	49 Å²	49	70.4 Å²	70.4	34%	0.343	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110.8	170.9	-62.4	0	0	0	0	109.1	V59 G96	V59-S108 CarbonylContact O-C 3.58Å; V59-S108 WeakPolarHBondContact O-CA 3.47Å; G96-S108 CarbonylContact C-O 3.52Å
109	Y	98.1	Very high	95.4	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.5	172.7	172.7	-98.7	0	0	0	109.5	N58 V59 A72 S95 I97 N111 W128 L130 F139	N58-Y109 CarbonylContact C-O 3.42Å; N58-Y109 VanDerWaalsContact CA-O 3.26Å; N58-Y109 WeakPolarHBondContact CA-O 3.29Å; N58-Y109 PolarHBondContact OD1-O 3.09Å; V59-Y109 HydrophobicContact CB-CD1 4.46Å; V59-Y109 HydrophobicContact CG2-CD1 4.23Å; V59-Y109 PolarHBondContact N-O 2.83Å; V59-Y109 PolarHBondContact O-N 3.29Å; A72-Y109 HydrophobicContact CB-CE2 4.24Å; A72-Y109 WeakPolarHBondContact CB-OH 3.42Å; S95-Y109 CarbonylContact O-C 3.54Å; S95-Y109 WeakPolarHBondContact O-CA 3.4Å; I97-Y109 HydrophobicContact CD1-CD2 3.94Å; I97-Y109 HydrophobicContact CG1-CD2 4.44Å; Y109-N111 HydrophobicContact CE1-CB 3.86Å; Y109-N111 PolarHBondContact OH-ND2 2.88Å; Y109-W128 AromaticContact CE1-CE2 3.74Å; Y109-W128 AromaticContact CE1-CZ2 3.57Å; Y109-W128 HydrophobicContact CE1-CZ2 3.57Å; Y109-W128 AromaticContact CE1-NE1 3.6Å; Y109-W128 AromaticContact CZ-CZ2 3.93Å; Y109-W128 AromaticContact CZ-NE1 3.95Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.35Å; Y109-L130 HydrophobicContact CD2-CD1 4.2Å; Y109-L130 HydrophobicContact CE2-CD1 4.11Å; Y109-F139 AromaticContact CD1-CZ 3.96Å; Y109-F139 HydrophobicContact CD1-CZ 3.96Å; Y109-F139 HydrophobicContact CG-CE1 4.4Å; Y109-F139 HydrophobicContact CG-CZ 4.12Å
110	L	96.3	Very high	95.2	Very high	88 Å²	88	68.9 Å²	68.9	46%	0.461	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	-175	-63.3	172.2	0	0	0	110	V57 N58 S95	V57-L110 WeakPolarHBondContact O-CA 3.28Å; N58-L110 HydrophobicContact CB-CD2 3.51Å; N58-L110 WeakPolarHBondContact OD1-CD2 3.49Å; S95-L110 VanDerWaalsContact CB-O 3.29Å; S95-L110 WeakPolarHBondContact CB-O 3.46Å; S95-L110 PolarHBondContact O-N 2.86Å
111	N	94.9	Very high	95.1	Very high	20 Å²	20	67.4 Å²	67.4	11%	0.107	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155	173	-152.4	-23.2	0	0	0	111.4	S56 V57 E89 Y109 W128	S56-N111 CarbonylContact C-O 3.49Å; S56-N111 WeakPolarHBondContact CA-O 3.23Å; V57-N111 PolarHBondContact N-O 2.77Å; V57-N111 PolarHBondContact O-N 2.95Å; E89-N111 PolarHBondContact O-ND2 2.83Å; Y109-N111 HydrophobicContact CE1-CB 3.86Å; Y109-N111 PolarHBondContact OH-ND2 2.88Å; N111-W128 HydrophobicContact CB-CH2 4.12Å; N111-W128 HydrophobicContact CB-CZ2 4.08Å
112	K	92.8	Very high	94.9	Very high	128 Å²	128	70.1 Å²	70.1	56%	0.557	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.5	176.8	-174.6	176.8	178.1	177.9	0	109.4	Y55	Y55-K112 CarbonylContact O-C 3.56Å; Y55-K112 WeakPolarHBondContact O-CA 3.12Å
113	L	90.6	Very high	94.8	Very high	25 Å²	25	72.2 Å²	72.2	13%	0.131	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.6	-178.4	-64.2	-172.3	0	0	0	111.8	S54 Y55 F85 I87 W128	S54-L113 WeakPolarHBondContact CA-O 3.01Å; Y55-L113 PolarHBondContact N-O 3.48Å; Y55-L113 PolarHBondContact O-N 2.99Å; F85-L113 HydrophobicContact CE1-CD1 4.44Å; F85-L113 HydrophobicContact CE1-CD2 4.5Å; I87-L113 HydrophobicContact CB-CD2 4.09Å; I87-L113 HydrophobicContact CG2-CD2 3.58Å; L113-W128 HydrophobicContact CD1-CE3 4.49Å; L113-W128 HydrophobicContact CD1-CH2 3.51Å; L113-W128 HydrophobicContact CD1-CZ3 3.33Å; L113-W128 HydrophobicContact CD2-CH2 4.14Å; L113-W128 HydrophobicContact CG-CH2 3.86Å; L113-W128 HydrophobicContact CG-CZ3 4.14Å
114	P	91.9	Very high	94.7	Very high	56 Å²	56	67.5 Å²	67.5	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.2	169	31	-31.2	0	0	0	110.8	K116	P114-K116 PolarHBondContact O-N 3.35Å
115	V	93.2	Very high	94.8	Very high	13 Å²	13	64.4 Å²	64.4	8%	0.079	34%	0.339	C	S	.	.			trans	-86.9	105.9	171	-176.1	0	0	0	0	107.2	L49 K51 G52 Q53 Y55 Y119 I147	L49-V115 HydrophobicContact CB-CG2 4.08Å; L49-V115 HydrophobicContact CD1-CG2 4.49Å; K51-V115 HydrophobicContact CG-CG1 4.41Å; G52-V115 WeakPolarHBondContact CA-O 3.37Å; G52-V115 PolarHBondContact N-O 3.16Å; Q53-V115 PolarHBondContact O-N 3.23Å; Y55-V115 HydrophobicContact CD2-CG2 3.71Å; Y55-V115 HydrophobicContact CE2-CG2 3.87Å; V115-Y119 HydrophobicContact CG1-CD2 3.98Å; V115-I147 HydrophobicContact CG1-CG2 4.19Å
116	K	91.8	Very high	94.7	Very high	100 Å²	100	61.3 Å²	61.3	44%	0.435	33%	0.327	S	S	.	.			trans	-69.2	150.3	-175.3	-60.1	-176.1	-175.3	-179.4	0	112.2	P114 E118 Y119	P114-K116 PolarHBondContact O-N 3.35Å; K116-E118 HydrophobicContact CB-CG 3.89Å; K116-E118 HydrophobicContact CD-CG 4.33Å; K116-E118 VanDerWaalsContact CD-OE1 3.28Å; K116-E118 WeakPolarHBondContact CD-OE1 3.33Å; K116-E118 IonicContact NZ-OE1 3.69Å; K116-E118 PolarHBondContact O-N 3.29Å; K116-Y119 HydrophobicContact CB-CD1 4.06Å; K116-Y119 HydrophobicContact CB-CD2 4.07Å; K116-Y119 HydrophobicContact CB-CE1 3.82Å; K116-Y119 HydrophobicContact CB-CE2 3.82Å; K116-Y119 HydrophobicContact CB-CG 4.17Å; K116-Y119 HydrophobicContact CD-CE1 3.89Å; K116-Y119 WeakPolarHBondContact CD-OH 3.23Å; K116-Y119 HydrophobicContact CG-CE1 4.08Å; K116-Y119 HydrophobicContact CG-CE2 3.96Å; K116-Y119 VanDerWaalsContact N-CD2 3.28Å; K116-Y119 WeakPolarHBondContact O-CB 3.43Å; K116-Y119 PolarHBondContact O-N 3.46Å
