A0A075B7D0_HUMAN Loading...

Immunoglobulin heavy variable 1/OR15-1 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7D0, Species HUMAN (Homo sapiens, Human), Gene IGHV1OR15-1, Length 117 aa.

						>A0A075B7D0_HUMAN|A0A075B7D0|IGHV1OR15-1
MDWTWRILFLVAAATGAHSQVQLVQSGAEVKKPGASVKVSCKASGYIFTDYYMHWVRQAPGQELGWMGRINPNSGGTNYAQKFQGRVTMTRDTSISTAYTELSSLRSEDTATYYCAR
					

Structure Viewer

Loading PAE data...

(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	50.2	Low	60.6	Low	218 Å²	218	145.8 Å²	145.8	100%	1.074	69%	0.688	S	S	*	*				0	84.7	0	-158.6	173.2	91.2	0	0	105.1
2	D	65.4	Low	60.6	Low	121 Å²	121	140.3 Å²	140.3	65%	0.647	69%	0.685	S	S	*	*			trans	-92.3	146.7	-140.7	-57.1	-25.5	0	0	0	112.7	T4 W5	D2-T4 PolarHBondContact O-N 2.86Å; D2-W5 PolarHBondContact O-N 3.26Å
3	W	61.6	Low	60.6	Low	213 Å²	213	136.8 Å²	136.8	81%	0.807	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.5	-32.9	-174.4	-167.2	-34.6	0	0	0	112.9	W5 R6 I7	W3-W5 PolarHBondContact O-N 2.97Å; W3-W5 VanDerWaalsContact O-N 3.09Å; W3-R6 WeakPolarHBondContact O-CB 3.41Å; W3-R6 PolarHBondContact O-N 2.9Å; W3-I7 PolarHBondContact O-N 3.24Å
4	T	65.7	Low	60.5	Low	101 Å²	101	133.3 Å²	133.3	62%	0.62	70%	0.695	S	S	*	*	H	α-helix	trans	-49.6	-35.6	176	24.7	0	0	0	0	113.8	D2 I7 L8	D2-T4 PolarHBondContact O-N 2.86Å; T4-I7 PolarHBondContact O-N 3.18Å; T4-L8 PolarHBondContact O-N 3.1Å
5	W	61.5	Low	60.6	Low	173 Å²	173	133.7 Å²	133.7	66%	0.655	71%	0.706	S	S	*	*	H	α-helix	trans	-71	-32.1	177.6	-163.9	-88.2	0	0	0	112.9	D2 W3 I7 L8 F9	D2-W5 PolarHBondContact O-N 3.26Å; W3-W5 PolarHBondContact O-N 2.97Å; W3-W5 VanDerWaalsContact O-N 3.09Å; W5-I7 VanDerWaalsContact C-N 3.34Å; W5-I7 PolarHBondContact O-N 3.09Å; W5-L8 PolarHBondContact O-N 3.47Å; W5-F9 AromaticContact CD1-CD2 3.6Å; W5-F9 AromaticContact CD1-CE2 3.6Å; W5-F9 HydrophobicContact CD2-CE2 4.23Å; W5-F9 AromaticContact CE2-CE2 3.33Å; W5-F9 HydrophobicContact CG-CD2 4.39Å; W5-F9 HydrophobicContact CG-CE2 4.38Å; W5-F9 AromaticContact CZ2-CE2 3.66Å; W5-F9 HydrophobicContact CZ2-CE2 3.66Å; W5-F9 HydrophobicContact CZ2-CZ 4.2Å; W5-F9 AromaticContact NE1-CD2 3.43Å; W5-F9 AromaticContact NE1-CE2 2.9Å; W5-F9 AromaticContact NE1-CZ 3.71Å; W5-F9 WeakPolarHBondContact O-CD2 3.28Å; W5-F9 PolarHBondContact O-N 3.42Å
6	R	64	Low	60.5	Low	180 Å²	180	128.9 Å²	128.9	68%	0.679	70%	0.698	S	S	*	*	H	α-helix	trans	-67.6	-34.8	177.2	-66.5	-73.4	-179.9	-178.9	-1.9	111.9	W3 L10	W3-R6 WeakPolarHBondContact O-CB 3.41Å; W3-R6 PolarHBondContact O-N 2.9Å; R6-L10 PolarHBondContact O-N 3.11Å
7	I	63.6	Low	60.8	Low	93 Å²	93	127.6 Å²	127.6	48%	0.477	71%	0.709	S	S	.	*	H	α-helix	trans	-71.4	-42.4	178.9	-61.4	173.4	0	0	0	110.3	W3 T4 W5 F9 L10 V11	W3-I7 PolarHBondContact O-N 3.24Å; T4-I7 PolarHBondContact O-N 3.18Å; W5-I7 VanDerWaalsContact C-N 3.34Å; W5-I7 PolarHBondContact O-N 3.09Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.02Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-L10 VanDerWaalsContact O-N 3.11Å; I7-V11 HydrophobicContact CG2-CG2 4.4Å; I7-V11 WeakPolarHBondContact O-CG2 3.36Å; I7-V11 PolarHBondContact O-N 3.31Å; I7-V11 VanDerWaalsContact O-N 3.15Å
8	L	56	Low	60.7	Low	120 Å²	120	130.3 Å²	130.3	63%	0.628	72%	0.715	S	S	*	*	H	α-helix	trans	-59.8	-37.8	177.7	-97.9	149.6	0	0	0	113.2	T4 W5 V11	T4-L8 PolarHBondContact O-N 3.1Å; W5-L8 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 3.01Å
9	F	57.9	Low	61.3	Low	141 Å²	141	128.4 Å²	128.4	62%	0.618	71%	0.712	S	S	*	*	H	α-helix	trans	-70.7	-28.2	175.8	-87.7	-98.5	0	0	0	113.7	W5 I7	W5-F9 AromaticContact CD1-CD2 3.6Å; W5-F9 AromaticContact CD1-CE2 3.6Å; W5-F9 HydrophobicContact CD2-CE2 4.23Å; W5-F9 AromaticContact CE2-CE2 3.33Å; W5-F9 HydrophobicContact CG-CD2 4.39Å; W5-F9 HydrophobicContact CG-CE2 4.38Å; W5-F9 AromaticContact CZ2-CE2 3.66Å; W5-F9 HydrophobicContact CZ2-CE2 3.66Å; W5-F9 HydrophobicContact CZ2-CZ 4.2Å; W5-F9 AromaticContact NE1-CD2 3.43Å; W5-F9 AromaticContact NE1-CE2 2.9Å; W5-F9 AromaticContact NE1-CZ 3.71Å; W5-F9 WeakPolarHBondContact O-CD2 3.28Å; W5-F9 PolarHBondContact O-N 3.42Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.02Å
10	L	59.1	Low	62.8	Low	143 Å²	143	130.1 Å²	130.1	75%	0.749	71%	0.714	S	S	*	*	H	α-helix	trans	-75.8	-30.8	175.9	-71.6	168.7	0	0	0	112.4	R6 I7	R6-L10 PolarHBondContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-L10 VanDerWaalsContact O-N 3.11Å
11	V	61.7	Low	64.3	Low	101 Å²	101	126.8 Å²	126.8	61%	0.612	70%	0.698	S	S	*	*	H	α-helix	trans	-73.7	-25.7	-179	176.3	0	0	0	0	112.5	I7 L8 A13	I7-V11 HydrophobicContact CG2-CG2 4.4Å; I7-V11 WeakPolarHBondContact O-CG2 3.36Å; I7-V11 PolarHBondContact O-N 3.31Å; I7-V11 VanDerWaalsContact O-N 3.15Å; L8-V11 PolarHBondContact O-N 3.01Å; V11-A13 VanDerWaalsContact C-N 3.29Å; V11-A13 PolarHBondContact O-N 3.49Å
12	A	60.2	Low	66.5	Low	79 Å²	79	121.4 Å²	121.4	65%	0.653	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-8.8	-173.8	0	0	0	0	0	115.5
13	A	60.8	Low	68	Low	96 Å²	96	118.2 Å²	118.2	79%	0.793	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	0.9	-173.3	0	0	0	0	0	115.4	V11	V11-A13 VanDerWaalsContact C-N 3.29Å; V11-A13 PolarHBondContact O-N 3.49Å
14	A	59.9	Low	69.8	Low	87 Å²	87	111.5 Å²	111.5	72%	0.719	64%	0.635	S	S	*	*			trans	-110.3	5.4	-164.7	0	0	0	0	0	116.9
15	T	61	Low	71.3	Confident	140 Å²	140	109.7 Å²	109.7	86%	0.859	62%	0.619	S	S	*	*			trans	-109.8	70.3	-177	59.7	0	0	0	0	112
16	G	59.8	Low	73.1	Confident	56 Å²	56	103.3 Å²	103.3	58%	0.577	60%	0.601	S	S	*	*			trans	-155.4	44.7	177.4	0	0	0	0	0	112.3	H18	G16-H18 PolarHBondContact O-N 3.35Å
17	A	64.5	Low	74.6	Confident	107 Å²	107	97.6 Å²	97.6	88%	0.884	60%	0.599	S	S	*	*			trans	-73.6	71.1	170.3	0	0	0	0	0	109.3	S19	A17-S19 PolarHBondContact O-N 3.15Å; A17-S19 VanDerWaalsContact O-N 3.15Å
18	H	59.2	Low	76.2	Confident	177 Å²	177	98.6 Å²	98.6	82%	0.819	62%	0.62	S	S	*	*			trans	-59.8	115.8	159.9	-80.2	-79.6	0	0	0	106.6	G16 Q20	G16-H18 PolarHBondContact O-N 3.35Å; H18-Q20 VanDerWaalsContact C-N 3.33Å; H18-Q20 PolarHBondContact O-N 3.49Å
19	S	73.3	Confident	78.1	Confident	93 Å²	93	97.3 Å²	97.3	65%	0.65	61%	0.611	S	S	*	*			trans	-65.2	95.3	173.9	56.6	0	0	0	0	108.6	A17 V21	A17-S19 PolarHBondContact O-N 3.15Å; A17-S19 VanDerWaalsContact O-N 3.15Å; S19-V21 PolarHBondContact O-N 2.68Å
20	Q	90.1	Very high	79.9	Confident	163 Å²	163	97.6 Å²	97.6	76%	0.762	62%	0.624	S	S	*	*			trans	-64.8	134.3	175.8	-171.4	178.4	28.8	0	0	109.2	H18 Q22	H18-Q20 VanDerWaalsContact C-N 3.33Å; H18-Q20 PolarHBondContact O-N 3.49Å; Q20-Q22 PolarHBondContact O-N 3.31Å
21	V	93.8	Very high	81.7	Confident	61 Å²	61	95.7 Å²	95.7	37%	0.37	61%	0.61	S	S	.	*			trans	-66.6	130.7	172.6	171.5	0	0	0	0	109	S19 S44 Y46	S19-V21 PolarHBondContact O-N 2.68Å; V21-S44 WeakPolarHBondContact CA-O 2.98Å; V21-Y46 HydrophobicContact CB-CD1 4.47Å; V21-Y46 HydrophobicContact CG1-CD1 3.74Å; V21-Y46 HydrophobicContact CG1-CE1 3.92Å; V21-Y46 HydrophobicContact CG2-CD1 4.18Å
22	Q	96.6	Very high	83.4	Confident	105 Å²	105	98.6 Å²	98.6	49%	0.491	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.1	139.2	179.8	-170.8	179.1	-10.7	0	0	110.9	Q20 V24 A43 S44	Q20-Q22 PolarHBondContact O-N 3.31Å; Q22-V24 HydrophobicContact CG-CG2 3.9Å; Q22-A43 WeakPolarHBondContact O-CA 3.4Å; Q22-S44 PolarHBondContact N-O 3.25Å; Q22-S44 PolarHBondContact O-N 3.24Å
