A0A075B7B6_HUMAN Loading...

Immunoglobulin heavy variable 4/OR15-8 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7B6, Species HUMAN (Homo sapiens, Human), Gene IGHV4OR15-8, Length 117 aa.

						>A0A075B7B6_HUMAN|A0A075B7B6|IGHV4OR15-8
MKHLWFFLLLVAAPRWVLSQVQLQESGPGLVKPSETLSLTCVVSGGSISSSNWWSWVRQPPGKGLEWIGEIYHSGSPNYNPSLKSRVTISVDKSKNQFSLKLSSVTAADRAVYYCAR
					

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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	57.2	Low	62.5	Low	223 Å²	223	153.5 Å²	153.5	100%	1.099	74%	0.735	S	S	*	*				0	1	0	-116.1	170.2	-85.2	0	0	115.2
2	K	63.3	Low	62.7	Low	176 Å²	176	146.3 Å²	146.3	77%	0.765	72%	0.72	S	S	*	*			trans	-88.1	-26.2	179.7	-97.5	175.2	156.9	179.9	0	115.2
3	H	64.6	Low	63	Low	151 Å²	151	140.5 Å²	140.5	70%	0.699	71%	0.709	S	S	*	*	S	Bend	trans	-79.9	-21.4	-180	-59.1	-67.5	0	0	0	113.5	W5 F6 F7	H3-W5 VanDerWaalsContact C-N 3.26Å; H3-W5 PolarHBondContact O-N 3.32Å; H3-F6 PolarHBondContact O-N 3.34Å; H3-F7 WeakPolarHBondContact O-CD2 3.17Å
4	L	63.1	Low	63	Low	123 Å²	123	137.2 Å²	137.2	64%	0.644	70%	0.703	S	S	*	*	H	α-helix	trans	-65.6	-30.3	-179.5	-138.5	80.9	0	0	0	112.2	F7 L8	L4-F7 PolarHBondContact O-N 3.29Å; L4-L8 PolarHBondContact O-N 3.36Å
5	W	64.3	Low	63.1	Low	202 Å²	202	143.7 Å²	143.7	77%	0.765	72%	0.715	S	S	*	*	H	α-helix	trans	-70.9	-32.7	178.4	-101.3	-10.9	0	0	0	113.9	H3 F7 L8 L9	H3-W5 VanDerWaalsContact C-N 3.26Å; H3-W5 PolarHBondContact O-N 3.32Å; W5-F7 VanDerWaalsContact C-N 3.34Å; W5-L8 PolarHBondContact O-N 3.48Å; W5-L9 PolarHBondContact O-N 3.45Å
6	F	62.2	Low	63.3	Low	151 Å²	151	148.3 Å²	148.3	66%	0.662	72%	0.721	S	S	*	*	H	α-helix	trans	-67.8	-36.1	175.9	-81.6	-81.9	0	0	0	112	H3 L8 L9	H3-F6 PolarHBondContact O-N 3.34Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L9 PolarHBondContact O-N 3.45Å
7	F	62	Low	63.8	Low	146 Å²	146	146.7 Å²	146.7	64%	0.64	72%	0.723	S	S	*	*	H	α-helix	trans	-66.9	-34.4	174	-69.7	-72.2	0	0	0	112.4	H3 L4 W5 L9 L10	H3-F7 WeakPolarHBondContact O-CD2 3.17Å; L4-F7 PolarHBondContact O-N 3.29Å; W5-F7 VanDerWaalsContact C-N 3.34Å; F7-L9 VanDerWaalsContact C-N 3.35Å; F7-L9 PolarHBondContact O-N 3.29Å; F7-L10 PolarHBondContact O-N 3.47Å
8	L	62.1	Low	64.2	Low	112 Å²	112	146.7 Å²	146.7	59%	0.586	73%	0.725	S	S	*	*	H	α-helix	trans	-66.4	-31.9	178.7	-106.3	145.8	0	0	0	113.5	L4 W5 F6	L4-L8 PolarHBondContact O-N 3.36Å; W5-L8 PolarHBondContact O-N 3.48Å; F6-L8 VanDerWaalsContact C-N 3.34Å
9	L	61.6	Low	64.7	Low	133 Å²	133	143.6 Å²	143.6	70%	0.696	72%	0.719	S	S	*	*	H	α-helix	trans	-74.2	-31.9	178.3	-88.5	155.9	0	0	0	113.5	W5 F6 F7 V11 A12	W5-L9 PolarHBondContact O-N 3.45Å; F6-L9 PolarHBondContact O-N 3.45Å; F7-L9 VanDerWaalsContact C-N 3.35Å; F7-L9 PolarHBondContact O-N 3.29Å; L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.29Å; L9-A12 PolarHBondContact O-N 3.02Å
10	L	61.2	Low	65.8	Low	144 Å²	144	144.5 Å²	144.5	75%	0.754	72%	0.721	S	S	*	*	H	α-helix	trans	-71.6	-24.4	178.7	-88.2	158.4	0	0	0	113.4	F7 A12	F7-L10 PolarHBondContact O-N 3.47Å; L10-A12 VanDerWaalsContact C-N 3.29Å
11	V	65.6	Low	67.1	Low	127 Å²	127	139 Å²	139	77%	0.77	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-13.5	177.1	-172.2	0	0	0	0	111.9	L9 A13	L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.29Å; V11-A13 PolarHBondContact O-N 3.29Å
12	A	65.6	Low	68.9	Low	67 Å²	67	134.5 Å²	134.5	55%	0.554	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	18.4	-176.4	0	0	0	0	0	114.5	L9 L10 P14	L9-A12 PolarHBondContact O-N 3.02Å; L10-A12 VanDerWaalsContact C-N 3.29Å; A12-P14 WeakPolarHBondContact O-CD 3.49Å; A12-P14 VanDerWaalsContact O-N 3.16Å
13	A	65.8	Low	70.5	Confident	71 Å²	71	128.3 Å²	128.3	59%	0.587	65%	0.646	S	S	*	*			trans	-71.4	103.9	164.4	0	0	0	0	0	107.4	V11 R15	V11-A13 PolarHBondContact O-N 3.29Å; A13-R15 PolarHBondContact O-N 3.31Å
14	P	64	Low	72.1	Confident	95 Å²	95	127.6 Å²	127.6	62%	0.617	64%	0.643	S	S	*	*			trans	-67.8	116.4	178.7	7.3	10	0	0	0	105	A12 W16	A12-P14 WeakPolarHBondContact O-CD 3.49Å; A12-P14 VanDerWaalsContact O-N 3.16Å; P14-W16 PolarHBondContact O-N 3.45Å
15	R	63.6	Low	73.8	Confident	234 Å²	234	125.4 Å²	125.4	88%	0.883	63%	0.63	S	S	*	*			trans	-71.9	80.1	176	-66.7	-176.4	178.8	-167.6	-0.7	107.3	A13 V17	A13-R15 PolarHBondContact O-N 3.31Å; R15-V17 HydrophobicContact CB-CG2 4.36Å; R15-V17 PolarHBondContact O-N 3.43Å
16	W	65.9	Low	75.4	Confident	217 Å²	217	118.6 Å²	118.6	82%	0.822	61%	0.613	S	S	*	*			trans	-70.2	70.3	164.8	-69.9	63.8	0	0	0	107.2	P14 L18	P14-W16 PolarHBondContact O-N 3.45Å; W16-L18 PolarHBondContact O-N 2.92Å
17	V	72.9	Confident	77.1	Confident	122 Å²	122	114 Å²	114	74%	0.739	61%	0.608	S	S	*	*			trans	-76.2	91.8	164.5	178.4	0	0	0	0	104.6	R15 S19	R15-V17 HydrophobicContact CB-CG2 4.36Å; R15-V17 PolarHBondContact O-N 3.43Å; V17-S19 PolarHBondContact O-N 3.49Å