117	S	92.1	Very high	94.7	Very high	91 Å²	91	59 Å²	59	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.9	177.6	-58.5	0	0	0	0	113.9	Y119	S117-Y119 VanDerWaalsContact C-N 3.28Å; S117-Y119 PolarHBondContact O-N 2.03Å
118	E	91.7	Very high	94.7	Very high	147 Å²	147	58.5 Å²	58.5	69%	0.687	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.9	178.9	67.6	-159.2	-157.5	0	0	113.9	K116	K116-E118 HydrophobicContact CB-CG 3.89Å; K116-E118 HydrophobicContact CD-CG 4.33Å; K116-E118 VanDerWaalsContact CD-OE1 3.28Å; K116-E118 WeakPolarHBondContact CD-OE1 3.33Å; K116-E118 IonicContact NZ-OE1 3.69Å; K116-E118 PolarHBondContact O-N 3.29Å
119	Y	91.9	Very high	94.8	Very high	48 Å²	48	57.7 Å²	57.7	19%	0.188	30%	0.3	C	S	.	.	S	Bend	trans	-66.6	141.7	-178.4	-63.9	-18.3	0	0	0	111.4	K51 F85 V115 K116 S117	K51-Y119 WeakPolarHBondContact CD-O 3.43Å; K51-Y119 WeakPolarHBondContact CE-O 3.42Å; K51-Y119 PolarHBondContact NZ-O 2.85Å; F85-Y119 AromaticContact CE2-CE2 3.93Å; F85-Y119 HydrophobicContact CE2-CE2 3.93Å; F85-Y119 AromaticContact CE2-CZ 3.7Å; F85-Y119 VanDerWaalsContact CE2-OH 3.24Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.18Å; F85-Y119 HydrophobicContact CZ-CE2 4.16Å; F85-Y119 WeakPolarHBondContact CZ-OH 3.26Å; V115-Y119 HydrophobicContact CG1-CD2 3.98Å; K116-Y119 HydrophobicContact CB-CD1 4.06Å; K116-Y119 HydrophobicContact CB-CD2 4.07Å; K116-Y119 HydrophobicContact CB-CE1 3.82Å; K116-Y119 HydrophobicContact CB-CE2 3.82Å; K116-Y119 HydrophobicContact CB-CG 4.17Å; K116-Y119 HydrophobicContact CD-CE1 3.89Å; K116-Y119 WeakPolarHBondContact CD-OH 3.23Å; K116-Y119 HydrophobicContact CG-CE1 4.08Å; K116-Y119 HydrophobicContact CG-CE2 3.96Å; K116-Y119 VanDerWaalsContact N-CD2 3.28Å; K116-Y119 WeakPolarHBondContact O-CB 3.43Å; K116-Y119 PolarHBondContact O-N 3.46Å; S117-Y119 VanDerWaalsContact C-N 3.28Å; S117-Y119 PolarHBondContact O-N 2.03Å
120	P	92.1	Very high	94.8	Very high	75 Å²	75	57.7 Å²	57.7	49%	0.487	30%	0.3	S	S	.	.			trans	-68.5	152.9	178	29.9	-36.2	0	0	0	111.1	I122 I147	P120-I122 HydrophobicContact CB-CD1 4.45Å; P120-I122 HydrophobicContact CB-CG2 4.19Å; P120-I122 HydrophobicContact CG-CD1 3.73Å; P120-I122 HydrophobicContact CG-CG1 4.12Å; P120-I122 PolarHBondContact O-N 2.8Å; P120-I147 WeakPolarHBondContact O-CB 3.38Å; P120-I147 VanDerWaalsContact O-CG2 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.45Å
121	S	94.8	Very high	94.9	Very high	51 Å²	51	55 Å²	55	36%	0.357	29%	0.285	S	S	.	.			trans	-85.9	99.3	173.9	-59.4	0	0	0	0	109.6	K51 I147 F149	K51-S121 WeakPolarHBondContact CE-OG 3.24Å; K51-S121 PolarHBondContact NZ-OG 2.93Å; S121-I147 CarbonylContact C-O 3.52Å; S121-I147 VanDerWaalsContact CA-O 3.23Å; S121-I147 WeakPolarHBondContact CA-O 3.28Å; S121-F149 WeakPolarHBondContact OG-CD2 3.37Å; S121-F149 WeakPolarHBondContact OG-CE2 3.35Å
122	I	94.5	Very high	95	Very high	59 Å²	59	54.3 Å²	54.3	30%	0.303	28%	0.281	S	S	.	.			trans	-147.2	162.2	-172.3	56.6	176.3	0	0	0	111.4	L78 P120 L124 I147	L78-I122 HydrophobicContact CD2-CD1 3.35Å; L78-I122 HydrophobicContact CD2-CG1 4.43Å; P120-I122 HydrophobicContact CB-CD1 4.45Å; P120-I122 HydrophobicContact CB-CG2 4.19Å; P120-I122 HydrophobicContact CG-CD1 3.73Å; P120-I122 HydrophobicContact CG-CG1 4.12Å; P120-I122 PolarHBondContact O-N 2.8Å; I122-L124 HydrophobicContact CG1-CD2 4.18Å; I122-I147 PolarHBondContact N-O 3.44Å; I122-I147 PolarHBondContact O-N 3.27Å
123	K	95.9	Very high	95.2	Very high	154 Å²	154	51.7 Å²	51.7	67%	0.67	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.4	166.8	-65.1	179.4	179.6	-178.3	0	109.1	V145 Q146	K123-V145 WeakPolarHBondContact CA-O 3.46Å; K123-Q146 HydrophobicContact CG-CB 4.14Å; K123-Q146 HydrophobicContact CG-CG 3.82Å
124	L	97.2	Very high	95.5	Very high	26 Å²	26	57.6 Å²	57.6	14%	0.136	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	169.5	175.6	66.3	142.1	0	0	0	110.1	L78 I122 V126 V145 I147	L78-L124 HydrophobicContact CD2-CB 3.63Å; L78-L124 HydrophobicContact CG-CB 4.48Å; I122-L124 HydrophobicContact CG1-CD2 4.18Å; L124-V126 HydrophobicContact CD1-CG2 4.17Å; L124-V145 HydrophobicContact CD1-CG2 4.36Å; L124-V145 HydrophobicContact CD2-CG2 3.85Å; L124-V145 HydrophobicContact CG-CG2 3.72Å; L124-V145 PolarHBondContact N-O 2.94Å; L124-V145 PolarHBondContact O-N 3.37Å; L124-V145 VanDerWaalsContact O-O 3.09Å; L124-I147 HydrophobicContact CD2-CD1 3.88Å; L124-I147 HydrophobicContact CD2-CG1 3.97Å
125	V	97.9	Very high	95.7	Very high	45 Å²	45	60.4 Å²	60.4	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.5	166.4	177.2	0	0	0	0	107.7	I77 E142 I143	I77-V125 HydrophobicContact CB-CB 4.18Å; I77-V125 HydrophobicContact CD1-CB 4.47Å; I77-V125 HydrophobicContact CD1-CG1 4.31Å; I77-V125 PolarHBondContact N-O 2.87Å; I77-V125 PolarHBondContact O-N 2.86Å; V125-E142 HydrophobicContact CG1-CB 3.78Å; V125-E142 HydrophobicContact CG1-CG 4.02Å; V125-I143 WeakPolarHBondContact CA-O 3.39Å