23	L	98.1	Very high	85.1	Confident	54 Å²	54	100 Å²	100	28%	0.283	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	121.4	170.7	-61.6	-177.5	0	0	0	108.2	K42 A43 Y46 M53	L23-K42 CarbonylContact C-O 3.6Å; L23-K42 WeakPolarHBondContact CA-O 3.47Å; L23-A43 HydrophobicContact CD2-CB 3.84Å; L23-Y46 HydrophobicContact CD2-CE1 4.17Å; L23-M53 HydrophobicContact CD2-CE 3.93Å
24	V	98.2	Very high	86.8	Confident	71 Å²	71	98.1 Å²	98.1	43%	0.43	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.6	118.5	-179.6	-177.2	0	0	0	0	109.3	Q22 C41 K42	Q22-V24 HydrophobicContact CG-CG2 3.9Å; V24-C41 WeakPolarHBondContact O-CA 3.35Å; V24-K42 PolarHBondContact N-O 3Å; V24-K42 PolarHBondContact O-N 3.01Å
25	Q	98.6	Very high	88.6	Confident	64 Å²	64	95.2 Å²	95.2	30%	0.299	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.7	156.6	-178.9	-72.6	-176.1	-130.9	0	0	113.1	S40 C41 Y113 Y114 C115	Q25-S40 CarbonylContact C-O 3.57Å; Q25-S40 WeakPolarHBondContact CA-O 3.25Å; Q25-C41 HydrophobicContact CG-CB 4.17Å; Q25-Y113 PolarHBondContact NE2-O 3.47Å; Q25-Y114 VanDerWaalsContact OE1-CA 3.31Å; Q25-C115 WeakPolarHBondContact CG-SG 3.38Å; Q25-C115 PolarHBondContact OE1-SG 3.24Å; Q25-C115 VanDerWaalsContact OE1-SG 3.4Å
26	S	97.8	Very high	90.3	Very high	38 Å²	38	91 Å²	91	27%	0.266	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-60.8	154.4	165.2	52.4	0	0	0	0	110.9	V39 S40	S26-V39 WeakPolarHBondContact OG-CA 3.37Å; S26-S40 WeakPolarHBondContact CB-OG 3.44Å; S26-S40 PolarHBondContact N-O 3.21Å; S26-S40 PolarHBondContact OG-N 3.26Å
27	G	96.7	Very high	92.1	Very high	61 Å²	61	89.2 Å²	89.2	63%	0.629	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-66.5	173.7	178.7	0	0	0	0	0	113.9
28	A	96.2	Very high	93.7	Very high	113 Å²	113	88.7 Å²	88.7	93%	0.934	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-66.8	141.2	175.3	0	0	0	0	0	111.4
29	E	96.2	Very high	95.5	Very high	93 Å²	93	81 Å²	81	44%	0.435	48%	0.48	S	S	.	.			trans	-129.6	137.2	177.3	-68.7	-170.5	-110.9	0	0	110.7	K31 V37	E29-K31 WeakPolarHBondContact OE2-CE 2.93Å; E29-K31 IonicContact OE2-NZ 2.68Å; E29-K31 PolarHBondContact OE2-NZ 2.77Å; E29-V37 HydrophobicContact CB-CG2 4.05Å
30	V	96.6	Very high	96.7	Very high	148 Å²	148	78.1 Å²	78.1	90%	0.897	46%	0.46	S	S	*	.			trans	-104.6	122.1	170	-178.5	0	0	0	0	107.9
31	K	96.7	Very high	97.1	Very high	102 Å²	102	70.4 Å²	70.4	44%	0.443	42%	0.424	S	S	.	.			trans	-125	153.5	179.1	-61.9	-62.5	-171.7	-163	0	110.6	E29 A35 V37 L105	E29-K31 WeakPolarHBondContact OE2-CE 2.93Å; E29-K31 IonicContact OE2-NZ 2.68Å; E29-K31 PolarHBondContact OE2-NZ 2.77Å; K31-A35 HydrophobicContact CB-CB 4.24Å; K31-V37 HydrophobicContact CG-CB 4.26Å; K31-L105 HydrophobicContact CB-CD1 3.69Å; K31-L105 HydrophobicContact CG-CD1 4.15Å
32	K	95.9	Very high	97.4	Very high	162 Å²	162	73.1 Å²	73.1	70%	0.704	43%	0.43	S	S	*	.			trans	-69.2	152	171.8	64.5	-179.2	-179	179	0	111.1	A35	K32-A35 HydrophobicContact CG-CB 3.97Å; K32-A35 VanDerWaalsContact O-CB 3.26Å; K32-A35 WeakPolarHBondContact O-CB 3.44Å; K32-A35 PolarHBondContact O-N 3.49Å
33	P	96.4	Very high	97.4	Very high	110 Å²	110	68.3 Å²	68.3	71%	0.714	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	144.4	169.9	-26.2	35	0	0	0	112.2	A35 L105	P33-A35 PolarHBondContact O-N 2.76Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.26Å
34	G	96.7	Very high	97.4	Very high	56 Å²	56	68.2 Å²	68.2	58%	0.577	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-13.2	-178.2	0	0	0	0	0	115.4	L105	G34-L105 PolarHBondContact N-O 2.86Å
35	A	97.6	Very high	97.2	Very high	25 Å²	25	66.3 Å²	66.3	21%	0.207	41%	0.408	C	S	.	.			trans	-71.6	179.7	172.4	0	0	0	0	0	111.8	K31 K32 P33 S104 L105	K31-A35 HydrophobicContact CB-CB 4.24Å; K32-A35 HydrophobicContact CG-CB 3.97Å; K32-A35 VanDerWaalsContact O-CB 3.26Å; K32-A35 WeakPolarHBondContact O-CB 3.44Å; K32-A35 PolarHBondContact O-N 3.49Å; P33-A35 PolarHBondContact O-N 2.76Å; A35-S104 PolarHBondContact O-N 2.9Å; A35-L105 WeakPolarHBondContact O-CB 3.43Å; A35-L105 VanDerWaalsContact O-CG 3.25Å; A35-L105 WeakPolarHBondContact O-CG 3.4Å; A35-L105 PolarHBondContact O-N 2.97Å
36	S	97	Very high	97.1	Very high	52 Å²	52	65.2 Å²	65.2	36%	0.364	40%	0.401	S	S	.	.			trans	-113.8	153.5	169.8	-56.5	0	0	0	0	111.1	L102	S36-L102 WeakPolarHBondContact CA-O 3.33Å; S36-L102 WeakPolarHBondContact CB-O 3.5Å
37	V	97.5	Very high	97	Very high	19 Å²	19	68.2 Å²	68.2	12%	0.115	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.2	170.7	66	0	0	0	0	109.1	E29 K31 E101 L102 L105	E29-V37 HydrophobicContact CB-CG2 4.05Å; K31-V37 HydrophobicContact CG-CB 4.26Å; V37-E101 CarbonylContact O-C 3.6Å; V37-E101 VanDerWaalsContact O-CA 3.28Å; V37-E101 WeakPolarHBondContact O-CA 3.07Å; V37-L102 HydrophobicContact CG1-CB 4.18Å; V37-L102 PolarHBondContact N-O 2.87Å; V37-L102 PolarHBondContact O-N 2.8Å; V37-L105 HydrophobicContact CB-CD1 4.03Å; V37-L105 HydrophobicContact CG1-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD2 3.93Å; V37-L105 HydrophobicContact CG1-CG 4.44Å
38	K	97.7	Very high	97	Very high	96 Å²	96	65.7 Å²	65.7	42%	0.417	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.1	-179.7	-177.8	176	179.7	176.9	0	109.5	Y99 T100 E101	K38-Y99 HydrophobicContact CD-CD1 4.38Å; K38-Y99 VanDerWaalsContact CE-CG 3.42Å; K38-Y99 HydrophobicContact CG-CD1 4.34Å; K38-T100 WeakPolarHBondContact CA-O 3.34Å; K38-E101 HydrophobicContact CB-CB 4.34Å; K38-E101 HydrophobicContact CB-CG 4.34Å; K38-E101 HydrophobicContact CG-CB 4.37Å
39	V	98.2	Very high	97.1	Very high	15 Å²	15	62.5 Å²	62.5	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.8	176.9	-177	0	0	0	0	108.8	S26 W55 Y99 T100	S26-V39 WeakPolarHBondContact OG-CA 3.37Å; V39-W55 HydrophobicContact CB-CH2 4.39Å; V39-W55 HydrophobicContact CB-CZ3 4.2Å; V39-W55 HydrophobicContact CG1-CH2 4.05Å; V39-W55 HydrophobicContact CG1-CZ3 3.73Å; V39-Y99 CarbonylContact O-C 3.5Å; V39-Y99 WeakPolarHBondContact O-CA 3.3Å; V39-T100 HydrophobicContact CB-CG2 3.95Å; V39-T100 HydrophobicContact CG2-CG2 4.49Å; V39-T100 PolarHBondContact N-O 2.8Å; V39-T100 PolarHBondContact O-N 3.46Å
40	S	98.5	Very high	97.2	Very high	33 Å²	33	62.9 Å²	62.9	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	150.6	172.2	66.1	0	0	0	0	111	Q25 S26 A98 Y99	Q25-S40 CarbonylContact C-O 3.57Å; Q25-S40 WeakPolarHBondContact CA-O 3.25Å; S26-S40 WeakPolarHBondContact CB-OG 3.44Å; S26-S40 PolarHBondContact N-O 3.21Å; S26-S40 PolarHBondContact OG-N 3.26Å; S40-A98 CarbonylContact C-O 3.58Å; S40-A98 WeakPolarHBondContact CA-O 3.18Å; S40-Y99 VanDerWaalsContact CB-CE1 3.45Å
41	C	98.7	Very high	97.2	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	107	170.7	176.9	0	0	0	0	109.9	V24 Q25 W55 T97 A98 C115	V24-C41 WeakPolarHBondContact O-CA 3.35Å; Q25-C41 HydrophobicContact CG-CB 4.17Å; C41-W55 HydrophobicContact CB-CH2 3.51Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; C41-W55 HydrophobicContact CB-CZ3 4.29Å; C41-T97 WeakPolarHBondContact O-CA 2.91Å; C41-A98 PolarHBondContact N-O 3.4Å; C41-A98 PolarHBondContact O-N 3.11Å; C41-C115 HydrophobicContact CB-CB 3.39Å; C41-C115 WeakPolarHBondContact CB-SG 3.47Å; C41-C115 WeakPolarHBondContact SG-CB 3.37Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.05Å