18	L	70	Confident	78.8	Confident	146 Å²	146	110 Å²	110	76%	0.764	60%	0.597	S	S	*	*			trans	-54.5	125.5	159.9	-67.5	175.4	0	0	0	105.9	W16 Q20	W16-L18 PolarHBondContact O-N 2.92Å; L18-Q20 PolarHBondContact O-N 3.21Å
19	S	73.5	Confident	80.3	Confident	88 Å²	88	109 Å²	109	62%	0.615	61%	0.613	S	S	*	*			trans	-58.8	105.3	176.5	176.9	0	0	0	0	108.1	V17 G45	V17-S19 PolarHBondContact O-N 3.49Å; S19-G45 VanDerWaalsContact OG-CA 3.29Å; S19-G45 WeakPolarHBondContact OG-CA 3.47Å
20	Q	87.8	Confident	81.9	Confident	162 Å²	162	110.3 Å²	110.3	76%	0.757	62%	0.62	S	S	*	*			trans	-69.7	141.8	175	-173.4	178.5	-33.8	0	0	108.7	L18 Q22	L18-Q20 PolarHBondContact O-N 3.21Å; Q20-Q22 PolarHBondContact O-N 2.99Å
21	V	92.5	Very high	83.6	Confident	28 Å²	28	104.7 Å²	104.7	17%	0.17	59%	0.592	C	S	.	*			trans	-64.5	130.5	171.8	173.8	0	0	0	0	109.1	L23 V43 S44	V21-L23 HydrophobicContact CG1-CD2 4.42Å; V21-V43 HydrophobicContact CG1-CG1 4.14Å; V21-S44 WeakPolarHBondContact CA-O 3.39Å
22	Q	95.3	Very high	85.1	Confident	130 Å²	130	105.5 Å²	105.5	61%	0.607	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.3	143.8	174.6	-56.8	175.4	-45.9	0	0	109.5	Q20 S44	Q20-Q22 PolarHBondContact O-N 2.99Å; Q22-S44 WeakPolarHBondContact CB-OG 3.37Å; Q22-S44 PolarHBondContact N-O 3.17Å; Q22-S44 PolarHBondContact O-N 2.85Å
23	L	97.6	Very high	86.6	Confident	46 Å²	46	107.3 Å²	107.3	24%	0.241	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.6	133.9	177.2	-60	-179.1	0	0	0	108	V21 V42 V43 W54 C115 R117	V21-L23 HydrophobicContact CG1-CD2 4.42Å; L23-V42 WeakPolarHBondContact CA-O 3.35Å; L23-V43 HydrophobicContact CD2-CB 4.35Å; L23-V43 HydrophobicContact CD2-CG1 4.34Å; L23-V43 HydrophobicContact CD2-CG2 3.8Å; L23-W54 HydrophobicContact CD2-CE3 4.28Å; L23-W54 HydrophobicContact CD2-CZ3 3.87Å; L23-C115 HydrophobicContact CB-CB 4.02Å; L23-C115 HydrophobicContact CD1-CB 3.8Å; L23-C115 HydrophobicContact CG-CB 4.43Å; L23-R117 HydrophobicContact CD1-CB 4.41Å
24	Q	98.1	Very high	88	Confident	136 Å²	136	108.7 Å²	108.7	64%	0.636	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.2	110.2	179.8	-175.5	177	-9.8	0	0	110.5	C41 V42	Q24-C41 WeakPolarHBondContact O-CA 3.43Å; Q24-V42 HydrophobicContact CB-CB 4.46Å; Q24-V42 PolarHBondContact N-O 3.3Å; Q24-V42 PolarHBondContact O-N 3.35Å
25	E	98.5	Very high	89.7	Confident	76 Å²	76	108.3 Å²	108.3	36%	0.355	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.7	143.3	174.5	-62.1	76.3	-177.2	0	0	111.6	T40 W56 C115	E25-T40 CarbonylContact C-O 3.59Å; E25-T40 WeakPolarHBondContact CA-O 3.08Å; E25-W56 HydrophobicContact CG-CZ3 4.24Å; E25-C115 HydrophobicContact CG-CB 4.46Å; E25-C115 VanDerWaalsContact CG-SG 3.54Å; E25-C115 WeakPolarHBondContact OE1-CB 3.46Å; E25-C115 PolarHBondContact OE1-N 3.04Å
26	S	98.4	Very high	91.3	Very high	60 Å²	60	100.5 Å²	100.5	42%	0.42	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.9	153.4	171.6	57.4	0	0	0	0	110.9	L39 T40	S26-L39 CarbonylContact O-C 3.57Å; S26-L39 WeakPolarHBondContact O-CA 3.41Å; S26-T40 PolarHBondContact N-O 3.12Å; S26-T40 PolarHBondContact O-N 3.28Å; S26-T40 PolarHBondContact OG-O 2.91Å
27	G	97.9	Very high	92.9	Very high	53 Å²	53	90.9 Å²	90.9	55%	0.546	53%	0.529	S	S	.	.			trans	158.3	-176	178.1	0	0	0	0	0	112.2
28	P	96.8	Very high	94.1	Very high	63 Å²	63	87.6 Å²	87.6	41%	0.409	51%	0.512	S	S	.	.			trans	-70.9	135.7	-179.5	30.3	-33.6	0	0	0	110.8	L30 V31 L37 S38	P28-L30 VanDerWaalsContact C-N 3.33Å; P28-V31 HydrophobicContact CB-CG2 3.98Å; P28-V31 HydrophobicContact CG-CG2 3.53Å; P28-L37 HydrophobicContact CG-CD1 3.82Å; P28-S38 WeakPolarHBondContact CD-O 3.39Å
29	G	94.2	Very high	95.5	Very high	91 Å²	91	81.5 Å²	81.5	94%	0.938	48%	0.48	S	S	*	.	S	Bend	trans	-74.1	-22.7	176.2	0	0	0	0	0	114.1
30	L	94.7	Very high	96.7	Very high	160 Å²	160	78.9 Å²	78.9	84%	0.838	46%	0.461	S	S	*	.			trans	-142.8	139.2	177.4	-175.9	65.8	0	0	0	109.5	P28	P28-L30 VanDerWaalsContact C-N 3.33Å
31	V	96.8	Very high	97.2	Very high	27 Å²	27	71.2 Å²	71.2	16%	0.164	43%	0.425	C	S	.	.			trans	-135.3	140.8	179.2	177	0	0	0	0	107.5	P28 E35 L37 V105	P28-V31 HydrophobicContact CB-CG2 3.98Å; P28-V31 HydrophobicContact CG-CG2 3.53Å; V31-E35 HydrophobicContact CG1-CB 3.48Å; V31-E35 VanDerWaalsContact CG1-CB 3.48Å; V31-L37 HydrophobicContact CG2-CB 4.42Å; V31-L37 HydrophobicContact CG2-CD1 3.89Å; V31-V105 HydrophobicContact CG1-CG2 4.38Å
32	K	96.6	Very high	97.5	Very high	143 Å²	143	72.3 Å²	72.3	62%	0.622	43%	0.431	S	S	*	.			trans	-74.7	157.6	180	-57.6	-179.5	-172.5	169.1	0	110.5	S34 E35	K32-S34 PolarHBondContact O-N 2.97Å; K32-E35 HydrophobicContact CB-CG 4.05Å; K32-E35 WeakPolarHBondContact CD-OE1 3.04Å; K32-E35 PolarHBondContact N-OE2 3.4Å; K32-E35 WeakPolarHBondContact O-CB 3.34Å; K32-E35 PolarHBondContact O-N 3.33Å