126	V	97.3	Very high	95.9	Very high	23 Å²	23	63.8 Å²	63.8	14%	0.139	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.7	170.7	173.5	0	0	0	0	107.3	V74 L124 W128 W141 E142 I143 V145	V74-V126 HydrophobicContact CG1-CG1 4.16Å; L124-V126 HydrophobicContact CD1-CG2 4.17Å; V126-W128 HydrophobicContact CG1-CE3 4.47Å; V126-W141 HydrophobicContact CG1-CH2 4.46Å; V126-W141 HydrophobicContact CG1-CZ3 4.1Å; V126-E142 CarbonylContact O-C 3.56Å; V126-E142 WeakPolarHBondContact O-CA 3.34Å; V126-I143 HydrophobicContact CB-CG1 4.3Å; V126-I143 PolarHBondContact N-O 3.47Å; V126-I143 PolarHBondContact O-N 3.48Å; V126-V145 HydrophobicContact CG2-CG1 4.05Å; V126-V145 HydrophobicContact CG2-CG2 3.62Å
127	E	98.3	Very high	96.2	Very high	28 Å²	28	59.7 Å²	59.7	13%	0.131	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.2	169.1	-175.9	-163.6	96.2	0	0	108.3	V74 H75 I77 Q129 W141 E142	V74-E127 WeakPolarHBondContact CA-O 3.4Å; H75-E127 HydrophobicContact CB-CB 4.3Å; H75-E127 IonicContact CE1-OE1 3.88Å; H75-E127 IonicContact CG-OE1 3.88Å; H75-E127 PolarHBondContact N-O 2.97Å; H75-E127 IonicContact ND1-OE1 2.99Å; H75-E127 PolarHBondContact ND1-OE1 3.25Å; H75-E127 PolarHBondContact O-N 2.84Å; I77-E127 HydrophobicContact CD1-CB 4.15Å; I77-E127 HydrophobicContact CG1-CB 4.47Å; E127-Q129 PolarHBondContact OE1-NE2 3.34Å; E127-W141 CarbonylContact C-O 3.53Å; E127-W141 WeakPolarHBondContact CA-O 2.93Å; E127-E142 HydrophobicContact CB-CG 4.14Å; E127-E142 HydrophobicContact CG-CG 4.15Å
128	W	98.3	Very high	96.5	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.6	179.3	-159.9	-55.3	0	0	0	110.4	V57 V74 I87 Y109 N111 L113 V126 F139 C140 W141	V57-W128 HydrophobicContact CB-CH2 4.43Å; V57-W128 HydrophobicContact CB-CZ3 4.37Å; V57-W128 HydrophobicContact CG1-CZ3 4.36Å; V57-W128 HydrophobicContact CG2-CH2 4.34Å; V57-W128 HydrophobicContact CG2-CZ3 3.95Å; V74-W128 HydrophobicContact CG1-CE3 4.27Å; V74-W128 HydrophobicContact CG2-CD2 3.57Å; V74-W128 HydrophobicContact CG2-CE3 3.85Å; V74-W128 HydrophobicContact CG2-CG 4.01Å; V74-W128 HydrophobicContact CG2-CH2 4.22Å; V74-W128 HydrophobicContact CG2-CZ2 3.9Å; V74-W128 HydrophobicContact CG2-CZ3 4.2Å; I87-W128 HydrophobicContact CD1-CZ2 4.41Å; Y109-W128 AromaticContact CE1-CE2 3.74Å; Y109-W128 AromaticContact CE1-CZ2 3.57Å; Y109-W128 HydrophobicContact CE1-CZ2 3.57Å; Y109-W128 AromaticContact CE1-NE1 3.6Å; Y109-W128 AromaticContact CZ-CZ2 3.93Å; Y109-W128 AromaticContact CZ-NE1 3.95Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.35Å; N111-W128 HydrophobicContact CB-CH2 4.12Å; N111-W128 HydrophobicContact CB-CZ2 4.08Å; L113-W128 HydrophobicContact CD1-CE3 4.49Å; L113-W128 HydrophobicContact CD1-CH2 3.51Å; L113-W128 HydrophobicContact CD1-CZ3 3.33Å; L113-W128 HydrophobicContact CD2-CH2 4.14Å; L113-W128 HydrophobicContact CG-CH2 3.86Å; L113-W128 HydrophobicContact CG-CZ3 4.14Å; V126-W128 HydrophobicContact CG1-CE3 4.47Å; W128-F139 AromaticContact CD1-CE2 3.81Å; W128-C140 WeakPolarHBondContact O-CA 3.3Å; W128-W141 HydrophobicContact CB-CD2 3.78Å; W128-W141 VanDerWaalsContact CB-CE2 3.43Å; W128-W141 HydrophobicContact CB-CE3 3.97Å; W128-W141 HydrophobicContact CB-CH2 3.6Å; W128-W141 HydrophobicContact CB-CZ2 3.35Å; W128-W141 HydrophobicContact CB-CZ3 3.86Å; W128-W141 AromaticContact CD2-CH2 3.92Å; W128-W141 HydrophobicContact CD2-CH2 3.92Å; W128-W141 AromaticContact CD2-CZ2 3.63Å; W128-W141 HydrophobicContact CD2-CZ2 3.63Å; W128-W141 AromaticContact CE3-CH2 3.44Å; W128-W141 HydrophobicContact CE3-CH2 3.44Å; W128-W141 VanDerWaalsContact CE3-CH2 3.44Å; W128-W141 AromaticContact CE3-CZ2 3.62Å; W128-W141 HydrophobicContact CE3-CZ2 3.62Å; W128-W141 HydrophobicContact CE3-CZ3 4.46Å; W128-W141 AromaticContact CG-CE2 3.92Å; W128-W141 HydrophobicContact CG-CH2 4.02Å; W128-W141 AromaticContact CG-CZ2 3.54Å; W128-W141 HydrophobicContact CG-CZ2 3.54Å; W128-W141 HydrophobicContact CZ3-CH2 4.33Å; W128-W141 PolarHBondContact N-O 2.95Å; W128-W141 PolarHBondContact O-N 2.87Å
129	Q	98.3	Very high	96.8	Very high	33 Å²	33	48.4 Å²	48.4	15%	0.154	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.9	176.9	-53.9	-175.4	18.5	0	0	110.1	A72 V73 E127 Q131 S137 F139 C140	A72-Q129 CarbonylContact C-O 3.59Å; A72-Q129 VanDerWaalsContact CA-O 3.31Å; A72-Q129 WeakPolarHBondContact CA-O 3.1Å; V73-Q129 HydrophobicContact CB-CB 4.43Å; V73-Q129 PolarHBondContact N-O 3.29Å; V73-Q129 PolarHBondContact O-N 2.86Å; E127-Q129 PolarHBondContact OE1-NE2 3.34Å; Q129-Q131 HydrophobicContact CB-CG 4.41Å; Q129-S137 PolarHBondContact OE1-OG 3.38Å; Q129-F139 WeakPolarHBondContact CA-O 3.04Å; Q129-C140 HydrophobicContact CG-CB 4.4Å
130	L	98.5	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114	161.8	-174.2	76.6	0	0	0	107.9	F61 A72 I97 Y109 S137 L138 F139	F61-L130 HydrophobicContact CE1-CD2 3.97Å; F61-L130 HydrophobicContact CE2-CD2 4.47Å; F61-L130 HydrophobicContact CZ-CD2 3.7Å; A72-L130 HydrophobicContact CB-CD1 4.08Å; I97-L130 HydrophobicContact CD1-CD2 3.44Å; I97-L130 VanDerWaalsContact CD1-CD2 3.44Å; Y109-L130 HydrophobicContact CD2-CD1 4.2Å; Y109-L130 HydrophobicContact CE2-CD1 4.11Å; L130-S137 CarbonylContact O-C 3.51Å; L130-S137 WeakPolarHBondContact O-CA 3.06Å; L130-L138 HydrophobicContact CD2-CB 4.46Å; L130-L138 HydrophobicContact CD2-CD1 3.91Å; L130-L138 HydrophobicContact CG-CD1 4.2Å; L130-L138 WeakPolarHBondContact O-CB 3.2Å; L130-L138 PolarHBondContact O-N 2.97Å; L130-F139 HydrophobicContact CB-CD1 3.7Å; L130-F139 HydrophobicContact CB-CD2 4.16Å; L130-F139 HydrophobicContact CB-CE1 3.37Å; L130-F139 HydrophobicContact CB-CE2 3.83Å; L130-F139 HydrophobicContact CB-CG 4.09Å; L130-F139 HydrophobicContact CB-CZ 3.43Å; L130-F139 VanDerWaalsContact CB-CZ 3.43Å; L130-F139 HydrophobicContact CD2-CD1 4Å; L130-F139 HydrophobicContact CD2-CE1 3.48Å; L130-F139 VanDerWaalsContact CD2-CE1 3.48Å; L130-F139 HydrophobicContact CD2-CZ 4.2Å; L130-F139 HydrophobicContact CG-CD1 4.5Å; L130-F139 HydrophobicContact CG-CE1 4.01Å; L130-F139 HydrophobicContact CG-CZ 4.33Å; L130-F139 PolarHBondContact N-O 2.88Å; L130-F139 PolarHBondContact O-N 3.41Å