42	K	98.5	Very high	97.3	Very high	118 Å²	118	60.7 Å²	60.7	51%	0.513	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.3	178.1	-175.3	172.5	-176.8	177.3	0	110.1	L23 V24	L23-K42 CarbonylContact C-O 3.6Å; L23-K42 WeakPolarHBondContact CA-O 3.47Å; V24-K42 PolarHBondContact N-O 3Å; V24-K42 PolarHBondContact O-N 3.01Å
43	A	98.3	Very high	97.4	Very high	5 Å²	5	53 Å²	53	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.5	-179.7	0	0	0	0	0	112	Q22 L23 Y46 F48 M53 S96	Q22-A43 WeakPolarHBondContact O-CA 3.4Å; L23-A43 HydrophobicContact CD2-CB 3.84Å; A43-Y46 HydrophobicContact CB-CE1 3.67Å; A43-Y46 WeakPolarHBondContact CB-OH 3.28Å; A43-F48 HydrophobicContact CB-CD2 3.56Å; A43-F48 HydrophobicContact CB-CE2 4.11Å; A43-F48 HydrophobicContact CB-CG 4.42Å; A43-M53 HydrophobicContact CB-CE 4.44Å; A43-S96 PolarHBondContact N-O 3.19Å; A43-S96 WeakPolarHBondContact O-CB 3.39Å
44	S	96.8	Very high	97.5	Very high	51 Å²	51	50.2 Å²	50.2	36%	0.357	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.1	171.4	54.1	0	0	0	0	111.5	V21 Q22 Y46	V21-S44 WeakPolarHBondContact CA-O 2.98Å; Q22-S44 PolarHBondContact N-O 3.25Å; Q22-S44 PolarHBondContact O-N 3.24Å; S44-Y46 WeakPolarHBondContact O-CD1 2.98Å
45	G	95.3	Very high	97.6	Very high	32 Å²	32	47.5 Å²	47.5	33%	0.33	25%	0.249	S	C	.	.	S	Bend	trans	82.2	9.8	-178.5	0	0	0	0	0	114.7
46	Y	94.9	Very high	97.7	Very high	40 Å²	40	47.6 Å²	47.6	16%	0.157	25%	0.247	C	C	.	.	S	Bend	trans	-160.2	168.7	172.8	68	-80.2	0	0	0	111	V21 L23 A43 S44 F48 Y51 R117	V21-Y46 HydrophobicContact CB-CD1 4.47Å; V21-Y46 HydrophobicContact CG1-CD1 3.74Å; V21-Y46 HydrophobicContact CG1-CE1 3.92Å; V21-Y46 HydrophobicContact CG2-CD1 4.18Å; L23-Y46 HydrophobicContact CD2-CE1 4.17Å; A43-Y46 HydrophobicContact CB-CE1 3.67Å; A43-Y46 WeakPolarHBondContact CB-OH 3.28Å; S44-Y46 WeakPolarHBondContact O-CD1 2.98Å; Y46-F48 PolarHBondContact O-N 3.33Å; Y46-Y51 AromaticContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CE2 4.1Å; Y46-Y51 AromaticContact CE2-CD2 3.96Å; Y46-Y51 HydrophobicContact CE2-CD2 3.96Å; Y46-Y51 HydrophobicContact CE2-CG 4.5Å; Y46-R117 HydrophobicContact CE2-CG 4.04Å
47	I	96.4	Very high	97.6	Very high	102 Å²	102	45.7 Å²	45.7	52%	0.523	23%	0.232	S	C	.	.			trans	-74.2	107.1	173.5	-60.1	172.8	0	0	0	108.7	T49 D50	I47-T49 VanDerWaalsContact CG2-OG1 3.3Å; I47-T49 WeakPolarHBondContact CG2-OG1 3.49Å; I47-T49 PolarHBondContact O-N 3.04Å; I47-T49 VanDerWaalsContact O-N 3.13Å; I47-D50 HydrophobicContact CB-CB 4.25Å; I47-D50 WeakPolarHBondContact CB-OD2 3.42Å; I47-D50 WeakPolarHBondContact CD1-OD2 3.44Å; I47-D50 HydrophobicContact CG2-CB 4.31Å; I47-D50 VanDerWaalsContact CG2-CG 3.45Å; I47-D50 VanDerWaalsContact CG2-OD1 3.31Å; I47-D50 WeakPolarHBondContact CG2-OD1 3.18Å; I47-D50 PolarHBondContact O-N 2.83Å
48	F	97.7	Very high	97.6	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.5	-174.3	176.4	-121.1	0	0	0	113.8	A43 Y46 D50 M53 P72 R91 T93 A98	A43-F48 HydrophobicContact CB-CD2 3.56Å; A43-F48 HydrophobicContact CB-CE2 4.11Å; A43-F48 HydrophobicContact CB-CG 4.42Å; Y46-F48 PolarHBondContact O-N 3.33Å; F48-D50 VanDerWaalsContact C-N 3.31Å; F48-D50 PolarHBondContact O-N 2.99Å; F48-M53 HydrophobicContact CD2-CE 4.5Å; F48-M53 HydrophobicContact CE2-CE 3.86Å; F48-P72 HydrophobicContact CD1-CB 3.82Å; F48-P72 HydrophobicContact CD2-CB 4.48Å; F48-P72 HydrophobicContact CD2-CG 4.37Å; F48-P72 HydrophobicContact CE1-CB 3.57Å; F48-P72 HydrophobicContact CE1-CG 4.22Å; F48-P72 HydrophobicContact CE2-CB 4.24Å; F48-P72 HydrophobicContact CE2-CG 4Å; F48-P72 HydrophobicContact CG-CB 4.3Å; F48-P72 HydrophobicContact CZ-CB 3.79Å; F48-P72 HydrophobicContact CZ-CG 3.93Å; F48-P72 WeakPolarHBondContact O-CG 3.25Å; F48-R91 HydrophobicContact CE1-CB 4.43Å; F48-T93 HydrophobicContact CD1-CG2 4.47Å; F48-T93 HydrophobicContact CE1-CG2 4.46Å; F48-A98 HydrophobicContact CE2-CB 4.39Å; F48-A98 HydrophobicContact CZ-CB 4.08Å
49	T	98.2	Very high	97.6	Very high	46 Å²	46	44 Å²	44	28%	0.282	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-74.1	-16.3	-179.8	49.3	0	0	0	0	114.5	I47 Y51 N73 T93	I47-T49 VanDerWaalsContact CG2-OG1 3.3Å; I47-T49 WeakPolarHBondContact CG2-OG1 3.49Å; I47-T49 PolarHBondContact O-N 3.04Å; I47-T49 VanDerWaalsContact O-N 3.13Å; T49-Y51 VanDerWaalsContact C-N 3.33Å; T49-Y51 PolarHBondContact O-N 2.82Å; T49-N73 WeakPolarHBondContact O-CB 3.19Å; T49-T93 HydrophobicContact CG2-CG2 4Å
50	D	97.5	Very high	97.4	Very high	101 Å²	101	48.5 Å²	48.5	54%	0.54	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-82.6	-11.8	-172.9	-69.1	1.1	0	0	0	113.3	I47 F48	I47-D50 HydrophobicContact CB-CB 4.25Å; I47-D50 WeakPolarHBondContact CB-OD2 3.42Å; I47-D50 WeakPolarHBondContact CD1-OD2 3.44Å; I47-D50 HydrophobicContact CG2-CB 4.31Å; I47-D50 VanDerWaalsContact CG2-CG 3.45Å; I47-D50 VanDerWaalsContact CG2-OD1 3.31Å; I47-D50 WeakPolarHBondContact CG2-OD1 3.18Å; I47-D50 PolarHBondContact O-N 2.83Å; F48-D50 VanDerWaalsContact C-N 3.31Å; F48-D50 PolarHBondContact O-N 2.99Å
51	Y	97.4	Very high	97.3	Very high	109 Å²	109	51.4 Å²	51.4	43%	0.427	29%	0.29	S	S	.	.	S	Bend	trans	-132.6	145.6	-174.4	-63.2	-90.8	0	0	0	112	Y46 T49 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CE2 4.1Å; Y46-Y51 AromaticContact CE2-CD2 3.96Å; Y46-Y51 HydrophobicContact CE2-CD2 3.96Å; Y46-Y51 HydrophobicContact CE2-CG 4.5Å; T49-Y51 VanDerWaalsContact C-N 3.33Å; T49-Y51 PolarHBondContact O-N 2.82Å; Y51-P72 WeakPolarHBondContact O-CD 3.43Å; Y51-P72 VanDerWaalsContact O-CG 3.25Å; Y51-P72 WeakPolarHBondContact O-CG 3.46Å; Y51-R117 HydrophobicContact CD1-CG 4.02Å; Y51-R117 HydrophobicContact CD2-CG 4.35Å; Y51-R117 HydrophobicContact CG-CG 3.67Å
52	Y	98.4	Very high	97.1	Very high	96 Å²	96	56.6 Å²	56.6	38%	0.376	32%	0.315	S	S	.	.			trans	-66.1	144.2	170.1	-69.8	-92.3	0	0	0	110.3	R69 I70 N71	Y52-R69 HydrophobicContact CD1-CG 4.16Å; Y52-I70 WeakPolarHBondContact CA-O 3.4Å; Y52-N71 HydrophobicContact CD1-CB 3.8Å; Y52-N71 HydrophobicContact CE1-CB 3.48Å; Y52-N71 VanDerWaalsContact CE1-CB 3.48Å; Y52-N71 PolarHBondContact OH-ND2 2.89Å
53	M	98.6	Very high	96.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114	166.4	-174.2	66.9	67.5	0	0	108.8	L23 A43 F48 R69 I70 A98 C115 A116	L23-M53 HydrophobicContact CD2-CE 3.93Å; A43-M53 HydrophobicContact CB-CE 4.44Å; F48-M53 HydrophobicContact CD2-CE 4.5Å; F48-M53 HydrophobicContact CE2-CE 3.86Å; M53-R69 CarbonylContact O-C 3.59Å; M53-R69 WeakPolarHBondContact O-CA 3.34Å; M53-I70 HydrophobicContact CB-CG2 3.87Å; M53-I70 PolarHBondContact N-O 3.4Å; M53-I70 PolarHBondContact O-N 2.93Å; M53-A98 HydrophobicContact CB-CB 4.04Å; M53-A98 HydrophobicContact CE-CB 4.39Å; M53-A98 HydrophobicContact CG-CB 3.65Å; M53-C115 HydrophobicContact CG-CB 4.43Å; M53-C115 HydrophobicContact SD-CB 3.71Å; M53-A116 VanDerWaalsContact SD-O 3.38Å
54	H	98.6	Very high	96.8	Very high	50 Å²	50	63.8 Å²	63.8	23%	0.231	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.2	174.5	-71.9	-109.1	0	0	0	110.4	W66 C115 A116	H54-W66 AromaticContact ND1-CD1 3.94Å; H54-W66 AromaticContact ND1-NE1 3.17Å; H54-W66 PolarHBondContact ND1-NE1 2.84Å; H54-W66 VanDerWaalsContact ND1-NE1 3.17Å; H54-C115 CarbonylContact O-C 3.52Å; H54-C115 WeakPolarHBondContact O-CA 3.42Å; H54-A116 HydrophobicContact CB-CB 4.38Å; H54-A116 PolarHBondContact N-O 2.65Å; H54-A116 PolarHBondContact O-N 3.45Å