33	P	96.8	Very high	97.5	Very high	106 Å²	106	66.3 Å²	66.3	69%	0.688	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	143.2	171	-26.3	35.5	0	0	0	111.8	E35 V105	P33-E35 PolarHBondContact O-N 2.78Å; P33-E35 VanDerWaalsContact O-N 3.12Å; P33-V105 WeakPolarHBondContact CA-O 3.39Å
34	S	96.9	Very high	97.4	Very high	99 Å²	99	66.3 Å²	66.3	69%	0.692	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	-4.3	-178.7	-53.5	0	0	0	0	116.4	K32 V105	K32-S34 PolarHBondContact O-N 2.97Å; S34-V105 PolarHBondContact N-O 2.78Å
35	E	98	Very high	97.2	Very high	87 Å²	87	61.7 Å²	61.7	41%	0.407	40%	0.396	S	S	.	.	S	Bend	trans	-76.5	176	170.2	-69.8	179.3	171	0	0	111.3	V31 K32 P33 S104 V105	V31-E35 HydrophobicContact CG1-CB 3.48Å; V31-E35 VanDerWaalsContact CG1-CB 3.48Å; K32-E35 HydrophobicContact CB-CG 4.05Å; K32-E35 WeakPolarHBondContact CD-OE1 3.04Å; K32-E35 PolarHBondContact N-OE2 3.4Å; K32-E35 WeakPolarHBondContact O-CB 3.34Å; K32-E35 PolarHBondContact O-N 3.33Å; P33-E35 PolarHBondContact O-N 2.78Å; P33-E35 VanDerWaalsContact O-N 3.12Å; E35-S104 PolarHBondContact O-N 3.01Å; E35-V105 WeakPolarHBondContact O-CG2 3.47Å; E35-V105 PolarHBondContact O-N 3.28Å
36	T	98.3	Very high	96.8	Very high	70 Å²	70	59.6 Å²	59.6	43%	0.429	40%	0.395	S	S	.	.			trans	-103	120.3	176.5	-60.3	0	0	0	0	110.4	K101 L102	T36-K101 HydrophobicContact CG2-CB 4.21Å; T36-L102 CarbonylContact C-O 3.53Å; T36-L102 WeakPolarHBondContact CA-O 3.39Å
37	L	98.5	Very high	96.6	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.079	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.3	167.3	172.1	64	0	0	0	108.9	P28 V31 L39 K101 L102 V105 Y113	P28-L37 HydrophobicContact CG-CD1 3.82Å; V31-L37 HydrophobicContact CG2-CB 4.42Å; V31-L37 HydrophobicContact CG2-CD1 3.89Å; L37-L39 HydrophobicContact CD1-CD2 3.85Å; L37-L39 HydrophobicContact CD1-CG 4.03Å; L37-L39 HydrophobicContact CD2-CD1 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD1 4.33Å; L37-L39 HydrophobicContact CG-CD2 4.38Å; L37-L39 HydrophobicContact CG-CG 4Å; L37-K101 CarbonylContact O-C 3.57Å; L37-K101 WeakPolarHBondContact O-CA 3.2Å; L37-L102 HydrophobicContact CB-CB 4.29Å; L37-L102 HydrophobicContact CD2-CD2 4.5Å; L37-L102 PolarHBondContact N-O 2.81Å; L37-L102 PolarHBondContact O-N 3.35Å; L37-V105 HydrophobicContact CB-CG2 3.74Å; L37-Y113 HydrophobicContact CD2-CD2 4.35Å; L37-Y113 HydrophobicContact CD2-CE1 4.1Å; L37-Y113 HydrophobicContact CD2-CE2 3.78Å
38	S	98.6	Very high	96.4	Very high	54 Å²	54	57 Å²	57	38%	0.378	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.3	175.9	-62.9	0	0	0	0	109.8	P28 L100	P28-S38 WeakPolarHBondContact CD-O 3.39Å; S38-L100 WeakPolarHBondContact CA-O 3.21Å
39	L	98.8	Very high	96.3	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.089	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.3	179	-61.1	175.2	0	0	0	110.2	S26 L37 W56 S99 L100 Y113	S26-L39 CarbonylContact O-C 3.57Å; S26-L39 WeakPolarHBondContact O-CA 3.41Å; L37-L39 HydrophobicContact CD1-CD2 3.85Å; L37-L39 HydrophobicContact CD1-CG 4.03Å; L37-L39 HydrophobicContact CD2-CD1 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD1 4.33Å; L37-L39 HydrophobicContact CG-CD2 4.38Å; L37-L39 HydrophobicContact CG-CG 4Å; L39-W56 HydrophobicContact CB-CH2 3.64Å; L39-W56 HydrophobicContact CB-CZ2 4.09Å; L39-W56 HydrophobicContact CB-CZ3 4.06Å; L39-W56 HydrophobicContact CD1-CE3 4.5Å; L39-W56 HydrophobicContact CD1-CZ3 4.07Å; L39-S99 CarbonylContact O-C 3.51Å; L39-S99 WeakPolarHBondContact O-CA 3.36Å; L39-S99 VanDerWaalsContact O-CB 3.23Å; L39-S99 WeakPolarHBondContact O-CB 3.46Å; L39-L100 HydrophobicContact CB-CB 4.37Å; L39-L100 HydrophobicContact CD1-CD2 4.26Å; L39-L100 PolarHBondContact N-O 3.01Å; L39-L100 PolarHBondContact O-N 2.95Å; L39-Y113 VanDerWaalsContact CD1-CB 3.43Å; L39-Y113 HydrophobicContact CD1-CD1 3.59Å; L39-Y113 HydrophobicContact CD1-CD2 4.13Å; L39-Y113 HydrophobicContact CD1-CE1 4.34Å; L39-Y113 HydrophobicContact CD1-CG 3.46Å; L39-Y113 VanDerWaalsContact CD1-CG 3.46Å
40	T	98.7	Very high	96	Very high	34 Å²	34	53.8 Å²	53.8	21%	0.209	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.4	176.9	-64.8	0	0	0	0	109.7	E25 S26 Q97 S99	E25-T40 CarbonylContact C-O 3.59Å; E25-T40 WeakPolarHBondContact CA-O 3.08Å; S26-T40 PolarHBondContact N-O 3.12Å; S26-T40 PolarHBondContact O-N 3.28Å; S26-T40 PolarHBondContact OG-O 2.91Å; T40-Q97 HydrophobicContact CG2-CB 4.11Å; T40-Q97 HydrophobicContact CG2-CG 4.22Å; T40-S99 PolarHBondContact OG1-OG 3.41Å