131	Q	98.4	Very high	97.5	Very high	30 Å²	30	42.8 Å²	42.8	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.1	-175	-64.7	176.2	3	0	0	111.3	S70 K71 Q129 Q136	S70-Q131 CarbonylContact C-O 3.52Å; S70-Q131 VanDerWaalsContact CA-O 3.23Å; S70-Q131 WeakPolarHBondContact CA-O 3.47Å; K71-Q131 PolarHBondContact N-O 2.79Å; K71-Q131 PolarHBondContact O-N 2.89Å; Q129-Q131 HydrophobicContact CB-CG 4.41Å; Q131-Q136 CarbonylContact C-O 3.55Å; Q131-Q136 VanDerWaalsContact CA-O 3.23Å; Q131-Q136 WeakPolarHBondContact CA-O 3.23Å
132	D	97.7	Very high	97.6	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.032	21%	0.205	C	C	.	.			trans	-82.8	-170.2	174.3	74.1	-1.3	0	0	0	112.7	I65 K134 N135 Q136 L138	I65-D132 HydrophobicContact CD1-CB 3.96Å; D132-K134 PolarHBondContact O-N 3.47Å; D132-K134 VanDerWaalsContact OD1-C 3.29Å; D132-K134 VanDerWaalsContact OD1-CA 3.29Å; D132-K134 WeakPolarHBondContact OD1-CA 3.4Å; D132-K134 WeakPolarHBondContact OD1-CB 3.44Å; D132-K134 PolarHBondContact OD1-N 3.42Å; D132-N135 PolarHBondContact O-N 2.78Å; D132-N135 PolarHBondContact OD1-N 2.83Å; D132-Q136 PolarHBondContact N-O 3.1Å; D132-Q136 PolarHBondContact OD1-N 2.89Å; D132-L138 HydrophobicContact CB-CD1 4.4Å; D132-L138 HydrophobicContact CB-CD2 4.21Å; D132-L138 HydrophobicContact CB-CG 4.09Å
133	D	96.8	Very high	97.8	Very high	73 Å²	73	39.5 Å²	39.5	39%	0.39	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.9	177.2	62.1	-24.2	0	0	0	114.3	S67	S67-D133 PolarHBondContact OG-N 2.82Å; S67-D133 VanDerWaalsContact OG-N 3.14Å; S67-D133 PolarHBondContact OG-OD1 3.34Å
134	K	96.9	Very high	97.9	Very high	150 Å²	150	35.7 Å²	35.7	65%	0.652	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	6.2	174.9	-61.8	175.6	-175.9	171.9	0	112.8	D132 Q136	D132-K134 PolarHBondContact O-N 3.47Å; D132-K134 VanDerWaalsContact OD1-C 3.29Å; D132-K134 VanDerWaalsContact OD1-CA 3.29Å; D132-K134 WeakPolarHBondContact OD1-CA 3.4Å; D132-K134 WeakPolarHBondContact OD1-CB 3.44Å; D132-K134 PolarHBondContact OD1-N 3.42Å; K134-Q136 HydrophobicContact CB-CG 4.38Å; K134-Q136 PolarHBondContact O-N 2.81Å
135	N	96.7	Very high	97.8	Very high	114 Å²	114	34.8 Å²	34.8	61%	0.61	18%	0.18	S	C	*	.	S	Bend	trans	62.3	24.4	-173.4	-48.5	-71.6	0	0	0	113.9	D132	D132-N135 PolarHBondContact O-N 2.78Å; D132-N135 PolarHBondContact OD1-N 2.83Å
136	Q	97.6	Very high	97.7	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	18%	0.18	S	C	.	.			trans	-93.6	146.1	170.8	-65.8	-166.7	114.2	0	0	110.4	V30 D31 Q131 D132 K134 L138	V30-Q136 HydrophobicContact CG2-CB 4.01Å; D31-Q136 WeakPolarHBondContact OD2-CB 3.47Å; D31-Q136 PolarHBondContact OD2-NE2 2.81Å; Q131-Q136 CarbonylContact C-O 3.55Å; Q131-Q136 VanDerWaalsContact CA-O 3.23Å; Q131-Q136 WeakPolarHBondContact CA-O 3.23Å; D132-Q136 PolarHBondContact N-O 3.1Å; D132-Q136 PolarHBondContact OD1-N 2.89Å; K134-Q136 HydrophobicContact CB-CG 4.38Å; K134-Q136 PolarHBondContact O-N 2.81Å; Q136-L138 PolarHBondContact O-N 3.02Å
137	S	97.9	Very high	97.6	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.3	-174.3	-65.5	0	0	0	0	111.7	G28 V30 D31 Q129 L130	G28-S137 VanDerWaalsContact O-CB 3.3Å; G28-S137 WeakPolarHBondContact O-CB 3.46Å; V30-S137 PolarHBondContact N-O 2.72Å; D31-S137 PolarHBondContact N-O 3.47Å; Q129-S137 PolarHBondContact OE1-OG 3.38Å; L130-S137 CarbonylContact O-C 3.51Å; L130-S137 WeakPolarHBondContact O-CA 3.06Å
138	L	98.3	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	-38.4	163.4	-65.4	168.7	0	0	0	110.4	D31 G32 F61 I65 I101 L130 D132 Q136	D31-L138 HydrophobicContact CB-CD2 4.2Å; G32-L138 CarbonylContact C-O 3.39Å; G32-L138 WeakPolarHBondContact CA-O 3.05Å; G32-L138 PolarHBondContact N-O 3.34Å; F61-L138 HydrophobicContact CE2-CB 4.03Å; F61-L138 HydrophobicContact CE2-CD1 4.44Å; I65-L138 HydrophobicContact CD1-CD2 3.78Å; I65-L138 HydrophobicContact CG1-CD2 3.96Å; I101-L138 HydrophobicContact CD1-CD1 3.55Å; L130-L138 HydrophobicContact CD2-CB 4.46Å; L130-L138 HydrophobicContact CD2-CD1 3.91Å; L130-L138 HydrophobicContact CG-CD1 4.2Å; L130-L138 WeakPolarHBondContact O-CB 3.2Å; L130-L138 PolarHBondContact O-N 2.97Å; D132-L138 HydrophobicContact CB-CD1 4.4Å; D132-L138 HydrophobicContact CB-CD2 4.21Å; D132-L138 HydrophobicContact CB-CG 4.09Å; Q136-L138 PolarHBondContact O-N 3.02Å