55	W	98.5	Very high	96.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	172.3	-67.9	95.1	0	0	0	109.9	V39 C41 M67 G68 M89 A98 T100 Y114 C115	V39-W55 HydrophobicContact CB-CH2 4.39Å; V39-W55 HydrophobicContact CB-CZ3 4.2Å; V39-W55 HydrophobicContact CG1-CH2 4.05Å; V39-W55 HydrophobicContact CG1-CZ3 3.73Å; C41-W55 HydrophobicContact CB-CH2 3.51Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; C41-W55 HydrophobicContact CB-CZ3 4.29Å; W55-M67 HydrophobicContact CB-CB 4.33Å; W55-M67 WeakPolarHBondContact O-CB 3.44Å; W55-M67 PolarHBondContact O-N 3.31Å; W55-G68 PolarHBondContact N-O 3.47Å; W55-M89 HydrophobicContact CB-CE 3.72Å; W55-M89 VanDerWaalsContact CD1-SD 3.59Å; W55-M89 HydrophobicContact CG-CE 3.94Å; W55-M89 HydrophobicContact CG-SD 4.46Å; W55-A98 HydrophobicContact CZ2-CB 4.1Å; W55-T100 HydrophobicContact CD2-CG2 3.49Å; W55-T100 VanDerWaalsContact CD2-CG2 3.49Å; W55-T100 HydrophobicContact CE3-CG2 3.35Å; W55-T100 HydrophobicContact CG-CG2 4.11Å; W55-T100 HydrophobicContact CH2-CG2 3.91Å; W55-T100 HydrophobicContact CZ2-CG2 4.07Å; W55-T100 HydrophobicContact CZ3-CG2 3.57Å; W55-Y114 WeakPolarHBondContact CA-O 3.43Å; W55-C115 HydrophobicContact CD2-CB 4.34Å; W55-C115 HydrophobicContact CE3-CB 3.92Å; W55-C115 HydrophobicContact CH2-CB 3.98Å; W55-C115 HydrophobicContact CZ2-CB 4.34Å; W55-C115 HydrophobicContact CZ3-CB 3.73Å
56	V	98.1	Very high	96.9	Very high	26 Å²	26	65.4 Å²	65.4	16%	0.158	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.3	-177.1	-175.4	0	0	0	0	107.9	L64 G65 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.65Å; V56-L64 HydrophobicContact CG1-CG 4.28Å; V56-G65 WeakPolarHBondContact CA-O 3.44Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.3Å; V56-Y114 PolarHBondContact N-O 2.85Å; V56-Y114 PolarHBondContact O-N 3.1Å
57	R	96.5	Very high	97	Very high	13 Å²	13	63.5 Å²	63.5	5%	0.049	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152	170.1	62.9	152.5	-115.8	-174.1	9.2	112.1	G65 M67 F83 E108 A111 T112 Y113	R57-G65 PolarHBondContact N-O 3.38Å; R57-G65 PolarHBondContact O-N 3.37Å; R57-M67 HydrophobicContact CB-CG 4.39Å; R57-M67 HydrophobicContact CB-SD 3.79Å; R57-M67 HydrophobicContact CG-CG 3.97Å; R57-M67 HydrophobicContact CG-SD 3.95Å; R57-F83 HydrophobicContact CG-CE1 4.48Å; R57-F83 HydrophobicContact CG-CZ 3.91Å; R57-E108 PolarHBondContact NH1-O 2.96Å; R57-A111 HydrophobicContact CB-CB 4.23Å; R57-T112 CarbonylContact C-O 3.6Å; R57-T112 VanDerWaalsContact CA-O 3.3Å; R57-T112 WeakPolarHBondContact CA-O 3.11Å; R57-Y113 HydrophobicContact CB-CD1 3.84Å; R57-Y113 HydrophobicContact CB-CE1 3.75Å; R57-Y113 HydrophobicContact CB-CG 4.47Å
58	Q	97.4	Very high	97.1	Very high	73 Å²	73	58.6 Å²	58.6	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	110.7	173.2	-163.3	175.7	16.3	0	0	109.7	L64 A111 T112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 4.1Å; Q58-A111 CarbonylContact O-C 3.54Å; Q58-A111 WeakPolarHBondContact O-CA 3.37Å; Q58-A111 WeakPolarHBondContact O-CB 3.36Å; Q58-T112 PolarHBondContact N-O 3.24Å; Q58-T112 PolarHBondContact O-N 3.4Å; Q58-Y114 HydrophobicContact CB-CE2 3.94Å
59	A	96.1	Very high	97.2	Very high	7 Å²	7	62.7 Å²	62.7	6%	0.058	33%	0.331	C	S	.	.			trans	-78.7	153.1	170.8	0	0	0	0	0	109.9	G61 Q62 A111	A59-G61 PolarHBondContact O-N 2.87Å; A59-Q62 HydrophobicContact CB-CB 4.05Å; A59-Q62 HydrophobicContact CB-CG 4.03Å; A59-Q62 PolarHBondContact O-N 3.12Å; A59-A111 HydrophobicContact CB-CB 4.3Å
60	P	95.4	Very high	97.2	Very high	108 Å²	108	60.5 Å²	60.5	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	126.6	178	-25.7	34.7	0	0	0	111.7	Q62	P60-Q62 PolarHBondContact O-N 3.4Å
61	G	95.8	Very high	97.2	Very high	95 Å²	95	56.9 Å²	56.9	98%	0.979	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	8.3	-178.8	0	0	0	0	0	115.5	A59	A59-G61 PolarHBondContact O-N 2.87Å
62	Q	94.7	Very high	97.3	Very high	108 Å²	108	51.7 Å²	51.7	51%	0.505	28%	0.278	S	S	.	.	S	Bend	trans	-111.4	162.6	177.3	-61.1	-173.4	9.3	0	0	111.9	A59 P60	A59-Q62 HydrophobicContact CB-CB 4.05Å; A59-Q62 HydrophobicContact CB-CG 4.03Å; A59-Q62 PolarHBondContact O-N 3.12Å; P60-Q62 PolarHBondContact O-N 3.4Å
63	E	94.4	Very high	97.3	Very high	170 Å²	170	53 Å²	53	79%	0.794	29%	0.291	S	S	*	.			trans	-69	167.6	172.4	66.9	-176.6	163.8	0	0	112.8	G65	E63-G65 PolarHBondContact O-N 2.02Å
64	L	96.5	Very high	97.2	Very high	104 Å²	104	56.6 Å²	56.6	55%	0.545	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122	174.3	-72.3	166.9	0	0	0	110.2	V56 Q58 Y114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.65Å; V56-L64 HydrophobicContact CG1-CG 4.28Å; Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 4.1Å; L64-Y114 HydrophobicContact CD2-CD2 4.32Å; L64-Y114 HydrophobicContact CD2-CE2 4.41Å
65	G	96.2	Very high	97.2	Very high	24 Å²	24	54.9 Å²	54.9	25%	0.247	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.9	174.1	0	0	0	0	0	111.2	V56 R57 E63 M67	V56-G65 WeakPolarHBondContact CA-O 3.44Å; R57-G65 PolarHBondContact N-O 3.38Å; R57-G65 PolarHBondContact O-N 3.37Å; E63-G65 PolarHBondContact O-N 2.02Å; G65-M67 PolarHBondContact O-N 3.01Å
66	W	97.5	Very high	97.2	Very high	93 Å²	93	56.8 Å²	56.8	35%	0.352	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.2	171.1	-177.8	71.2	0	0	0	110.4	H54 G68 R69 N78 A80	H54-W66 AromaticContact ND1-CD1 3.94Å; H54-W66 AromaticContact ND1-NE1 3.17Å; H54-W66 PolarHBondContact ND1-NE1 2.84Å; H54-W66 VanDerWaalsContact ND1-NE1 3.17Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 VanDerWaalsContact CE2-CA 3.47Å; W66-G68 PolarHBondContact NE1-O 2.96Å; W66-R69 HydrophobicContact CZ2-CB 4.11Å; W66-R69 HydrophobicContact CZ2-CG 4.09Å; W66-N78 WeakPolarHBondContact CH2-OD1 3.17Å; W66-A80 HydrophobicContact CE3-CB 3.75Å; W66-A80 HydrophobicContact CZ3-CB 3.96Å; W66-A80 WeakPolarHBondContact O-CB 3.49Å
67	M	97.7	Very high	97.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-36.6	-177	-62.4	173	59.9	0	0	112.2	W55 R57 G65 A80 F83 V87 M89 L102 Y113	W55-M67 HydrophobicContact CB-CB 4.33Å; W55-M67 WeakPolarHBondContact O-CB 3.44Å; W55-M67 PolarHBondContact O-N 3.31Å; R57-M67 HydrophobicContact CB-CG 4.39Å; R57-M67 HydrophobicContact CB-SD 3.79Å; R57-M67 HydrophobicContact CG-CG 3.97Å; R57-M67 HydrophobicContact CG-SD 3.95Å; G65-M67 PolarHBondContact O-N 3.01Å; M67-A80 PolarHBondContact O-N 3.02Å; M67-F83 HydrophobicContact CB-CD2 4.05Å; M67-F83 HydrophobicContact CB-CE2 4.28Å; M67-F83 HydrophobicContact CB-CG 4.21Å; M67-F83 HydrophobicContact CE-CD1 4.1Å; M67-F83 HydrophobicContact CE-CE1 4.24Å; M67-F83 HydrophobicContact CG-CD1 4.23Å; M67-F83 HydrophobicContact CG-CD2 4Å; M67-F83 HydrophobicContact CG-CE1 4.02Å; M67-F83 HydrophobicContact CG-CE2 3.76Å; M67-F83 HydrophobicContact CG-CG 4.22Å; M67-F83 HydrophobicContact CG-CZ 3.78Å; M67-V87 HydrophobicContact CE-CG1 4.22Å; M67-V87 HydrophobicContact CE-CG2 3.56Å; M67-M89 HydrophobicContact CB-CE 4.23Å; M67-L102 HydrophobicContact CE-CD1 3.84Å; M67-L102 HydrophobicContact CE-CD2 4.28Å; M67-L102 HydrophobicContact CE-CG 4.25Å; M67-Y113 HydrophobicContact CE-CD1 4.06Å; M67-Y113 HydrophobicContact CE-CE1 3.73Å; M67-Y113 HydrophobicContact SD-CD1 3.56Å; M67-Y113 VanDerWaalsContact SD-CD1 3.56Å; M67-Y113 HydrophobicContact SD-CE1 3.57Å; M67-Y113 VanDerWaalsContact SD-CE1 3.57Å