41	C	98.5	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.8	175.5	-159.5	0	0	0	0	110.9	Q24 W56 Q97 F98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.43Å; C41-W56 HydrophobicContact CB-CH2 3.98Å; C41-W56 HydrophobicContact CB-CZ2 3.71Å; C41-Q97 CarbonylContact O-C 3.59Å; C41-Q97 WeakPolarHBondContact O-CA 3.36Å; C41-Q97 WeakPolarHBondContact O-CB 3.37Å; C41-F98 HydrophobicContact CB-CD1 3.72Å; C41-F98 HydrophobicContact CB-CD2 4.44Å; C41-F98 HydrophobicContact CB-CE1 3.37Å; C41-F98 HydrophobicContact CB-CE2 4.14Å; C41-F98 HydrophobicContact CB-CG 4.24Å; C41-F98 HydrophobicContact CB-CZ 3.6Å; C41-F98 PolarHBondContact N-O 2.61Å; C41-F98 PolarHBondContact O-N 3.07Å; C41-F98 VanDerWaalsContact SG-CE1 3.53Å; C41-C115 HydrophobicContact CB-CB 4.04Å; C41-C115 WeakPolarHBondContact CB-SG 3.14Å; C41-C115 WeakPolarHBondContact SG-CB 3.1Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.03Å
42	V	98.3	Very high	95.2	Very high	52 Å²	52	51.3 Å²	51.3	32%	0.315	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.6	175.2	-179.6	0	0	0	0	109.2	L23 Q24	L23-V42 WeakPolarHBondContact CA-O 3.35Å; Q24-V42 HydrophobicContact CB-CB 4.46Å; Q24-V42 PolarHBondContact N-O 3.3Å; Q24-V42 PolarHBondContact O-N 3.35Å
43	V	96.9	Very high	95.1	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129	173.9	-176.1	0	0	0	0	108.5	V21 L23 I48 W54 N96 F98	V21-V43 HydrophobicContact CG1-CG1 4.14Å; L23-V43 HydrophobicContact CD2-CB 4.35Å; L23-V43 HydrophobicContact CD2-CG1 4.34Å; L23-V43 HydrophobicContact CD2-CG2 3.8Å; V43-I48 HydrophobicContact CG2-CB 4.47Å; V43-I48 HydrophobicContact CG2-CD1 4.19Å; V43-I48 HydrophobicContact CG2-CG1 4.37Å; V43-W54 HydrophobicContact CG1-CH2 3.71Å; V43-W54 HydrophobicContact CG1-CZ2 4.43Å; V43-W54 HydrophobicContact CG1-CZ3 4.08Å; V43-W54 HydrophobicContact CG2-CE3 4.21Å; V43-W54 HydrophobicContact CG2-CH2 4.14Å; V43-W54 HydrophobicContact CG2-CZ3 3.95Å; V43-N96 WeakPolarHBondContact CB-O 3.43Å; V43-N96 PolarHBondContact N-O 3.35Å; V43-N96 PolarHBondContact O-ND2 2.95Å; V43-F98 HydrophobicContact CG2-CD1 4.32Å; V43-F98 HydrophobicContact CG2-CE1 4.25Å
44	S	95.6	Very high	95.2	Very high	47 Å²	47	44.1 Å²	44.1	33%	0.329	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.6	171.3	67.2	0	0	0	0	110.9	V21 Q22 G46	V21-S44 WeakPolarHBondContact CA-O 3.39Å; Q22-S44 WeakPolarHBondContact CB-OG 3.37Å; Q22-S44 PolarHBondContact N-O 3.17Å; Q22-S44 PolarHBondContact O-N 2.85Å; S44-G46 PolarHBondContact O-N 2.85Å; S44-G46 VanDerWaalsContact O-N 3.11Å
45	G	93	Very high	95.2	Very high	39 Å²	39	40 Å²	40	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	66.5	8.5	-172.4	0	0	0	0	0	114.4	S19	S19-G45 VanDerWaalsContact OG-CA 3.29Å; S19-G45 WeakPolarHBondContact OG-CA 3.47Å
46	G	90.7	Very high	95.3	Very high	32 Å²	32	36 Å²	36	33%	0.33	24%	0.235	S	C	.	.	S	Bend	trans	-162.7	175.7	-179.7	0	0	0	0	0	111.6	S44 N96	S44-G46 PolarHBondContact O-N 2.85Å; S44-G46 VanDerWaalsContact O-N 3.11Å; G46-N96 PolarHBondContact O-ND2 3.01Å
47	S	93.8	Very high	95.3	Very high	57 Å²	57	33.7 Å²	33.7	40%	0.399	22%	0.221	S	C	.	.			trans	-114.1	131	179.1	179.5	0	0	0	0	110.7	S49 S50	S47-S49 PolarHBondContact O-N 2.78Å; S47-S49 PolarHBondContact OG-N 3.38Å; S47-S50 VanDerWaalsContact O-CB 3.22Å; S47-S50 WeakPolarHBondContact O-CB 3.1Å; S47-S50 PolarHBondContact O-N 2.9Å; S47-S50 PolarHBondContact O-OG 2.98Å
48	I	94	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.3	173.8	-156.2	163	0	0	0	112.3	V43 S50 W54 H73 V91 K93 N96 Q97 F98	V43-I48 HydrophobicContact CG2-CB 4.47Å; V43-I48 HydrophobicContact CG2-CD1 4.19Å; V43-I48 HydrophobicContact CG2-CG1 4.37Å; I48-S50 PolarHBondContact O-N 2.89Å; I48-W54 HydrophobicContact CG1-CD2 4.37Å; I48-W54 HydrophobicContact CG1-CG 4.33Å; I48-W54 HydrophobicContact CG1-CZ2 4.42Å; I48-W54 PolarHBondContact O-NE1 2.85Å; I48-W54 VanDerWaalsContact O-NE1 3.14Å; I48-H73 VanDerWaalsContact O-CB 3.28Å; I48-H73 WeakPolarHBondContact O-CB 3.37Å; I48-V91 HydrophobicContact CD1-CG2 3.57Å; I48-V91 HydrophobicContact CG1-CG2 3.79Å; I48-V91 HydrophobicContact CG2-CG2 4.29Å; I48-K93 HydrophobicContact CG2-CB 4.43Å; I48-K93 HydrophobicContact CG2-CG 4.25Å; I48-N96 WeakPolarHBondContact CB-OD1 3.42Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.07Å; I48-N96 PolarHBondContact N-OD1 3.09Å; I48-Q97 WeakPolarHBondContact CD1-O 3.29Å; I48-F98 HydrophobicContact CD1-CB 3.88Å; I48-F98 HydrophobicContact CD1-CD1 3.84Å; I48-F98 HydrophobicContact CD1-CG 4.31Å
49	S	93.6	Very high	95.3	Very high	52 Å²	52	34.7 Å²	34.7	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.6	174.5	-58.7	0	0	0	0	113.7	S47	S47-S49 PolarHBondContact O-N 2.78Å; S47-S49 PolarHBondContact OG-N 3.38Å
50	S	87.9	Confident	95.2	Very high	36 Å²	36	34.5 Å²	34.5	25%	0.252	22%	0.218	S	C	.	.	S	Bend	trans	-65.4	163.2	171.7	59.3	0	0	0	0	111.6	S47 I48 N52 H73	S47-S50 VanDerWaalsContact O-CB 3.22Å; S47-S50 WeakPolarHBondContact O-CB 3.1Å; S47-S50 PolarHBondContact O-N 2.9Å; S47-S50 PolarHBondContact O-OG 2.98Å; I48-S50 PolarHBondContact O-N 2.89Å; S50-N52 PolarHBondContact O-N 3.34Å; S50-N52 PolarHBondContact OG-ND2 3.43Å; S50-H73 PolarHBondContact O-ND1 2.95Å