139	F	98.5	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.7	165.3	66	-108.6	0	0	0	111.6	S29 I34 V59 F61 Y109 W128 Q129 L130 W141	S29-F139 WeakPolarHBondContact OG-CA 3.08Å; I34-F139 HydrophobicContact CD1-CB 3.95Å; I34-F139 HydrophobicContact CG1-CB 3.54Å; I34-F139 HydrophobicContact CG1-CG 4.38Å; V59-F139 HydrophobicContact CB-CE1 4.24Å; V59-F139 HydrophobicContact CB-CE2 4.46Å; V59-F139 HydrophobicContact CB-CZ 4Å; V59-F139 HydrophobicContact CG1-CD1 4.15Å; V59-F139 HydrophobicContact CG1-CD2 4.27Å; V59-F139 HydrophobicContact CG1-CE1 3.94Å; V59-F139 HydrophobicContact CG1-CE2 4.11Å; V59-F139 HydrophobicContact CG1-CG 4.3Å; V59-F139 HydrophobicContact CG1-CZ 3.93Å; V59-F139 HydrophobicContact CG2-CE2 4.26Å; V59-F139 HydrophobicContact CG2-CZ 4.1Å; F61-F139 HydrophobicContact CB-CD1 4.1Å; F61-F139 AromaticContact CD1-CD1 3.6Å; F61-F139 HydrophobicContact CD1-CD1 3.6Å; F61-F139 AromaticContact CD1-CE1 3.67Å; F61-F139 HydrophobicContact CD1-CE1 3.67Å; F61-F139 HydrophobicContact CD2-CD1 4.02Å; F61-F139 AromaticContact CE1-CD1 3.98Å; F61-F139 HydrophobicContact CE1-CD1 3.98Å; F61-F139 AromaticContact CE1-CE1 3.8Å; F61-F139 HydrophobicContact CE1-CE1 3.8Å; F61-F139 HydrophobicContact CE2-CD1 4.36Å; F61-F139 AromaticContact CG-CD1 3.63Å; F61-F139 HydrophobicContact CG-CD1 3.63Å; F61-F139 HydrophobicContact CG-CE1 4.2Å; F61-F139 HydrophobicContact CZ-CD1 4.34Å; F61-F139 HydrophobicContact CZ-CE1 4.41Å; Y109-F139 AromaticContact CD1-CZ 3.96Å; Y109-F139 HydrophobicContact CD1-CZ 3.96Å; Y109-F139 HydrophobicContact CG-CE1 4.4Å; Y109-F139 HydrophobicContact CG-CZ 4.12Å; W128-F139 AromaticContact CD1-CE2 3.81Å; Q129-F139 WeakPolarHBondContact CA-O 3.04Å; L130-F139 HydrophobicContact CB-CD1 3.7Å; L130-F139 HydrophobicContact CB-CD2 4.16Å; L130-F139 HydrophobicContact CB-CE1 3.37Å; L130-F139 HydrophobicContact CB-CE2 3.83Å; L130-F139 HydrophobicContact CB-CG 4.09Å; L130-F139 HydrophobicContact CB-CZ 3.43Å; L130-F139 VanDerWaalsContact CB-CZ 3.43Å; L130-F139 HydrophobicContact CD2-CD1 4Å; L130-F139 HydrophobicContact CD2-CE1 3.48Å; L130-F139 VanDerWaalsContact CD2-CE1 3.48Å; L130-F139 HydrophobicContact CD2-CZ 4.2Å; L130-F139 HydrophobicContact CG-CD1 4.5Å; L130-F139 HydrophobicContact CG-CE1 4.01Å; L130-F139 HydrophobicContact CG-CZ 4.33Å; L130-F139 PolarHBondContact N-O 2.88Å; L130-F139 PolarHBondContact O-N 3.41Å; F139-W141 AromaticContact CD2-CD1 3.63Å; F139-W141 AromaticContact CD2-NE1 3.76Å; F139-W141 AromaticContact CE2-CD1 3.86Å; F139-W141 AromaticContact CE2-NE1 3.47Å
140	C	98.6	Very high	95.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	122.9	172.5	-168.4	0	0	0	0	109.2	D26 C27 S29 W128 Q129	D26-C140 WeakPolarHBondContact CA-O 3.41Å; C27-C140 VanDerWaalsContact C-SG 3.51Å; C27-C140 HydrophobicContact CB-CB 4.18Å; C27-C140 WeakPolarHBondContact CB-SG 3.3Å; C27-C140 PolarHBondContact N-O 2.82Å; C27-C140 VanDerWaalsContact N-O 3.15Å; C27-C140 VanDerWaalsContact SG-CA 3.6Å; C27-C140 WeakPolarHBondContact SG-CB 3.46Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 3.41Å; S29-C140 PolarHBondContact OG-N 3.27Å; S29-C140 PolarHBondContact OG-O 3.49Å; W128-C140 WeakPolarHBondContact O-CA 3.3Å; Q129-C140 HydrophobicContact CG-CB 4.4Å
141	W	98.5	Very high	94.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.6	171.9	53.3	-98.5	0	0	0	113.4	F24 K25 C27 I34 V37 V57 V59 V126 E127 W128 F139 I143	F24-W141 HydrophobicContact CB-CB 4.16Å; F24-W141 HydrophobicContact CD2-CB 3.73Å; F24-W141 HydrophobicContact CG-CB 4.2Å; K25-W141 CarbonylContact O-C 3.53Å; K25-W141 WeakPolarHBondContact O-CA 3.47Å; C27-W141 VanDerWaalsContact SG-C 3.58Å; C27-W141 PolarHBondContact SG-N 2.82Å; I34-W141 HydrophobicContact CD1-CB 3.86Å; I34-W141 HydrophobicContact CD1-CG 4.28Å; V37-W141 HydrophobicContact CG1-CD2 4.28Å; V37-W141 HydrophobicContact CG1-CZ2 4.18Å; V37-W141 HydrophobicContact CG2-CD2 4.4Å; V37-W141 HydrophobicContact CG2-CG 4.04Å; V57-W141 HydrophobicContact CG1-CH2 4.23Å; V57-W141 HydrophobicContact CG1-CZ2 3.82Å; V59-W141 HydrophobicContact CG2-CZ2 4.08Å; V126-W141 HydrophobicContact CG1-CH2 4.46Å; V126-W141 HydrophobicContact CG1-CZ3 4.1Å; E127-W141 CarbonylContact C-O 3.53Å; E127-W141 WeakPolarHBondContact CA-O 2.93Å; W128-W141 HydrophobicContact CB-CD2 3.78Å; W128-W141 VanDerWaalsContact CB-CE2 3.43Å; W128-W141 HydrophobicContact CB-CE3 3.97Å; W128-W141 HydrophobicContact CB-CH2 3.6Å; W128-W141 HydrophobicContact CB-CZ2 3.35Å; W128-W141 HydrophobicContact CB-CZ3 3.86Å; W128-W141 AromaticContact CD2-CH2 3.92Å; W128-W141 HydrophobicContact CD2-CH2 3.92Å; W128-W141 AromaticContact CD2-CZ2 3.63Å; W128-W141 HydrophobicContact CD2-CZ2 3.63Å; W128-W141 AromaticContact CE3-CH2 3.44Å; W128-W141 HydrophobicContact CE3-CH2 3.44Å; W128-W141 VanDerWaalsContact CE3-CH2 3.44Å; W128-W141 AromaticContact CE3-CZ2 3.62Å; W128-W141 HydrophobicContact CE3-CZ2 3.62Å; W128-W141 HydrophobicContact CE3-CZ3 4.46Å; W128-W141 AromaticContact CG-CE2 3.92Å; W128-W141 HydrophobicContact CG-CH2 4.02Å; W128-W141 AromaticContact CG-CZ2 3.54Å; W128-W141 HydrophobicContact CG-CZ2 3.54Å; W128-W141 HydrophobicContact CZ3-CH2 4.33Å; W128-W141 PolarHBondContact N-O 2.95Å; W128-W141 PolarHBondContact O-N 2.87Å; F139-W141 AromaticContact CD2-CD1 3.63Å; F139-W141 AromaticContact CD2-NE1 3.76Å; F139-W141 AromaticContact CE2-CD1 3.86Å; F139-W141 AromaticContact CE2-NE1 3.47Å; W141-I143 HydrophobicContact CE3-CD1 4.48Å; W141-I143 HydrophobicContact CE3-CG1 4.29Å; W141-I143 HydrophobicContact CE3-CG2 3.92Å; W141-I143 HydrophobicContact CH2-CD1 4.33Å; W141-I143 HydrophobicContact CZ3-CD1 3.73Å; W141-I143 HydrophobicContact CZ3-CG1 3.77Å; W141-I143 HydrophobicContact CZ3-CG2 4.19Å