68	G	98.3	Very high	97.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-178.2	-174.6	0	0	0	0	0	112.6	W55 W66 N78 M89	W55-G68 PolarHBondContact N-O 3.47Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 VanDerWaalsContact CE2-CA 3.47Å; W66-G68 PolarHBondContact NE1-O 2.96Å; G68-N78 CarbonylContact C-O 3.42Å; G68-N78 WeakPolarHBondContact CA-O 3.45Å; G68-M89 VanDerWaalsContact CA-CE 3.49Å
69	R	98.4	Very high	97.3	Very high	93 Å²	93	60.9 Å²	60.9	35%	0.351	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.7	172.3	68.8	-177.3	-178.8	177.8	-1.6	110.9	Y52 M53 W66 T77 N78	Y52-R69 HydrophobicContact CD1-CG 4.16Å; M53-R69 CarbonylContact O-C 3.59Å; M53-R69 WeakPolarHBondContact O-CA 3.34Å; W66-R69 HydrophobicContact CZ2-CB 4.11Å; W66-R69 HydrophobicContact CZ2-CG 4.09Å; R69-T77 WeakPolarHBondContact O-CA 3.22Å; R69-N78 HydrophobicContact CG-CB 4.26Å; R69-N78 PolarHBondContact N-O 2.93Å; R69-N78 PolarHBondContact O-N 2.96Å
70	I	98.7	Very high	97.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	168.8	-172.6	163.6	0	0	0	109.8	Y52 M53 P72 G76 T77 M89 R91 A98	Y52-I70 WeakPolarHBondContact CA-O 3.4Å; M53-I70 HydrophobicContact CB-CG2 3.87Å; M53-I70 PolarHBondContact N-O 3.4Å; M53-I70 PolarHBondContact O-N 2.93Å; I70-P72 WeakPolarHBondContact O-CD 3.47Å; I70-G76 WeakPolarHBondContact CA-O 3.32Å; I70-T77 HydrophobicContact CB-CG2 4.12Å; I70-T77 HydrophobicContact CD1-CG2 3.86Å; I70-T77 HydrophobicContact CG1-CG2 3.83Å; I70-M89 HydrophobicContact CB-CB 4.13Å; I70-M89 HydrophobicContact CD1-CB 4.14Å; I70-M89 WeakPolarHBondContact CD1-O 3.37Å; I70-R91 HydrophobicContact CD1-CB 4.21Å; I70-R91 HydrophobicContact CD1-CG 4.39Å; I70-A98 HydrophobicContact CG2-CB 4.46Å
71	N	98.5	Very high	97.4	Very high	24 Å²	24	64.6 Å²	64.6	13%	0.128	37%	0.365	C	S	.	.			trans	-82.4	114	168.4	-172.5	-40.5	0	0	0	108.4	Y52 N73 S74 G75 G76	Y52-N71 HydrophobicContact CD1-CB 3.8Å; Y52-N71 HydrophobicContact CE1-CB 3.48Å; Y52-N71 VanDerWaalsContact CE1-CB 3.48Å; Y52-N71 PolarHBondContact OH-ND2 2.89Å; N71-N73 VanDerWaalsContact C-N 3.29Å; N71-N73 PolarHBondContact O-N 2.77Å; N71-N73 WeakPolarHBondContact OD1-CA 3.18Å; N71-N73 VanDerWaalsContact OD1-CB 3.28Å; N71-N73 WeakPolarHBondContact OD1-CB 2.99Å; N71-N73 PolarHBondContact OD1-N 2.88Å; N71-S74 WeakPolarHBondContact CB-OG 3.31Å; N71-S74 VanDerWaalsContact CG-OG 3.27Å; N71-S74 PolarHBondContact ND2-OG 2.84Å; N71-S74 PolarHBondContact OD1-N 3.15Å; N71-S74 VanDerWaalsContact OD1-N 3.1Å; N71-G75 WeakPolarHBondContact O-CA 3.46Å; N71-G75 PolarHBondContact O-N 2.85Å; N71-G76 PolarHBondContact N-O 2.89Å
72	P	98.5	Very high	97.2	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.006	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.4	-179.1	-19.4	34.5	0	0	0	113.6	F48 Y51 I70 T93	F48-P72 HydrophobicContact CD1-CB 3.82Å; F48-P72 HydrophobicContact CD2-CB 4.48Å; F48-P72 HydrophobicContact CD2-CG 4.37Å; F48-P72 HydrophobicContact CE1-CB 3.57Å; F48-P72 HydrophobicContact CE1-CG 4.22Å; F48-P72 HydrophobicContact CE2-CB 4.24Å; F48-P72 HydrophobicContact CE2-CG 4Å; F48-P72 HydrophobicContact CG-CB 4.3Å; F48-P72 HydrophobicContact CZ-CB 3.79Å; F48-P72 HydrophobicContact CZ-CG 3.93Å; F48-P72 WeakPolarHBondContact O-CG 3.25Å; Y51-P72 WeakPolarHBondContact O-CD 3.43Å; Y51-P72 VanDerWaalsContact O-CG 3.25Å; Y51-P72 WeakPolarHBondContact O-CG 3.46Å; I70-P72 WeakPolarHBondContact O-CD 3.47Å; P72-T93 WeakPolarHBondContact O-CG2 3.28Å
73	N	98.3	Very high	97.1	Very high	122 Å²	122	61.7 Å²	61.7	65%	0.652	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-59	174.5	-175.3	13.3	0	0	0	111.6	T49 N71	T49-N73 WeakPolarHBondContact O-CB 3.19Å; N71-N73 VanDerWaalsContact C-N 3.29Å; N71-N73 PolarHBondContact O-N 2.77Å; N71-N73 WeakPolarHBondContact OD1-CA 3.18Å; N71-N73 VanDerWaalsContact OD1-CB 3.28Å; N71-N73 WeakPolarHBondContact OD1-CB 2.99Å; N71-N73 PolarHBondContact OD1-N 2.88Å
74	S	98.1	Very high	97.1	Very high	78 Å²	78	59.4 Å²	59.4	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-21.2	-175.1	68.4	0	0	0	0	114.4	N71 G76	N71-S74 WeakPolarHBondContact CB-OG 3.31Å; N71-S74 VanDerWaalsContact CG-OG 3.27Å; N71-S74 PolarHBondContact ND2-OG 2.84Å; N71-S74 PolarHBondContact OD1-N 3.15Å; N71-S74 VanDerWaalsContact OD1-N 3.1Å; S74-G76 PolarHBondContact O-N 3.28Å; S74-G76 PolarHBondContact OG-N 3.03Å
75	G	98.1	Very high	97	Very high	13 Å²	13	58.4 Å²	58.4	13%	0.134	33%	0.328	C	S	.	.			trans	78.7	-0.1	-169.6	0	0	0	0	0	115.6	N71 T77	N71-G75 WeakPolarHBondContact O-CA 3.46Å; N71-G75 PolarHBondContact O-N 2.85Å; G75-T77 PolarHBondContact O-N 3.5Å
76	G	98.3	Very high	96.9	Very high	40 Å²	40	59.1 Å²	59.1	41%	0.412	32%	0.323	S	S	.	.			trans	-62.2	133.6	179.2	0	0	0	0	0	111.8	I70 N71 S74	I70-G76 WeakPolarHBondContact CA-O 3.32Å; N71-G76 PolarHBondContact N-O 2.89Å; S74-G76 PolarHBondContact O-N 3.28Å; S74-G76 PolarHBondContact OG-N 3.03Å
77	T	98.4	Very high	96.9	Very high	59 Å²	59	55 Å²	55	36%	0.362	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.4	-179.9	55.8	0	0	0	0	111.5	R69 I70 G75 Y79 M89	R69-T77 WeakPolarHBondContact O-CA 3.22Å; I70-T77 HydrophobicContact CB-CG2 4.12Å; I70-T77 HydrophobicContact CD1-CG2 3.86Å; I70-T77 HydrophobicContact CG1-CG2 3.83Å; G75-T77 PolarHBondContact O-N 3.5Å; T77-Y79 WeakPolarHBondContact CB-OH 3.42Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.28Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.37Å; T77-Y79 PolarHBondContact OG1-OH 2.83Å; T77-M89 HydrophobicContact CG2-CB 4Å
78	N	97.9	Very high	96.9	Very high	85 Å²	85	58.5 Å²	58.5	46%	0.455	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.8	167.3	-171.7	-86.7	0	0	0	109.1	W66 G68 R69	W66-N78 WeakPolarHBondContact CH2-OD1 3.17Å; G68-N78 CarbonylContact C-O 3.42Å; G68-N78 WeakPolarHBondContact CA-O 3.45Å; R69-N78 HydrophobicContact CG-CB 4.26Å; R69-N78 PolarHBondContact N-O 2.93Å; R69-N78 PolarHBondContact O-N 2.96Å
79	Y	98.3	Very high	96.9	Very high	54 Å²	54	58.8 Å²	58.8	21%	0.212	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.3	-172.9	-57.4	-82.8	0	0	0	110.6	T77 V87 M89	T77-Y79 WeakPolarHBondContact CB-OH 3.42Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.28Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.37Å; T77-Y79 PolarHBondContact OG1-OH 2.83Å; Y79-V87 HydrophobicContact CD1-CB 4.33Å; Y79-V87 HydrophobicContact CD1-CG1 4.31Å; Y79-V87 HydrophobicContact CE1-CB 4.36Å; Y79-V87 HydrophobicContact CE1-CG1 4.09Å; Y79-V87 WeakPolarHBondContact CE1-O 3.37Å; Y79-M89 HydrophobicContact CD1-CE 4.27Å; Y79-M89 HydrophobicContact CD1-SD 4.42Å; Y79-M89 HydrophobicContact CE1-CB 4.36Å; Y79-M89 HydrophobicContact CE1-CE 4.28Å; Y79-M89 HydrophobicContact CE1-CG 3.94Å; Y79-M89 HydrophobicContact CE1-SD 4.03Å; Y79-M89 PolarHBondContact OH-N 2.77Å