51	S	85.7	Confident	95.2	Very high	88 Å²	88	36.8 Å²	36.8	62%	0.615	23%	0.234	S	C	*	.	S	Bend	trans	-75.3	48.5	177.8	57.7	0	0	0	0	112.9	Y72	S51-Y72 VanDerWaalsContact C-CE2 3.46Å; S51-Y72 WeakPolarHBondContact CA-OH 3.47Å; S51-Y72 WeakPolarHBondContact CB-OH 3.49Å
52	N	89.5	Confident	95.1	Very high	47 Å²	47	41.3 Å²	41.3	25%	0.251	28%	0.28	S	S	.	.			trans	-116	152.3	179.9	-66.3	-50	0	0	0	110.7	S50 W54 Y72 R117	S50-N52 PolarHBondContact O-N 3.34Å; S50-N52 PolarHBondContact OG-ND2 3.43Å; N52-W54 HydrophobicContact CB-CZ2 4.07Å; N52-Y72 VanDerWaalsContact O-CD2 3.23Å; N52-Y72 WeakPolarHBondContact O-CD2 3.41Å; N52-R117 HydrophobicContact CB-CG 4.01Å
53	W	95.9	Very high	95.1	Very high	96 Å²	96	46 Å²	46	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	168	-70.8	93.1	0	0	0	109.3	E70 Y72 S76 N78	W53-E70 HydrophobicContact CD2-CG 4.28Å; W53-E70 HydrophobicContact CE3-CB 4.12Å; W53-E70 HydrophobicContact CE3-CG 3.45Å; W53-E70 VanDerWaalsContact CE3-CG 3.45Å; W53-E70 HydrophobicContact CZ3-CG 3.82Å; W53-Y72 AromaticContact CD2-CD2 3.95Å; W53-Y72 HydrophobicContact CD2-CD2 3.95Å; W53-Y72 HydrophobicContact CD2-CG 4.47Å; W53-Y72 AromaticContact CE2-CD2 3.89Å; W53-Y72 HydrophobicContact CE3-CD2 4.47Å; W53-Y72 HydrophobicContact CG-CD2 4.15Å; W53-Y72 HydrophobicContact CZ2-CD2 4.4Å; W53-Y72 HydrophobicContact CZ2-CG 4.42Å; W53-Y72 AromaticContact NE1-CD2 3.99Å; W53-S76 WeakPolarHBondContact CZ3-O 3.5Å; W53-N78 WeakPolarHBondContact CH2-ND2 3.46Å
54	W	97.3	Very high	95.1	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.7	179.6	-56.1	101.4	0	0	0	108.7	L23 V43 I48 N52 E70 I71 F98 R117	L23-W54 HydrophobicContact CD2-CE3 4.28Å; L23-W54 HydrophobicContact CD2-CZ3 3.87Å; V43-W54 HydrophobicContact CG1-CH2 3.71Å; V43-W54 HydrophobicContact CG1-CZ2 4.43Å; V43-W54 HydrophobicContact CG1-CZ3 4.08Å; V43-W54 HydrophobicContact CG2-CE3 4.21Å; V43-W54 HydrophobicContact CG2-CH2 4.14Å; V43-W54 HydrophobicContact CG2-CZ3 3.95Å; I48-W54 HydrophobicContact CG1-CD2 4.37Å; I48-W54 HydrophobicContact CG1-CG 4.33Å; I48-W54 HydrophobicContact CG1-CZ2 4.42Å; I48-W54 PolarHBondContact O-NE1 2.85Å; I48-W54 VanDerWaalsContact O-NE1 3.14Å; N52-W54 HydrophobicContact CB-CZ2 4.07Å; W54-E70 CarbonylContact O-C 3.46Å; W54-E70 VanDerWaalsContact O-CA 3.23Å; W54-E70 WeakPolarHBondContact O-CA 3.43Å; W54-I71 HydrophobicContact CB-CG2 4.27Å; W54-I71 PolarHBondContact N-O 3.4Å; W54-I71 PolarHBondContact O-N 3.26Å; W54-F98 HydrophobicContact CB-CD1 3.9Å; W54-F98 HydrophobicContact CB-CD2 3.93Å; W54-F98 HydrophobicContact CB-CE1 3.78Å; W54-F98 HydrophobicContact CB-CE2 3.82Å; W54-F98 HydrophobicContact CB-CG 3.99Å; W54-F98 HydrophobicContact CB-CZ 3.75Å; W54-F98 HydrophobicContact CD2-CE1 4.37Å; W54-F98 HydrophobicContact CE3-CE1 4.15Å; W54-F98 HydrophobicContact CG-CD1 4.27Å; W54-F98 HydrophobicContact CG-CE1 4.26Å; W54-R117 HydrophobicContact CE3-CB 3.76Å; W54-R117 HydrophobicContact CE3-CG 3.79Å; W54-R117 HydrophobicContact CH2-CB 4.41Å; W54-R117 HydrophobicContact CH2-CG 3.87Å; W54-R117 HydrophobicContact CZ3-CB 3.53Å; W54-R117 HydrophobicContact CZ3-CG 3.45Å; W54-R117 VanDerWaalsContact CZ3-CG 3.45Å
55	S	98.3	Very high	95.2	Very high	14 Å²	14	51.9 Å²	51.9	10%	0.098	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.7	-170.1	-76.6	0	0	0	0	112.2	G69 E70 C115 A116	S55-G69 WeakPolarHBondContact CA-O 3.48Å; S55-E70 WeakPolarHBondContact OG-CB 3.42Å; S55-C115 CarbonylContact O-C 3.55Å; S55-C115 WeakPolarHBondContact O-CA 3.5Å; S55-A116 PolarHBondContact N-O 3.46Å; S55-A116 PolarHBondContact O-N 2.94Å
56	W	98.7	Very high	95.5	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133	162.8	-77.8	99.1	0	0	0	109.8	E25 L39 C41 I68 G69 F98 L100	E25-W56 HydrophobicContact CG-CZ3 4.24Å; L39-W56 HydrophobicContact CB-CH2 3.64Å; L39-W56 HydrophobicContact CB-CZ2 4.09Å; L39-W56 HydrophobicContact CB-CZ3 4.06Å; L39-W56 HydrophobicContact CD1-CE3 4.5Å; L39-W56 HydrophobicContact CD1-CZ3 4.07Å; C41-W56 HydrophobicContact CB-CH2 3.98Å; C41-W56 HydrophobicContact CB-CZ2 3.71Å; W56-I68 HydrophobicContact CB-CB 4.17Å; W56-I68 HydrophobicContact CB-CD1 4.34Å; W56-I68 WeakPolarHBondContact O-CB 3.43Å; W56-I68 PolarHBondContact O-N 2.79Å; W56-G69 PolarHBondContact N-O 3.26Å; W56-F98 AromaticContact CD1-CD2 3.79Å; W56-F98 AromaticContact CD1-CE2 3.6Å; W56-F98 HydrophobicContact CD2-CE2 4.35Å; W56-F98 AromaticContact CE2-CE2 3.79Å; W56-F98 HydrophobicContact CG-CE2 4.27Å; W56-F98 HydrophobicContact CZ2-CE2 4.39Å; W56-F98 AromaticContact NE1-CD2 3.24Å; W56-F98 AromaticContact NE1-CE2 3.27Å; W56-F98 VanDerWaalsContact NE1-CE2 3.27Å; W56-L100 HydrophobicContact CB-CD2 4.08Å; W56-L100 HydrophobicContact CD2-CB 3.76Å; W56-L100 HydrophobicContact CD2-CD2 4.06Å; W56-L100 HydrophobicContact CE3-CD2 4.31Å; W56-L100 HydrophobicContact CG-CB 3.83Å; W56-L100 HydrophobicContact CG-CD2 3.98Å; W56-L100 HydrophobicContact CG-CG 4.33Å; W56-L100 HydrophobicContact CZ2-CB 4.15Å