142	E	98.4	Very high	92.1	Very high	32 Å²	32	52.2 Å²	52.2	15%	0.15	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.5	173.4	-75.3	171.4	-165.3	0	0	110.4	F24 K25 C27 V125 V126 E127	F24-E142 WeakPolarHBondContact CA-O 2.94Å; K25-E142 HydrophobicContact CB-CB 4.27Å; K25-E142 PolarHBondContact N-O 3.38Å; K25-E142 IonicContact NZ-OE1 2.76Å; K25-E142 IonicContact NZ-OE2 3.74Å; K25-E142 PolarHBondContact NZ-OE2 3.2Å; K25-E142 PolarHBondContact O-N 2.8Å; C27-E142 HydrophobicContact CB-CG 3.98Å; V125-E142 HydrophobicContact CG1-CB 3.78Å; V125-E142 HydrophobicContact CG1-CG 4.02Å; V126-E142 CarbonylContact O-C 3.56Å; V126-E142 WeakPolarHBondContact O-CA 3.34Å; E127-E142 HydrophobicContact CB-CG 4.14Å; E127-E142 HydrophobicContact CG-CG 4.15Å
143	I	97.6	Very high	89.7	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.046	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140	168.9	68.7	-176.9	0	0	0	111.2	V22 F24 V39 V125 V126 W141 V145	V22-I143 HydrophobicContact CG2-CD1 4.49Å; V22-I143 HydrophobicContact CG2-CG2 4.21Å; F24-I143 HydrophobicContact CB-CG2 3.63Å; V39-I143 HydrophobicContact CG2-CD1 4.06Å; V125-I143 WeakPolarHBondContact CA-O 3.39Å; V126-I143 HydrophobicContact CB-CG1 4.3Å; V126-I143 PolarHBondContact N-O 3.47Å; V126-I143 PolarHBondContact O-N 3.48Å; W141-I143 HydrophobicContact CE3-CD1 4.48Å; W141-I143 HydrophobicContact CE3-CG1 4.29Å; W141-I143 HydrophobicContact CE3-CG2 3.92Å; W141-I143 HydrophobicContact CH2-CD1 4.33Å; W141-I143 HydrophobicContact CZ3-CD1 3.73Å; W141-I143 HydrophobicContact CZ3-CG1 3.77Å; W141-I143 HydrophobicContact CZ3-CG2 4.19Å; I143-V145 HydrophobicContact CD1-CG1 4.08Å; I143-V145 HydrophobicContact CG1-CG1 3.87Å
144	P	97.4	Very high	87.5	Confident	75 Å²	75	57.8 Å²	57.8	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.3	169.9	30.4	-32.7	0	0	0	110.4	P46	P46-P144 HydrophobicContact CB-CB 4.18Å; P46-P144 HydrophobicContact CB-CG 4.22Å; P46-P144 VanDerWaalsContact CB-O 3.25Å; P46-P144 WeakPolarHBondContact CB-O 3.27Å
145	V	96.4	Very high	85.1	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	160	175	-54.2	0	0	0	0	111	C47 L49 K123 L124 V126 I143	C47-V145 HydrophobicContact CB-CG1 4.37Å; L49-V145 HydrophobicContact CD1-CB 4.13Å; L49-V145 HydrophobicContact CD1-CG1 4.28Å; L49-V145 HydrophobicContact CD1-CG2 4.22Å; L49-V145 HydrophobicContact CG-CB 4.35Å; K123-V145 WeakPolarHBondContact CA-O 3.46Å; L124-V145 HydrophobicContact CD1-CG2 4.36Å; L124-V145 HydrophobicContact CD2-CG2 3.85Å; L124-V145 HydrophobicContact CG-CG2 3.72Å; L124-V145 PolarHBondContact N-O 2.94Å; L124-V145 PolarHBondContact O-N 3.37Å; L124-V145 VanDerWaalsContact O-O 3.09Å; V126-V145 HydrophobicContact CG2-CG1 4.05Å; V126-V145 HydrophobicContact CG2-CG2 3.62Å; I143-V145 HydrophobicContact CD1-CG1 4.08Å; I143-V145 HydrophobicContact CG1-CG1 3.87Å
146	Q	95.9	Very high	82.9	Confident	59 Å²	59	60.2 Å²	60.2	28%	0.276	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.5	172.2	-173.5	172.6	-8.5	0	0	109.8	C47 Q48 L49 K123 V148	C47-Q146 PolarHBondContact O-N 3.45Å; Q48-Q146 CarbonylContact C-O 3.59Å; Q48-Q146 WeakPolarHBondContact CA-O 3.42Å; L49-Q146 PolarHBondContact N-O 3.2Å; K123-Q146 HydrophobicContact CG-CB 4.14Å; K123-Q146 HydrophobicContact CG-CG 3.82Å; Q146-V148 HydrophobicContact CG-CG1 3.85Å; Q146-V148 PolarHBondContact O-N 3.3Å
147	I	94.9	Very high	80.3	Confident	20 Å²	20	61.1 Å²	61.1	10%	0.103	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.8	170.2	-58.7	176.2	0	0	0	107.7	L49 K51 V115 P120 S121 I122 L124	L49-I147 WeakPolarHBondContact O-CA 3.37Å; K51-I147 HydrophobicContact CD-CG2 4.4Å; K51-I147 HydrophobicContact CG-CG2 3.73Å; V115-I147 HydrophobicContact CG1-CG2 4.19Å; P120-I147 WeakPolarHBondContact O-CB 3.38Å; P120-I147 VanDerWaalsContact O-CG2 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.45Å; S121-I147 CarbonylContact C-O 3.52Å; S121-I147 VanDerWaalsContact CA-O 3.23Å; S121-I147 WeakPolarHBondContact CA-O 3.28Å; I122-I147 PolarHBondContact N-O 3.44Å; I122-I147 PolarHBondContact O-N 3.27Å; L124-I147 HydrophobicContact CD2-CD1 3.88Å; L124-I147 HydrophobicContact CD2-CG1 3.97Å
148	V	93.7	Very high	77.5	Confident	22 Å²	22	64.2 Å²	64.2	13%	0.133	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.3	-179.1	-61.1	0	0	0	0	110	Q48 L49 S50 K51 Q146	Q48-V148 HydrophobicContact CB-CG1 4.33Å; Q48-V148 HydrophobicContact CB-CG2 4.15Å; Q48-V148 HydrophobicContact CG-CG1 4.45Å; L49-V148 PolarHBondContact O-N 2.94Å; S50-V148 WeakPolarHBondContact CA-O 3.4Å; K51-V148 WeakPolarHBondContact CG-O 3.38Å; K51-V148 PolarHBondContact N-O 3.35Å; Q146-V148 HydrophobicContact CG-CG1 3.85Å; Q146-V148 PolarHBondContact O-N 3.3Å
149	F	87.4	Confident	74.8	Confident	137 Å²	137	72.1 Å²	72.1	60%	0.601	40%	0.404	S	S	*	.			trans	-61.8	138.1	163.8	-80	-76.4	0	0	0	108.1	K51 S121 C151	K51-F149 HydrophobicContact CD-CD1 4.01Å; K51-F149 HydrophobicContact CD-CE1 4.04Å; K51-F149 VanDerWaalsContact NZ-CE1 3.34Å; S121-F149 WeakPolarHBondContact OG-CD2 3.37Å; S121-F149 WeakPolarHBondContact OG-CE2 3.35Å; F149-C151 PolarHBondContact O-N 2.73Å