80	A	97.2	Very high	96.9	Very high	20 Å²	20	57 Å²	57	17%	0.165	33%	0.33	C	S	.	.			trans	-62.7	142.8	163.9	0	0	0	0	0	110.1	W66 M67 K82 F83 Q84	W66-A80 HydrophobicContact CE3-CB 3.75Å; W66-A80 HydrophobicContact CZ3-CB 3.96Å; W66-A80 WeakPolarHBondContact O-CB 3.49Å; M67-A80 PolarHBondContact O-N 3.02Å; A80-K82 PolarHBondContact O-N 2.88Å; A80-K82 VanDerWaalsContact O-N 3.11Å; A80-F83 HydrophobicContact CB-CD2 4.04Å; A80-F83 PolarHBondContact O-N 3.33Å; A80-Q84 PolarHBondContact O-N 2.79Å
81	Q	95.7	Very high	96.9	Very high	173 Å²	173	62.3 Å²	62.3	81%	0.808	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-51.5	-40.2	-174.9	-175.3	177.7	-28	0	0	113	F83 Q84	Q81-F83 PolarHBondContact O-N 2.82Å; Q81-Q84 PolarHBondContact O-N 2.94Å
82	K	91.6	Very high	96.9	Very high	133 Å²	133	63.9 Å²	63.9	58%	0.578	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25.6	178.8	-177	173.7	179.7	175	0	114.1	A80	A80-K82 PolarHBondContact O-N 2.88Å; A80-K82 VanDerWaalsContact O-N 3.11Å
83	F	93.2	Very high	96.9	Very high	10 Å²	10	67.5 Å²	67.5	4%	0.044	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-108.3	-3.9	-173.1	-65.3	-77.4	0	0	0	113.6	R57 M67 A80 Q81 G85 R86 V87	R57-F83 HydrophobicContact CG-CE1 4.48Å; R57-F83 HydrophobicContact CG-CZ 3.91Å; M67-F83 HydrophobicContact CB-CD2 4.05Å; M67-F83 HydrophobicContact CB-CE2 4.28Å; M67-F83 HydrophobicContact CB-CG 4.21Å; M67-F83 HydrophobicContact CE-CD1 4.1Å; M67-F83 HydrophobicContact CE-CE1 4.24Å; M67-F83 HydrophobicContact CG-CD1 4.23Å; M67-F83 HydrophobicContact CG-CD2 4Å; M67-F83 HydrophobicContact CG-CE1 4.02Å; M67-F83 HydrophobicContact CG-CE2 3.76Å; M67-F83 HydrophobicContact CG-CG 4.22Å; M67-F83 HydrophobicContact CG-CZ 3.78Å; A80-F83 HydrophobicContact CB-CD2 4.04Å; A80-F83 PolarHBondContact O-N 3.33Å; Q81-F83 PolarHBondContact O-N 2.82Å; F83-G85 PolarHBondContact O-N 2.89Å; F83-R86 PolarHBondContact O-N 2.82Å; F83-V87 HydrophobicContact CB-CB 4.23Å; F83-V87 HydrophobicContact CB-CG2 3.67Å; F83-V87 HydrophobicContact CD1-CG2 3.75Å; F83-V87 HydrophobicContact CG-CG2 4.07Å; F83-V87 PolarHBondContact O-N 3.45Å; F83-V87 VanDerWaalsContact O-N 3.07Å
84	Q	93.9	Very high	96.9	Very high	121 Å²	121	66.3 Å²	66.3	57%	0.565	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	137.1	175.7	-71.7	-175	13.9	0	0	110.9	A80 Q81 R86	A80-Q84 PolarHBondContact O-N 2.79Å; Q81-Q84 PolarHBondContact O-N 2.94Å; Q84-R86 PolarHBondContact O-N 3.07Å; Q84-R86 VanDerWaalsContact O-N 3.11Å
85	G	94	Very high	96.9	Very high	84 Å²	84	66.1 Å²	66.1	87%	0.866	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	-9.3	-179.5	0	0	0	0	0	115.7	F83	F83-G85 PolarHBondContact O-N 2.89Å
86	R	94.7	Very high	96.9	Very high	39 Å²	39	67.2 Å²	67.2	15%	0.147	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-30.7	178.8	-67.3	-165.6	59.8	-145.2	-18.1	113.9	F83 Q84 S103 S104 D109	F83-R86 PolarHBondContact O-N 2.82Å; Q84-R86 PolarHBondContact O-N 3.07Å; Q84-R86 VanDerWaalsContact O-N 3.11Å; R86-S103 PolarHBondContact NH2-O 3.42Å; R86-S103 VanDerWaalsContact NH2-O 3.12Å; R86-S103 PolarHBondContact O-N 2.79Å; R86-S103 PolarHBondContact O-OG 3.11Å; R86-S104 PolarHBondContact NH2-O 3.11Å; R86-D109 IonicContact CZ-OD1 3.64Å; R86-D109 IonicContact CZ-OD2 3.31Å; R86-D109 IonicContact NH1-OD1 3.01Å; R86-D109 PolarHBondContact NH1-OD1 2.86Å; R86-D109 IonicContact NH1-OD2 3.4Å; R86-D109 PolarHBondContact NH1-OD2 3.04Å; R86-D109 VanDerWaalsContact NH2-CG 3.34Å; R86-D109 IonicContact NH2-OD1 2.65Å; R86-D109 PolarHBondContact NH2-OD1 3.17Å; R86-D109 IonicContact NH2-OD2 3.42Å; R86-D109 PolarHBondContact NH2-OD2 3.46Å
87	V	97.2	Very high	96.9	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.036	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.7	179.7	177.3	0	0	0	0	109.6	M67 Y79 F83 M89 T100 E101 L102	M67-V87 HydrophobicContact CE-CG1 4.22Å; M67-V87 HydrophobicContact CE-CG2 3.56Å; Y79-V87 HydrophobicContact CD1-CB 4.33Å; Y79-V87 HydrophobicContact CD1-CG1 4.31Å; Y79-V87 HydrophobicContact CE1-CB 4.36Å; Y79-V87 HydrophobicContact CE1-CG1 4.09Å; Y79-V87 WeakPolarHBondContact CE1-O 3.37Å; F83-V87 HydrophobicContact CB-CB 4.23Å; F83-V87 HydrophobicContact CB-CG2 3.67Å; F83-V87 HydrophobicContact CD1-CG2 3.75Å; F83-V87 HydrophobicContact CG-CG2 4.07Å; F83-V87 PolarHBondContact O-N 3.45Å; F83-V87 VanDerWaalsContact O-N 3.07Å; V87-M89 HydrophobicContact CG1-CE 3.78Å; V87-M89 HydrophobicContact CG1-CG 4.11Å; V87-T100 VanDerWaalsContact CG1-OG1 3.25Å; V87-T100 WeakPolarHBondContact CG1-OG1 3.48Å; V87-E101 CarbonylContact C-O 3.54Å; V87-E101 WeakPolarHBondContact CA-O 3.46Å; V87-L102 HydrophobicContact CG2-CD1 4.49Å; V87-L102 HydrophobicContact CG2-CG 4.07Å
88	T	98.1	Very high	96.9	Very high	73 Å²	73	62.8 Å²	62.8	45%	0.448	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.3	168.9	-63.6	0	0	0	0	108.8	T90 T100 E101	T88-T90 HydrophobicContact CG2-CG2 4.16Å; T88-T100 WeakPolarHBondContact O-CA 3.25Å; T88-E101 PolarHBondContact N-O 2.98Å; T88-E101 PolarHBondContact O-N 2.61Å
89	M	98.5	Very high	96.9	Very high	7 Å²	7	61 Å²	61	3%	0.034	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.1	176.1	-67.4	174.3	-174.4	0	0	109.9	W55 M67 G68 I70 T77 Y79 V87 Y99	W55-M89 HydrophobicContact CB-CE 3.72Å; W55-M89 VanDerWaalsContact CD1-SD 3.59Å; W55-M89 HydrophobicContact CG-CE 3.94Å; W55-M89 HydrophobicContact CG-SD 4.46Å; M67-M89 HydrophobicContact CB-CE 4.23Å; G68-M89 VanDerWaalsContact CA-CE 3.49Å; I70-M89 HydrophobicContact CB-CB 4.13Å; I70-M89 HydrophobicContact CD1-CB 4.14Å; I70-M89 WeakPolarHBondContact CD1-O 3.37Å; T77-M89 HydrophobicContact CG2-CB 4Å; Y79-M89 HydrophobicContact CD1-CE 4.27Å; Y79-M89 HydrophobicContact CD1-SD 4.42Å; Y79-M89 HydrophobicContact CE1-CB 4.36Å; Y79-M89 HydrophobicContact CE1-CE 4.28Å; Y79-M89 HydrophobicContact CE1-CG 3.94Å; Y79-M89 HydrophobicContact CE1-SD 4.03Å; Y79-M89 PolarHBondContact OH-N 2.77Å; V87-M89 HydrophobicContact CG1-CE 3.78Å; V87-M89 HydrophobicContact CG1-CG 4.11Å; M89-Y99 VanDerWaalsContact CA-O 3.31Å; M89-Y99 WeakPolarHBondContact CA-O 3.41Å
90	T	98.4	Very high	96.9	Very high	55 Å²	55	58.4 Å²	58.4	34%	0.337	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	169.9	177.3	59	0	0	0	0	110.7	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.16Å; T90-Y99 PolarHBondContact N-O 3.35Å; T90-Y99 PolarHBondContact O-N 3.17Å
91	R	98.4	Very high	97	Very high	112 Å²	112	61.1 Å²	61.1	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	148.6	-177.8	71.9	-72.5	175.7	-151.4	-1.4	110.4	F48 I70 T97	F48-R91 HydrophobicContact CE1-CB 4.43Å; I70-R91 HydrophobicContact CD1-CB 4.21Å; I70-R91 HydrophobicContact CD1-CG 4.39Å; R91-T97 CarbonylContact C-O 3.56Å; R91-T97 WeakPolarHBondContact CA-O 3.32Å
92	D	98.3	Very high	97.1	Very high	56 Å²	56	52.9 Å²	52.9	30%	0.299	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	105.1	167.6	-172.9	-20	0	0	0	108.2	S94 I95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.3Å; D92-S94 WeakPolarHBondContact OD1-CB 3.48Å; D92-S94 PolarHBondContact OD1-N 2.91Å; D92-S94 PolarHBondContact OD1-OG 3Å; D92-I95 HydrophobicContact CB-CD1 4.26Å; D92-I95 HydrophobicContact CB-CG1 3.82Å; D92-S96 PolarHBondContact O-N 3.39Å; D92-S96 VanDerWaalsContact O-N 3.11Å; D92-T97 PolarHBondContact N-O 2.9Å; D92-T97 PolarHBondContact O-N 2.9Å; D92-Y99 HydrophobicContact CB-CE2 4.16Å