57	V	98.6	Very high	95.8	Very high	23 Å²	23	55.4 Å²	55.4	14%	0.139	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.5	178.7	-176.2	0	0	0	0	107.9	L65 E66 Y113 Y114	V57-L65 HydrophobicContact CG1-CB 3.86Å; V57-L65 HydrophobicContact CG1-CD2 3.8Å; V57-L65 HydrophobicContact CG1-CG 4.3Å; V57-E66 WeakPolarHBondContact CG1-O 3.45Å; V57-Y113 WeakPolarHBondContact O-CA 3.23Å; V57-Y114 PolarHBondContact N-O 3.02Å; V57-Y114 PolarHBondContact O-N 2.87Å
58	R	98.2	Very high	96.1	Very high	17 Å²	17	52.8 Å²	52.8	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.2	170.4	64.3	179.2	-171.8	-177.5	1.3	112.4	E66 I68 D109 A111 V112 Y113	R58-E66 HydrophobicContact CG-CB 4.12Å; R58-E66 IonicContact CZ-OE2 3.55Å; R58-E66 PolarHBondContact N-O 2.82Å; R58-E66 IonicContact NE-OE2 3.67Å; R58-E66 PolarHBondContact NE-OE2 2.89Å; R58-E66 IonicContact NH2-OE1 3.73Å; R58-E66 PolarHBondContact NH2-OE1 2.78Å; R58-E66 IonicContact NH2-OE2 3.26Å; R58-E66 PolarHBondContact NH2-OE2 2.79Å; R58-E66 PolarHBondContact O-N 2.8Å; R58-I68 HydrophobicContact CB-CD1 3.89Å; R58-I68 HydrophobicContact CB-CG1 4.42Å; R58-I68 HydrophobicContact CG-CD1 3.92Å; R58-I68 HydrophobicContact CG-CG1 3.99Å; R58-D109 IonicContact CZ-OD1 3.16Å; R58-D109 IonicContact NH1-OD1 2.77Å; R58-D109 PolarHBondContact NH1-OD1 2.88Å; R58-A111 HydrophobicContact CB-CB 3.81Å; R58-A111 HydrophobicContact CG-CB 4.33Å; R58-V112 CarbonylContact C-O 3.45Å; R58-V112 WeakPolarHBondContact CA-O 3.41Å; R58-Y113 HydrophobicContact CB-CD1 3.89Å; R58-Y113 HydrophobicContact CB-CE1 3.93Å; R58-Y113 HydrophobicContact CB-CG 4.25Å
59	Q	98.5	Very high	96.3	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.341	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	97.9	174	-167.7	175	20.6	0	0	109.9	L65 A111 V112 Y114	Q59-L65 HydrophobicContact CB-CD2 3.98Å; Q59-L65 HydrophobicContact CG-CD2 4.34Å; Q59-A111 WeakPolarHBondContact O-CA 3.17Å; Q59-A111 WeakPolarHBondContact O-CB 3.23Å; Q59-V112 PolarHBondContact N-O 3.36Å; Q59-V112 PolarHBondContact O-N 2.85Å; Q59-Y114 HydrophobicContact CB-CE2 3.91Å; Q59-Y114 PolarHBondContact OE1-OH 3.39Å
60	P	97.9	Very high	96.5	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.084	30%	0.303	C	S	.	.			trans	-63.9	149.8	172.4	-19.5	31.9	0	0	0	111.4	G62 K63 A111	P60-G62 PolarHBondContact O-N 2Å; P60-K63 HydrophobicContact CB-CB 4.08Å; P60-K63 HydrophobicContact CB-CD 4.02Å; P60-K63 HydrophobicContact CB-CG 4.23Å; P60-K63 HydrophobicContact CG-CB 4.38Å; P60-K63 HydrophobicContact CG-CD 4.35Å; P60-K63 PolarHBondContact O-N 2.87Å; P60-A111 HydrophobicContact CB-CB 4.48Å; P60-A111 HydrophobicContact CG-CB 4.32Å
61	P	97.7	Very high	97	Very high	82 Å²	82	50.8 Å²	50.8	53%	0.532	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128.2	177.8	-25.8	33	0	0	0	112.3	K63 R110	P61-K63 PolarHBondContact O-N 2.99Å; P61-R110 WeakPolarHBondContact CD-O 3.28Å; P61-R110 HydrophobicContact CG-CG 4.33Å
62	G	97.9	Very high	97.4	Very high	94 Å²	94	49.2 Å²	49.2	97%	0.969	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	11.5	-179.9	0	0	0	0	0	114.9	P60	P60-G62 PolarHBondContact O-N 2Å
63	K	97.2	Very high	97.6	Very high	150 Å²	150	49.2 Å²	49.2	65%	0.652	27%	0.271	S	S	*	.	S	Bend	trans	-121.2	166.5	177.2	-59	-168.7	-177.4	179.2	0	111.6	P60 P61	P60-K63 HydrophobicContact CB-CB 4.08Å; P60-K63 HydrophobicContact CB-CD 4.02Å; P60-K63 HydrophobicContact CB-CG 4.23Å; P60-K63 HydrophobicContact CG-CB 4.38Å; P60-K63 HydrophobicContact CG-CD 4.35Å; P60-K63 PolarHBondContact O-N 2.87Å; P61-K63 PolarHBondContact O-N 2.99Å
64	G	97.2	Very high	97.5	Very high	53 Å²	53	48.1 Å²	48.1	55%	0.546	28%	0.278	S	S	.	.			trans	-72.5	-179	171.9	0	0	0	0	0	113.1
65	L	98.1	Very high	97.2	Very high	121 Å²	121	50 Å²	50	63%	0.634	30%	0.297	S	S	*	.			trans	-68.5	137.1	172.8	-65.9	170.5	0	0	0	110.5	V57 Q59 Y114	V57-L65 HydrophobicContact CG1-CB 3.86Å; V57-L65 HydrophobicContact CG1-CD2 3.8Å; V57-L65 HydrophobicContact CG1-CG 4.3Å; Q59-L65 HydrophobicContact CB-CD2 3.98Å; Q59-L65 HydrophobicContact CG-CD2 4.34Å; L65-Y114 HydrophobicContact CD2-CD2 4.25Å; L65-Y114 HydrophobicContact CD2-CE2 4.24Å