150	P	76.3	Confident	72.5	Confident	42 Å²	42	79.7 Å²	79.7	27%	0.273	44%	0.444	S	S	.	.			trans	-56.6	116.4	173.9	25.8	-33.9	0	0	0	107	K51 L152	K51-P150 WeakPolarHBondContact O-CG 3.37Å; P150-L152 HydrophobicContact CB-CG 4.26Å; P150-L152 HydrophobicContact CG-CD1 4.45Å; P150-L152 PolarHBondContact O-N 2.92Å
151	C	62.5	Low	69.8	Low	120 Å²	120	84 Å²	84	81%	0.811	48%	0.48	S	S	*	.			trans	-68.1	78.7	163	-83.3	0	0	0	0	106	F149 F153	F149-C151 PolarHBondContact O-N 2.73Å; C151-F153 PolarHBondContact O-N 2.76Å
152	L	55.3	Low	67.1	Low	128 Å²	128	89.5 Å²	89.5	67%	0.67	51%	0.514	S	S	*	.			trans	-63.6	3.3	167	-80.6	164.4	0	0	0	111.4	P150	P150-L152 HydrophobicContact CB-CG 4.26Å; P150-L152 HydrophobicContact CG-CD1 4.45Å; P150-L152 PolarHBondContact O-N 2.92Å
153	F	48.9	Very low	64.6	Low	68 Å²	68	96.9 Å²	96.9	30%	0.298	55%	0.548	S	S	.	.			trans	-147.9	103	-170.5	-70.3	-89.1	0	0	0	114.5	C151 R156 C157 P158	C151-F153 PolarHBondContact O-N 2.76Å; F153-R156 WeakPolarHBondContact CB-O 3.38Å; F153-R156 HydrophobicContact CD1-CB 3.07Å; F153-R156 HydrophobicContact CD1-CG 4.48Å; F153-R156 WeakPolarHBondContact CD1-O 3.1Å; F153-R156 HydrophobicContact CE1-CB 3.18Å; F153-R156 HydrophobicContact CE1-CG 4.48Å; F153-R156 HydrophobicContact CG-CB 4.18Å; F153-R156 WeakPolarHBondContact CG-O 2.72Å; F153-R156 HydrophobicContact CZ-CB 4.47Å; F153-C157 VanDerWaalsContact CD2-CA 3.44Å; F153-C157 HydrophobicContact CG-CB 4.49Å; F153-C157 VanDerWaalsContact CG-N 3.31Å; F153-P158 HydrophobicContact CD2-CG 4.07Å; F153-P158 HydrophobicContact CE2-CB 4.13Å; F153-P158 HydrophobicContact CE2-CG 3.14Å; F153-P158 HydrophobicContact CZ-CB 3.88Å; F153-P158 HydrophobicContact CZ-CG 3.38Å
154	S	48.9	Very low	61.9	Low	128 Å²	128	105.6 Å²	105.6	90%	0.895	59%	0.588	S	S	*	*	S	Bend	trans	-66.3	119.3	133.7	-167.7	0	0	0	0	108	R156	S154-R156 PolarHBondContact O-N 3.22Å
155	A	48.5	Very low	59	Low	104 Å²	104	112 Å²	112	86%	0.86	60%	0.603	S	S	*	*	S	Bend	trans	65.2	-7.7	172.7	0	0	0	0	0	122.9
156	R	48.8	Very low	56.4	Low	211 Å²	211	117 Å²	117	80%	0.796	64%	0.637	S	S	*	*			trans	-118.7	-166.5	164.3	-74.5	167.4	-158.9	-160.5	1.8	107.6	F153 S154	F153-R156 WeakPolarHBondContact CB-O 3.38Å; F153-R156 HydrophobicContact CD1-CB 3.07Å; F153-R156 HydrophobicContact CD1-CG 4.48Å; F153-R156 WeakPolarHBondContact CD1-O 3.1Å; F153-R156 HydrophobicContact CE1-CB 3.18Å; F153-R156 HydrophobicContact CE1-CG 4.48Å; F153-R156 HydrophobicContact CG-CB 4.18Å; F153-R156 WeakPolarHBondContact CG-O 2.72Å; F153-R156 HydrophobicContact CZ-CB 4.47Å; S154-R156 PolarHBondContact O-N 3.22Å
157	C	43.1	Very low	53.7	Low	103 Å²	103	122.4 Å²	122.4	70%	0.696	67%	0.667	S	S	*	*			trans	-168.7	124.9	168.6	-140	0	0	0	0	99.8	F153 M159	F153-C157 VanDerWaalsContact CD2-CA 3.44Å; F153-C157 HydrophobicContact CG-CB 4.49Å; F153-C157 VanDerWaalsContact CG-N 3.31Å; C157-M159 PolarHBondContact O-N 3.16Å
158	P	39.9	Very low	51	Low	79 Å²	79	129 Å²	129	51%	0.513	70%	0.697	S	S	.	*			trans	-87.5	89.4	173.6	34	-10.4	0	0	0	102.3	F153 L160	F153-P158 HydrophobicContact CD2-CG 4.07Å; F153-P158 HydrophobicContact CE2-CB 4.13Å; F153-P158 HydrophobicContact CE2-CG 3.14Å; F153-P158 HydrophobicContact CZ-CB 3.88Å; F153-P158 HydrophobicContact CZ-CG 3.38Å; P158-L160 PolarHBondContact O-N 2.76Å; P158-L160 VanDerWaalsContact O-N 3.16Å
159	M	42.2	Very low	48.3	Very low	166 Å²	166	137.1 Å²	137.1	82%	0.818	73%	0.731	S	S	*	*			trans	-25.7	127.6	148.4	-75.8	-72.1	-168.1	0	0	108.5	C157 A161	C157-M159 PolarHBondContact O-N 3.16Å; M159-A161 PolarHBondContact O-N 3.03Å
160	L	49.9	Very low	45.9	Very low	159 Å²	159	139 Å²	139	83%	0.832	74%	0.742	S	S	*	*			trans	-27.7	101.8	170.9	-86	79.5	0	0	0	109.8	P158 T162	P158-L160 PolarHBondContact O-N 2.76Å; P158-L160 VanDerWaalsContact O-N 3.16Å; L160-T162 PolarHBondContact O-N 2.76Å
161	A	41.7	Very low	44.1	Very low	94 Å²	94	145.8 Å²	145.8	78%	0.777	77%	0.772	S	S	*	*			trans	-88.6	69.7	174.7	0	0	0	0	0	106.5	M159	M159-A161 PolarHBondContact O-N 3.03Å
162	T	40.6	Very low	43.3	Very low	117 Å²	117	148.6 Å²	148.6	72%	0.718	77%	0.773	S	S	*	*			trans	-51.6	136.3	153.7	5.7	0	0	0	0	108	L160 H164	L160-T162 PolarHBondContact O-N 2.76Å; T162-H164 PolarHBondContact O-N 3.06Å
163	E	47	Very low	42.6	Very low	188 Å²	188	149.2 Å²	149.2	88%	0.879	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	16.4	-152.7	-120.4	-176.8	124.9	0	0	119.7
164	H	40.2	Very low	42	Very low	191 Å²	191	155.9 Å²	155.9	88%	0.884	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	10.8	-170.5	-86.9	-63.3	0	0	0	117.3	T162	T162-H164 PolarHBondContact O-N 3.06Å
165	R	37.4	Very low	41.3	Very low	209 Å²	209	154.7 Å²	154.7	79%	0.789	80%	0.803	S	S	*	*			trans	-130.6	28.1	179.9	-148.6	177.4	-86.6	-126.2	1.9	115.5
166	C	42.2	Very low	40.7	Very low	112 Å²	112	155.8 Å²	155.8	76%	0.757	79%	0.794	S	S	*	*			trans	-87.4	-6.6	174	-135.9	0	0	0	0	113.8
167	L	37.5	Very low	40	Very low	172 Å²	172	156.4 Å²	156.4	90%	0.901	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-10	-176.8	-87.2	166.6	0	0	0	115.3
168	Q	38.9	Very low	39.6	Very low	158 Å²	158	161 Å²	161	74%	0.738	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-6.3	-176.3	-112.6	178.9	-38.5	0	0	115.1