93	T	98.1	Very high	97.3	Very high	77 Å²	77	48.3 Å²	48.3	47%	0.472	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-23.3	-177.9	52	0	0	0	0	112.2	F48 T49 P72 I95 S96	F48-T93 HydrophobicContact CD1-CG2 4.47Å; F48-T93 HydrophobicContact CE1-CG2 4.46Å; T49-T93 HydrophobicContact CG2-CG2 4Å; P72-T93 WeakPolarHBondContact O-CG2 3.28Å; T93-I95 PolarHBondContact O-N 2.88Å; T93-S96 PolarHBondContact O-N 3.31Å
94	S	98	Very high	97.4	Very high	98 Å²	98	51.1 Å²	51.1	69%	0.685	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-29.2	179.6	74.9	0	0	0	0	112.6	D92	D92-S94 VanDerWaalsContact C-N 3.3Å; D92-S94 WeakPolarHBondContact OD1-CB 3.48Å; D92-S94 PolarHBondContact OD1-N 2.91Å; D92-S94 PolarHBondContact OD1-OG 3Å
95	I	98	Very high	97.5	Very high	73 Å²	73	46.4 Å²	46.4	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	12.9	178.8	62.3	168.5	0	0	0	113.1	D92 T93 T97	D92-I95 HydrophobicContact CB-CD1 4.26Å; D92-I95 HydrophobicContact CB-CG1 3.82Å; T93-I95 PolarHBondContact O-N 2.88Å; I95-T97 VanDerWaalsContact C-N 3.31Å; I95-T97 PolarHBondContact O-N 2.92Å; I95-T97 PolarHBondContact O-OG1 3.45Å
96	S	98.2	Very high	97.6	Very high	37 Å²	37	49.1 Å²	49.1	26%	0.259	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	45.8	179.7	-62.3	0	0	0	0	113.8	A43 D92 T93	A43-S96 PolarHBondContact N-O 3.19Å; A43-S96 WeakPolarHBondContact O-CB 3.39Å; D92-S96 PolarHBondContact O-N 3.39Å; D92-S96 VanDerWaalsContact O-N 3.11Å; T93-S96 PolarHBondContact O-N 3.31Å
97	T	98.7	Very high	97.6	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129	-174.7	-58.1	0	0	0	0	111.3	C41 R91 D92 I95 Y99	C41-T97 WeakPolarHBondContact O-CA 2.91Å; R91-T97 CarbonylContact C-O 3.56Å; R91-T97 WeakPolarHBondContact CA-O 3.32Å; D92-T97 PolarHBondContact N-O 2.9Å; D92-T97 PolarHBondContact O-N 2.9Å; I95-T97 VanDerWaalsContact C-N 3.31Å; I95-T97 PolarHBondContact O-N 2.92Å; I95-T97 PolarHBondContact O-OG1 3.45Å; T97-Y99 HydrophobicContact CG2-CD1 4.35Å; T97-Y99 HydrophobicContact CG2-CD2 4.49Å; T97-Y99 HydrophobicContact CG2-CE1 3.72Å; T97-Y99 HydrophobicContact CG2-CE2 3.86Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.44Å
98	A	98.8	Very high	97.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	154.4	168.8	0	0	0	0	0	110.2	S40 C41 F48 M53 W55 I70	S40-A98 CarbonylContact C-O 3.58Å; S40-A98 WeakPolarHBondContact CA-O 3.18Å; C41-A98 PolarHBondContact N-O 3.4Å; C41-A98 PolarHBondContact O-N 3.11Å; F48-A98 HydrophobicContact CE2-CB 4.39Å; F48-A98 HydrophobicContact CZ-CB 4.08Å; M53-A98 HydrophobicContact CB-CB 4.04Å; M53-A98 HydrophobicContact CE-CB 4.39Å; M53-A98 HydrophobicContact CG-CB 3.65Å; W55-A98 HydrophobicContact CZ2-CB 4.1Å; I70-A98 HydrophobicContact CG2-CB 4.46Å
99	Y	98.7	Very high	97.2	Very high	47 Å²	47	54.4 Å²	54.4	18%	0.184	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.9	175.3	-51.7	-90.9	0	0	0	110.8	K38 V39 S40 M89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.38Å; K38-Y99 VanDerWaalsContact CE-CG 3.42Å; K38-Y99 HydrophobicContact CG-CD1 4.34Å; V39-Y99 CarbonylContact O-C 3.5Å; V39-Y99 WeakPolarHBondContact O-CA 3.3Å; S40-Y99 VanDerWaalsContact CB-CE1 3.45Å; M89-Y99 VanDerWaalsContact CA-O 3.31Å; M89-Y99 WeakPolarHBondContact CA-O 3.41Å; T90-Y99 PolarHBondContact N-O 3.35Å; T90-Y99 PolarHBondContact O-N 3.17Å; D92-Y99 HydrophobicContact CB-CE2 4.16Å; T97-Y99 HydrophobicContact CG2-CD1 4.35Å; T97-Y99 HydrophobicContact CG2-CD2 4.49Å; T97-Y99 HydrophobicContact CG2-CE1 3.72Å; T97-Y99 HydrophobicContact CG2-CE2 3.86Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.44Å
100	T	98.3	Very high	97.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.7	163.3	-168.8	0	0	0	0	109	K38 V39 W55 V87 T88 L102	K38-T100 WeakPolarHBondContact CA-O 3.34Å; V39-T100 HydrophobicContact CB-CG2 3.95Å; V39-T100 HydrophobicContact CG2-CG2 4.49Å; V39-T100 PolarHBondContact N-O 2.8Å; V39-T100 PolarHBondContact O-N 3.46Å; W55-T100 HydrophobicContact CD2-CG2 3.49Å; W55-T100 VanDerWaalsContact CD2-CG2 3.49Å; W55-T100 HydrophobicContact CE3-CG2 3.35Å; W55-T100 HydrophobicContact CG-CG2 4.11Å; W55-T100 HydrophobicContact CH2-CG2 3.91Å; W55-T100 HydrophobicContact CZ2-CG2 4.07Å; W55-T100 HydrophobicContact CZ3-CG2 3.57Å; V87-T100 VanDerWaalsContact CG1-OG1 3.25Å; V87-T100 WeakPolarHBondContact CG1-OG1 3.48Å; T88-T100 WeakPolarHBondContact O-CA 3.25Å; T100-L102 HydrophobicContact CG2-CD1 4.47Å
101	E	98.1	Very high	97.1	Very high	76 Å²	76	57.4 Å²	57.4	36%	0.355	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.6	176.4	-177.5	169.1	-152.6	0	0	109.4	V37 K38 V87 T88	V37-E101 CarbonylContact O-C 3.6Å; V37-E101 VanDerWaalsContact O-CA 3.28Å; V37-E101 WeakPolarHBondContact O-CA 3.07Å; K38-E101 HydrophobicContact CB-CB 4.34Å; K38-E101 HydrophobicContact CB-CG 4.34Å; K38-E101 HydrophobicContact CG-CB 4.37Å; V87-E101 CarbonylContact C-O 3.54Å; V87-E101 WeakPolarHBondContact CA-O 3.46Å; T88-E101 PolarHBondContact N-O 2.98Å; T88-E101 PolarHBondContact O-N 2.61Å
102	L	97	Very high	97	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.7	171.6	-74.1	74.9	0	0	0	108.4	S36 V37 M67 V87 T100 L105 D109 Y113	S36-L102 WeakPolarHBondContact CA-O 3.33Å; S36-L102 WeakPolarHBondContact CB-O 3.5Å; V37-L102 HydrophobicContact CG1-CB 4.18Å; V37-L102 PolarHBondContact N-O 2.87Å; V37-L102 PolarHBondContact O-N 2.8Å; M67-L102 HydrophobicContact CE-CD1 3.84Å; M67-L102 HydrophobicContact CE-CD2 4.28Å; M67-L102 HydrophobicContact CE-CG 4.25Å; V87-L102 HydrophobicContact CG2-CD1 4.49Å; V87-L102 HydrophobicContact CG2-CG 4.07Å; T100-L102 HydrophobicContact CG2-CD1 4.47Å; L102-L105 HydrophobicContact CB-CD2 3.94Å; L102-L105 HydrophobicContact CD2-CD2 4.47Å; L102-D109 HydrophobicContact CD2-CB 4.38Å; L102-Y113 HydrophobicContact CD1-CD1 4.44Å; L102-Y113 HydrophobicContact CD1-CE1 3.93Å; L102-Y113 HydrophobicContact CD2-CE1 3.66Å; L102-Y113 WeakPolarHBondContact CD2-OH 3.28Å; L102-Y113 HydrophobicContact CG-CE1 4.44Å
103	S	96	Very high	97	Very high	37 Å²	37	54.1 Å²	54.1	26%	0.259	31%	0.306	S	S	.	.			trans	-99.9	162.7	173.8	69.8	0	0	0	0	111.7	R86 L105	R86-S103 PolarHBondContact NH2-O 3.42Å; R86-S103 VanDerWaalsContact NH2-O 3.12Å; R86-S103 PolarHBondContact O-N 2.79Å; R86-S103 PolarHBondContact O-OG 3.11Å; S103-L105 PolarHBondContact O-N 2.94Å
104	S	95.8	Very high	96.9	Very high	69 Å²	69	54.8 Å²	54.8	48%	0.483	30%	0.301	S	S	.	.	S	Bend	trans	52.2	52.2	176.5	-53.3	0	0	0	0	112.1	A35 R86 R106	A35-S104 PolarHBondContact O-N 2.9Å; R86-S104 PolarHBondContact NH2-O 3.11Å; S104-R106 PolarHBondContact O-N 3.32Å
105	L	96.7	Very high	97	Very high	22 Å²	22	50.7 Å²	50.7	12%	0.115	27%	0.272	C	S	.	.			trans	-54.8	137	-173.4	-75.3	171.7	0	0	0	112.6	K31 P33 G34 A35 V37 L102 S103 D109	K31-L105 HydrophobicContact CB-CD1 3.69Å; K31-L105 HydrophobicContact CG-CD1 4.15Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.26Å; G34-L105 PolarHBondContact N-O 2.86Å; A35-L105 WeakPolarHBondContact O-CB 3.43Å; A35-L105 VanDerWaalsContact O-CG 3.25Å; A35-L105 WeakPolarHBondContact O-CG 3.4Å; A35-L105 PolarHBondContact O-N 2.97Å; V37-L105 HydrophobicContact CB-CD1 4.03Å; V37-L105 HydrophobicContact CG1-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD2 3.93Å; V37-L105 HydrophobicContact CG1-CG 4.44Å; L102-L105 HydrophobicContact CB-CD2 3.94Å; L102-L105 HydrophobicContact CD2-CD2 4.47Å; S103-L105 PolarHBondContact O-N 2.94Å; L105-D109 HydrophobicContact CD2-CB 3.91Å