66	E	98.2	Very high	96.9	Very high	55 Å²	55	52.5 Å²	52.5	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.7	174.3	-176.7	-175.8	-171.5	0	0	108.6	V57 R58	V57-E66 WeakPolarHBondContact CG1-O 3.45Å; R58-E66 HydrophobicContact CG-CB 4.12Å; R58-E66 IonicContact CZ-OE2 3.55Å; R58-E66 PolarHBondContact N-O 2.82Å; R58-E66 IonicContact NE-OE2 3.67Å; R58-E66 PolarHBondContact NE-OE2 2.89Å; R58-E66 IonicContact NH2-OE1 3.73Å; R58-E66 PolarHBondContact NH2-OE1 2.78Å; R58-E66 IonicContact NH2-OE2 3.26Å; R58-E66 PolarHBondContact NH2-OE2 2.79Å; R58-E66 PolarHBondContact O-N 2.8Å
67	W	98.5	Very high	96.8	Very high	90 Å²	90	54.5 Å²	54.5	34%	0.341	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.5	174.5	178.2	81.2	0	0	0	110.4	G69 E70 N78 N80	W67-G69 VanDerWaalsContact CZ2-CA 3.41Å; W67-E70 HydrophobicContact CZ2-CB 4.11Å; W67-E70 HydrophobicContact CZ2-CG 3.82Å; W67-N78 HydrophobicContact CH2-CB 4.16Å; W67-N78 HydrophobicContact CZ2-CB 4.47Å; W67-N80 HydrophobicContact CE3-CB 3.81Å; W67-N80 HydrophobicContact CZ3-CB 4Å; W67-N80 VanDerWaalsContact O-CB 3.29Å; W67-N80 WeakPolarHBondContact O-CB 3.33Å; W67-N80 PolarHBondContact O-ND2 2.89Å
68	I	98.6	Very high	96.7	Very high	3 Å²	3	57 Å²	57	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-44.6	-178.9	-63.2	175	0	0	0	110.7	W56 R58 N80 L83 V87 L100 Y113	W56-I68 HydrophobicContact CB-CB 4.17Å; W56-I68 HydrophobicContact CB-CD1 4.34Å; W56-I68 WeakPolarHBondContact O-CB 3.43Å; W56-I68 PolarHBondContact O-N 2.79Å; R58-I68 HydrophobicContact CB-CD1 3.89Å; R58-I68 HydrophobicContact CB-CG1 4.42Å; R58-I68 HydrophobicContact CG-CD1 3.92Å; R58-I68 HydrophobicContact CG-CG1 3.99Å; I68-N80 WeakPolarHBondContact O-CB 2.78Å; I68-N80 PolarHBondContact O-N 2.88Å; I68-L83 HydrophobicContact CB-CD1 4.4Å; I68-L83 HydrophobicContact CG1-CD1 4.09Å; I68-L83 HydrophobicContact CG2-CD1 4.26Å; I68-V87 HydrophobicContact CG2-CB 4.5Å; I68-V87 HydrophobicContact CG2-CG1 3.89Å; I68-V87 HydrophobicContact CG2-CG2 3.87Å; I68-L100 HydrophobicContact CD1-CD2 3.78Å; I68-L100 HydrophobicContact CG2-CD1 3.91Å; I68-L100 HydrophobicContact CG2-CD2 4.32Å; I68-Y113 HydrophobicContact CD1-CD1 3.64Å; I68-Y113 HydrophobicContact CD1-CE1 3.54Å
69	G	98.5	Very high	96.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.4	171	-172.7	0	0	0	0	0	111.1	S55 W56 W67 N78 I89	S55-G69 WeakPolarHBondContact CA-O 3.48Å; W56-G69 PolarHBondContact N-O 3.26Å; W67-G69 VanDerWaalsContact CZ2-CA 3.41Å; G69-N78 CarbonylContact C-O 3.47Å; G69-N78 WeakPolarHBondContact CA-O 2.83Å; G69-I89 VanDerWaalsContact C-CD1 3.42Å
70	E	98.1	Very high	96.7	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.9	179.3	68.3	-171.8	179	0	0	110.2	W53 W54 S55 W67 P77 N78	W53-E70 HydrophobicContact CD2-CG 4.28Å; W53-E70 HydrophobicContact CE3-CB 4.12Å; W53-E70 HydrophobicContact CE3-CG 3.45Å; W53-E70 VanDerWaalsContact CE3-CG 3.45Å; W53-E70 HydrophobicContact CZ3-CG 3.82Å; W54-E70 CarbonylContact O-C 3.46Å; W54-E70 VanDerWaalsContact O-CA 3.23Å; W54-E70 WeakPolarHBondContact O-CA 3.43Å; S55-E70 WeakPolarHBondContact OG-CB 3.42Å; W67-E70 HydrophobicContact CZ2-CB 4.11Å; W67-E70 HydrophobicContact CZ2-CG 3.82Å; E70-P77 CarbonylContact O-C 3.57Å; E70-P77 WeakPolarHBondContact O-CA 3.29Å; E70-N78 HydrophobicContact CG-CB 3.92Å; E70-N78 PolarHBondContact N-O 2.81Å; E70-N78 PolarHBondContact O-N 2.77Å; E70-N78 PolarHBondContact OE1-ND2 2.72Å
71	I	97.8	Very high	96.7	Very high	3 Å²	3	61 Å²	61	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.3	174.6	-169.1	160.1	0	0	0	110.5	W54 P77 I89 V91 F98	W54-I71 HydrophobicContact CB-CG2 4.27Å; W54-I71 PolarHBondContact N-O 3.4Å; W54-I71 PolarHBondContact O-N 3.26Å; I71-P77 HydrophobicContact CB-CB 4.44Å; I71-P77 HydrophobicContact CD1-CB 4.39Å; I71-P77 HydrophobicContact CG1-CB 4.37Å; I71-I89 HydrophobicContact CB-CB 4.48Å; I71-I89 HydrophobicContact CB-CG2 3.63Å; I71-I89 HydrophobicContact CD1-CG2 4.17Å; I71-I89 WeakPolarHBondContact CD1-O 3.11Å; I71-I89 HydrophobicContact CG2-CG2 3.46Å; I71-I89 VanDerWaalsContact CG2-CG2 3.46Å; I71-V91 HydrophobicContact CD1-CB 4.34Å; I71-V91 HydrophobicContact CD1-CG1 4.48Å; I71-F98 HydrophobicContact CG2-CB 4.29Å; I71-F98 HydrophobicContact CG2-CD2 4.35Å
72	Y	95.3	Very high	96.7	Very high	56 Å²	56	61.8 Å²	61.8	22%	0.22	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	158.7	169.6	-160.7	-119.9	0	0	0	110.8	S51 N52 W53 S74 G75 S76	S51-Y72 VanDerWaalsContact C-CE2 3.46Å; S51-Y72 WeakPolarHBondContact CA-OH 3.47Å; S51-Y72 WeakPolarHBondContact CB-OH 3.49Å; N52-Y72 VanDerWaalsContact O-CD2 3.23Å; N52-Y72 WeakPolarHBondContact O-CD2 3.41Å; W53-Y72 AromaticContact CD2-CD2 3.95Å; W53-Y72 HydrophobicContact CD2-CD2 3.95Å; W53-Y72 HydrophobicContact CD2-CG 4.47Å; W53-Y72 AromaticContact CE2-CD2 3.89Å; W53-Y72 HydrophobicContact CE3-CD2 4.47Å; W53-Y72 HydrophobicContact CG-CD2 4.15Å; W53-Y72 HydrophobicContact CZ2-CD2 4.4Å; W53-Y72 HydrophobicContact CZ2-CG 4.42Å; W53-Y72 AromaticContact NE1-CD2 3.99Å; Y72-S74 PolarHBondContact O-N 3.22Å; Y72-G75 PolarHBondContact O-N 2.8Å; Y72-S76 PolarHBondContact N-O 3.17Å