169	F	37.1	Very low	39.1	Very low	194 Å²	194	167.7 Å²	167.7	85%	0.851	82%	0.82	S	S	*	*	S	Bend	trans	-113.9	15.1	-173.5	-109.6	-84.8	0	0	0	115.3
170	Q	37.9	Very low	39.4	Very low	176 Å²	176	165.2 Å²	165.2	82%	0.822	82%	0.819	S	S	*	*	S	Bend	trans	-101.3	4.6	176.2	-81.3	-73.6	-86.4	0	0	114.9
171	M	37.2	Very low	38.8	Very low	185 Å²	185	168.2 Å²	168.2	91%	0.911	82%	0.819	S	S	*	*	S	Bend	trans	-115.6	33.4	179.9	-71.6	-164.2	-168.7	0	0	114.7
172	E	46.1	Very low	38.9	Very low	178 Å²	178	175.6 Å²	175.6	83%	0.832	83%	0.827	S	S	*	*	S	Bend	trans	-141.4	94.3	158.3	-87.3	-151.9	118.4	0	0	108.4
173	T	41.2	Very low	39.4	Very low	141 Å²	141	173.4 Å²	173.4	87%	0.865	83%	0.827	S	S	*	*	S	Bend	trans	146.5	61.5	153.7	48.3	0	0	0	0	110.7
174	K	36.7	Very low	38.9	Very low	209 Å²	209	173.4 Å²	173.4	91%	0.909	83%	0.83	S	S	*	*			trans	-146.2	129.7	142.8	-103.7	179.7	-171.1	-179.4	0	109.3
175	S	33.3	Very low	39.1	Very low	103 Å²	103	168.5 Å²	168.5	72%	0.72	82%	0.817	S	S	*	*			trans	108	106.4	149.7	-131.2	0	0	0	0	117.2
176	L	36.2	Very low	39.4	Very low	127 Å²	127	164.6 Å²	164.6	67%	0.665	82%	0.816	S	S	*	*				114.5	97	129.3	-69.5	148.1	0	0	0	118.4
177	R	34	Very low	39.4	Very low	223 Å²	223	166.9 Å²	166.9	84%	0.842	81%	0.808	S	S	*	*				46	110.9	112.7	-70.1	-166.9	-104.8	-129.8	-1.7	117.1	W179	R177-W179 PolarHBondContact O-N 3.01Å
178	F	34.8	Very low	40.2	Very low	200 Å²	200	164.4 Å²	164.4	88%	0.877	80%	0.8	S	S	*	*			trans	-5.9	110.9	131.9	-140.7	-101.4	0	0	0	114.3
179	W	29.2	Very low	40.1	Very low	219 Å²	219	162.8 Å²	162.8	83%	0.83	80%	0.804	S	S	*	*			trans	-162.6	124.6	132.1	-110.6	39.5	0	0	0	109.3	R177 R181	R177-W179 PolarHBondContact O-N 3.01Å; W179-R181 PolarHBondContact O-N 3.34Å
180	S	48.7	Very low	40.5	Very low	114 Å²	114	158.4 Å²	158.4	80%	0.797	80%	0.797	S	S	*	*			trans	-56.6	120	167.6	173.4	0	0	0	0	110.1
181	R	36.7	Very low	40.9	Very low	223 Å²	223	156.6 Å²	156.6	84%	0.842	80%	0.801	S	S	*	*			trans	-145.1	132.6	152	-84.4	-162.5	176	-154.4	-1.8	110.8	W179	W179-R181 PolarHBondContact O-N 3.34Å
182	R	43.9	Very low	41.8	Very low	249 Å²	249	151.6 Å²	151.6	94%	0.94	79%	0.788	S	S	*	*			trans	-53.1	148.8	176	-69.1	172	-170.4	-178.9	1.2	112.6
183	G	51.6	Low	42.1	Very low	70 Å²	70	147.4 Å²	147.4	72%	0.722	79%	0.793	S	S	*	*			trans	80.4	93.9	147.1	0	0	0	0	0	115
184	M	35.4	Very low	42.3	Very low	189 Å²	189	145 Å²	145	93%	0.931	79%	0.787	S	S	*	*			trans	-155.5	122.5	148.5	-138.3	78.6	161.1	0	0	109.3
185	S	44.6	Very low	42.6	Very low	87 Å²	87	145 Å²	145	61%	0.608	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-60.4	134.9	-178.7	171.9	0	0	0	0	112.5
186	V	44.5	Very low	43.1	Very low	127 Å²	127	151.3 Å²	151.3	77%	0.77	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.6	119.8	172	-179.1	0	0	0	0	108.5	V188	V186-V188 HydrophobicContact CG1-CG2 4.39Å
187	R	41.6	Very low	43.8	Very low	160 Å²	160	156.5 Å²	156.5	60%	0.604	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-99.1	120.5	167.2	-86.1	-170.5	-78.9	-164.5	-1.7	110
188	V	54.1	Low	44.6	Very low	121 Å²	121	152 Å²	152	73%	0.733	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.8	136.7	171.3	-176.1	0	0	0	0	108.4	V186	V186-V188 HydrophobicContact CG1-CG2 4.39Å
189	P	38.1	Very low	45.3	Very low	124 Å²	124	146.9 Å²	146.9	81%	0.805	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-73.5	130.2	173.7	-4.6	21.3	0	0	0	110
190	S	45.9	Very low	46.2	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	79%	0.788	S	S	*	*			trans	-104.1	151.6	167	-152.5	0	0	0	0	109.1	A192	S190-A192 PolarHBondContact O-N 3.35Å
191	P	45.6	Very low	46	Very low	139 Å²	139	150.2 Å²	150.2	90%	0.903	81%	0.811	S	S	*	*	S	Bend	trans	-74.2	4.3	-163.8	-13.8	29.5	0	0	0	115.9
192	A	55.3	Low	46.5	Very low	79 Å²	79	146.6 Å²	146.6	65%	0.653	81%	0.809	S	S	*	*	S	Bend	trans	-129.5	105.9	-177.6	0	0	0	0	0	108.9	S190 A194	S190-A192 PolarHBondContact O-N 3.35Å; A192-A194 PolarHBondContact O-N 2.8Å
193	G	52.2	Low	46.6	Very low	91 Å²	91	141.2 Å²	141.2	94%	0.938	80%	0.802	S	S	*	*			trans	-57.5	85.1	-171	0	0	0	0	0	115.9
194	A	46.6	Very low	46.4	Very low	90 Å²	90	145.1 Å²	145.1	74%	0.744	81%	0.807	S	S	*	*			trans	-144.9	124.6	165	0	0	0	0	0	110.7	A192	A192-A194 PolarHBondContact O-N 2.8Å
195	W	42.4	Very low	47	Very low	208 Å²	208	142.5 Å²	142.5	79%	0.788	80%	0.8	S	S	*	*			trans	-83.2	117.5	178.6	-65.1	86.6	0	0	0	110.8
196	R	44.3	Very low	47.2	Very low	237 Å²	237	146 Å²	146	89%	0.894	81%	0.812	S	S	*	*			trans	-112.2	136.9	157.1	-79.1	-170.9	-168.3	-121.3	2.1	109.9
197	R	49.8	Very low	47.4	Very low	235 Å²	235	147.3 Å²	147.3	89%	0.887	81%	0.814	S	S	*	*			trans	-91.4	129.2	172.8	-76.2	-174.4	-97	-165.1	-5	108.6
198	T	52	Low	47.8	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	83%	0.829	S	S	*	*			trans	-125.4	138.1	163.2	35.3	0	0	0	0	110
199	A	48.7	Very low	47.3	Very low	94 Å²	94	148.3 Å²	148.3	78%	0.777	84%	0.837	S	S	*	*			trans	-83.3	162.5	-171.3	0	0	0	0	0	112.2
200	P	48	Very low	48	Very low	112 Å²	112	150.3 Å²	150.3	73%	0.727	84%	0.84	S	S	*	*			trans	-86.6	150.9	-169.9	33.9	-31.3	0	0	0	113.1
201	F	45.8	Very low	48.2	Very low	290 Å²	290	154.8 Å²	154.8	100%	1.272	85%	0.852	S	S	*	*			trans	-109.1	0	145.8	-84.2	-80.2	0	0	0	107.7

Retrieved 201 of 201 residues in 225.8 ms (Link to these results)

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