106	R	95.3	Very high	96.9	Very high	141 Å²	141	49.2 Å²	49.2	53%	0.532	27%	0.27	S	S	.	.			trans	-118.2	162.1	177.7	-55	179.7	-177.3	-179.4	-2.2	109	S104 E108 D109	S104-R106 PolarHBondContact O-N 3.32Å; R106-E108 PolarHBondContact O-N 3.22Å; R106-D109 PolarHBondContact N-OD2 3.37Å; R106-D109 WeakPolarHBondContact O-CB 3.34Å; R106-D109 PolarHBondContact O-N 3.13Å
107	S	94.2	Very high	96.7	Very high	97 Å²	97	52.9 Å²	52.9	68%	0.678	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-54.7	-36.5	173.7	49.5	0	0	0	0	112.3	D109 T110	S107-D109 PolarHBondContact O-N 3.45Å; S107-T110 WeakPolarHBondContact O-CB 3.34Å; S107-T110 PolarHBondContact O-N 2.86Å; S107-T110 VanDerWaalsContact O-N 3.1Å; S107-T110 PolarHBondContact O-OG1 3.47Å
108	E	93.3	Very high	96.6	Very high	121 Å²	121	55.3 Å²	55.3	57%	0.565	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-64.5	-12.1	176.9	-63.5	172.9	-142.8	0	0	115.3	R57 R106 T110	R57-E108 PolarHBondContact NH1-O 2.96Å; R106-E108 PolarHBondContact O-N 3.22Å; E108-T110 VanDerWaalsContact C-N 3.3Å
109	D	95.4	Very high	96.5	Very high	11 Å²	11	58.2 Å²	58.2	6%	0.059	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-89	1.1	175.3	-55.3	-50.4	0	0	0	112.2	R86 L102 L105 R106 S107 A111 Y113	R86-D109 IonicContact CZ-OD1 3.64Å; R86-D109 IonicContact CZ-OD2 3.31Å; R86-D109 IonicContact NH1-OD1 3.01Å; R86-D109 PolarHBondContact NH1-OD1 2.86Å; R86-D109 IonicContact NH1-OD2 3.4Å; R86-D109 PolarHBondContact NH1-OD2 3.04Å; R86-D109 VanDerWaalsContact NH2-CG 3.34Å; R86-D109 IonicContact NH2-OD1 2.65Å; R86-D109 PolarHBondContact NH2-OD1 3.17Å; R86-D109 IonicContact NH2-OD2 3.42Å; R86-D109 PolarHBondContact NH2-OD2 3.46Å; L102-D109 HydrophobicContact CD2-CB 4.38Å; L105-D109 HydrophobicContact CD2-CB 3.91Å; R106-D109 PolarHBondContact N-OD2 3.37Å; R106-D109 WeakPolarHBondContact O-CB 3.34Å; R106-D109 PolarHBondContact O-N 3.13Å; S107-D109 PolarHBondContact O-N 3.45Å; D109-A111 PolarHBondContact O-N 2.9Å; D109-Y113 PolarHBondContact O-OH 2.75Å
110	T	96.1	Very high	96.4	Very high	101 Å²	101	58.8 Å²	58.8	62%	0.62	31%	0.313	S	S	*	.			trans	-68.3	101.3	171.7	-52.4	0	0	0	0	109.2	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.34Å; S107-T110 PolarHBondContact O-N 2.86Å; S107-T110 VanDerWaalsContact O-N 3.1Å; S107-T110 PolarHBondContact O-OG1 3.47Å; E108-T110 VanDerWaalsContact C-N 3.3Å
111	A	96.8	Very high	96.3	Very high	25 Å²	25	62.2 Å²	62.2	21%	0.207	33%	0.331	C	S	.	.	S	Bend	trans	-157.5	163	-174.2	0	0	0	0	0	110.7	R57 Q58 A59 D109 Y113	R57-A111 HydrophobicContact CB-CB 4.23Å; Q58-A111 CarbonylContact O-C 3.54Å; Q58-A111 WeakPolarHBondContact O-CA 3.37Å; Q58-A111 WeakPolarHBondContact O-CB 3.36Å; A59-A111 HydrophobicContact CB-CB 4.3Å; D109-A111 PolarHBondContact O-N 2.9Å; A111-Y113 HydrophobicContact CB-CE2 3.97Å; A111-Y113 WeakPolarHBondContact O-CD2 3.31Å; A111-Y113 WeakPolarHBondContact O-CE2 3.38Å
112	T	97	Very high	96.2	Very high	72 Å²	72	61.4 Å²	61.4	44%	0.442	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.7	162.1	-48.5	0	0	0	0	108.8	R57 Q58 Y114	R57-T112 CarbonylContact C-O 3.6Å; R57-T112 VanDerWaalsContact CA-O 3.3Å; R57-T112 WeakPolarHBondContact CA-O 3.11Å; Q58-T112 PolarHBondContact N-O 3.24Å; Q58-T112 PolarHBondContact O-N 3.4Å; T112-Y114 HydrophobicContact CG2-CD1 4.4Å; T112-Y114 HydrophobicContact CG2-CD2 4.46Å; T112-Y114 HydrophobicContact CG2-CE1 3.67Å; T112-Y114 HydrophobicContact CG2-CE2 3.73Å; T112-Y114 VanDerWaalsContact CG2-OH 3.28Å; T112-Y114 WeakPolarHBondContact CG2-OH 3.35Å
113	Y	97.5	Very high	96.1	Very high	27 Å²	27	65.5 Å²	65.5	11%	0.106	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.7	178	-68.3	-96.2	0	0	0	109	Q25 V56 R57 M67 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.47Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.3Å; R57-Y113 HydrophobicContact CB-CD1 3.84Å; R57-Y113 HydrophobicContact CB-CE1 3.75Å; R57-Y113 HydrophobicContact CB-CG 4.47Å; M67-Y113 HydrophobicContact CE-CD1 4.06Å; M67-Y113 HydrophobicContact CE-CE1 3.73Å; M67-Y113 HydrophobicContact SD-CD1 3.56Å; M67-Y113 VanDerWaalsContact SD-CD1 3.56Å; M67-Y113 HydrophobicContact SD-CE1 3.57Å; M67-Y113 VanDerWaalsContact SD-CE1 3.57Å; L102-Y113 HydrophobicContact CD1-CD1 4.44Å; L102-Y113 HydrophobicContact CD1-CE1 3.93Å; L102-Y113 HydrophobicContact CD2-CE1 3.66Å; L102-Y113 WeakPolarHBondContact CD2-OH 3.28Å; L102-Y113 HydrophobicContact CG-CE1 4.44Å; D109-Y113 PolarHBondContact O-OH 2.75Å; A111-Y113 HydrophobicContact CB-CE2 3.97Å; A111-Y113 WeakPolarHBondContact O-CD2 3.31Å; A111-Y113 WeakPolarHBondContact O-CE2 3.38Å
114	Y	97.8	Very high	96.1	Very high	91 Å²	91	67.5 Å²	67.5	36%	0.357	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.4	-178.1	-58.8	-76.3	0	0	0	109.8	Q25 W55 V56 Q58 L64 T112	Q25-Y114 VanDerWaalsContact OE1-CA 3.31Å; W55-Y114 WeakPolarHBondContact CA-O 3.43Å; V56-Y114 PolarHBondContact N-O 2.85Å; V56-Y114 PolarHBondContact O-N 3.1Å; Q58-Y114 HydrophobicContact CB-CE2 3.94Å; L64-Y114 HydrophobicContact CD2-CD2 4.32Å; L64-Y114 HydrophobicContact CD2-CE2 4.41Å; T112-Y114 HydrophobicContact CG2-CD1 4.4Å; T112-Y114 HydrophobicContact CG2-CD2 4.46Å; T112-Y114 HydrophobicContact CG2-CE1 3.67Å; T112-Y114 HydrophobicContact CG2-CE2 3.73Å; T112-Y114 VanDerWaalsContact CG2-OH 3.28Å; T112-Y114 WeakPolarHBondContact CG2-OH 3.35Å
115	C	98.3	Very high	96.1	Very high	12 Å²	12	67.4 Å²	67.4	8%	0.081	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.4	161.4	63.2	0	0	0	0	110.1	Q25 C41 M53 H54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.38Å; Q25-C115 PolarHBondContact OE1-SG 3.24Å; Q25-C115 VanDerWaalsContact OE1-SG 3.4Å; C41-C115 HydrophobicContact CB-CB 3.39Å; C41-C115 WeakPolarHBondContact CB-SG 3.47Å; C41-C115 WeakPolarHBondContact SG-CB 3.37Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.05Å; M53-C115 HydrophobicContact CG-CB 4.43Å; M53-C115 HydrophobicContact SD-CB 3.71Å; H54-C115 CarbonylContact O-C 3.52Å; H54-C115 WeakPolarHBondContact O-CA 3.42Å; W55-C115 HydrophobicContact CD2-CB 4.34Å; W55-C115 HydrophobicContact CE3-CB 3.92Å; W55-C115 HydrophobicContact CH2-CB 3.98Å; W55-C115 HydrophobicContact CZ2-CB 4.34Å; W55-C115 HydrophobicContact CZ3-CB 3.73Å
116	A	97.8	Very high	96.1	Very high	41 Å²	41	71.2 Å²	71.2	34%	0.339	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.9	176.9	0	0	0	0	0	109.9	M53 H54	M53-A116 VanDerWaalsContact SD-O 3.38Å; H54-A116 HydrophobicContact CB-CB 4.38Å; H54-A116 PolarHBondContact N-O 2.65Å; H54-A116 PolarHBondContact O-N 3.45Å
117	R	93.6	Very high	96.2	Very high	115 Å²	115	64.8 Å²	64.8	43%	0.434	35%	0.353	S	S	.	.			trans	-88	0	169.5	-174.5	-174.1	72.8	177.7	-0.4	109.8	Y46 Y51	Y46-R117 HydrophobicContact CE2-CG 4.04Å; Y51-R117 HydrophobicContact CD1-CG 4.02Å; Y51-R117 HydrophobicContact CD2-CG 4.35Å; Y51-R117 HydrophobicContact CG-CG 3.67Å

Retrieved 117 of 117 residues in 60.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).