73	H	93.4	Very high	96.7	Very high	47 Å²	47	57.6 Å²	57.6	22%	0.218	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19	179.7	74.8	-96.3	0	0	0	114	I48 S50 G75 K93	I48-H73 VanDerWaalsContact O-CB 3.28Å; I48-H73 WeakPolarHBondContact O-CB 3.37Å; S50-H73 PolarHBondContact O-ND1 2.95Å; H73-G75 PolarHBondContact O-N 3.04Å; H73-K93 WeakPolarHBondContact O-CE 3.16Å; H73-K93 PolarHBondContact O-NZ 2.88Å
74	S	92.9	Very high	96.7	Very high	73 Å²	73	56.9 Å²	56.9	51%	0.51	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.6	173	63.5	0	0	0	0	113.1	Y72 S76	Y72-S74 PolarHBondContact O-N 3.22Å; S74-S76 PolarHBondContact OG-OG 2.87Å
75	G	91.3	Very high	96.7	Very high	39 Å²	39	59.6 Å²	59.6	40%	0.402	34%	0.338	S	S	.	.	S	Bend	trans	88.9	16.2	-178.4	0	0	0	0	0	114.2	Y72 H73 P77	Y72-G75 PolarHBondContact O-N 2.8Å; H73-G75 PolarHBondContact O-N 3.04Å; G75-P77 VanDerWaalsContact O-CD 3.24Å; G75-P77 WeakPolarHBondContact O-CD 3.36Å
76	S	92	Very high	96.7	Very high	68 Å²	68	56.3 Å²	56.3	48%	0.476	32%	0.317	S	S	.	.			trans	-94.1	108.1	175.8	-55.6	0	0	0	0	110.3	W53 Y72 S74	W53-S76 WeakPolarHBondContact CZ3-O 3.5Å; Y72-S76 PolarHBondContact N-O 3.17Å; S74-S76 PolarHBondContact OG-OG 2.87Å
77	P	96.6	Very high	96.7	Very high	43 Å²	43	54 Å²	54	28%	0.279	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.6	179.8	35.1	-34.1	0	0	0	112.7	E70 I71 G75 Y79	E70-P77 CarbonylContact O-C 3.57Å; E70-P77 WeakPolarHBondContact O-CA 3.29Å; I71-P77 HydrophobicContact CB-CB 4.44Å; I71-P77 HydrophobicContact CD1-CB 4.39Å; I71-P77 HydrophobicContact CG1-CB 4.37Å; G75-P77 VanDerWaalsContact O-CD 3.24Å; G75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-Y79 HydrophobicContact CB-CE1 4.02Å; P77-Y79 HydrophobicContact CB-CE2 3.9Å; P77-Y79 WeakPolarHBondContact CB-OH 3.39Å; P77-Y79 HydrophobicContact CG-CE1 4.49Å; P77-Y79 HydrophobicContact CG-CE2 3.65Å; P77-Y79 WeakPolarHBondContact CG-OH 3.35Å
78	N	97.9	Very high	96.7	Very high	76 Å²	76	53.5 Å²	53.5	41%	0.406	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.1	162.1	-62.3	-44.5	0	0	0	109.1	W53 W67 G69 E70	W53-N78 WeakPolarHBondContact CH2-ND2 3.46Å; W67-N78 HydrophobicContact CH2-CB 4.16Å; W67-N78 HydrophobicContact CZ2-CB 4.47Å; G69-N78 CarbonylContact C-O 3.47Å; G69-N78 WeakPolarHBondContact CA-O 2.83Å; E70-N78 HydrophobicContact CG-CB 3.92Å; E70-N78 PolarHBondContact N-O 2.81Å; E70-N78 PolarHBondContact O-N 2.77Å; E70-N78 PolarHBondContact OE1-ND2 2.72Å
79	Y	98.6	Very high	96.7	Very high	48 Å²	48	53.7 Å²	53.7	19%	0.188	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.3	-175.1	-59.4	-69.2	0	0	0	111.3	P77 P81 K84 V87 I89	P77-Y79 HydrophobicContact CB-CE1 4.02Å; P77-Y79 HydrophobicContact CB-CE2 3.9Å; P77-Y79 WeakPolarHBondContact CB-OH 3.39Å; P77-Y79 HydrophobicContact CG-CE1 4.49Å; P77-Y79 HydrophobicContact CG-CE2 3.65Å; P77-Y79 WeakPolarHBondContact CG-OH 3.35Å; Y79-P81 WeakPolarHBondContact O-CD 3.25Å; Y79-K84 HydrophobicContact CD2-CG 4Å; Y79-K84 HydrophobicContact CG-CG 4.29Å; Y79-V87 HydrophobicContact CD1-CB 4.33Å; Y79-V87 HydrophobicContact CD1-CG1 3.65Å; Y79-V87 HydrophobicContact CE1-CG1 3.67Å; Y79-I89 HydrophobicContact CD1-CD1 4.12Å; Y79-I89 HydrophobicContact CE1-CB 4.16Å; Y79-I89 HydrophobicContact CE1-CD1 3.88Å; Y79-I89 HydrophobicContact CE1-CG1 3.88Å; Y79-I89 PolarHBondContact OH-N 3.16Å
80	N	98.1	Very high	96.7	Very high	27 Å²	27	56.3 Å²	56.3	14%	0.144	33%	0.333	C	S	.	.			trans	-60.8	122.1	162.6	-177.4	-31.6	0	0	0	108.7	W67 I68 S82 L83 K84	W67-N80 HydrophobicContact CE3-CB 3.81Å; W67-N80 HydrophobicContact CZ3-CB 4Å; W67-N80 VanDerWaalsContact O-CB 3.29Å; W67-N80 WeakPolarHBondContact O-CB 3.33Å; W67-N80 PolarHBondContact O-ND2 2.89Å; I68-N80 WeakPolarHBondContact O-CB 2.78Å; I68-N80 PolarHBondContact O-N 2.88Å; N80-S82 PolarHBondContact O-N 2.86Å; N80-S82 VanDerWaalsContact O-N 3.09Å; N80-S82 WeakPolarHBondContact OD1-CB 3.47Å; N80-S82 PolarHBondContact OD1-N 3.21Å; N80-L83 PolarHBondContact O-N 2.88Å; N80-K84 PolarHBondContact O-N 2.84Å
81	P	98	Very high	96.6	Very high	112 Å²	112	56.1 Å²	56.1	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-35	-178.1	-28.8	35.8	0	0	0	114	Y79 L83	Y79-P81 WeakPolarHBondContact O-CD 3.25Å; P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 PolarHBondContact O-N 3.33Å
82	S	96.6	Very high	96.6	Very high	97 Å²	97	58.2 Å²	58.2	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.2	-179.6	-58.8	0	0	0	0	114.1	N80	N80-S82 PolarHBondContact O-N 2.86Å; N80-S82 VanDerWaalsContact O-N 3.09Å; N80-S82 WeakPolarHBondContact OD1-CB 3.47Å; N80-S82 PolarHBondContact OD1-N 3.21Å
83	L	97.4	Very high	96.6	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-12.1	-177.5	-62	175.1	0	0	0	113.4	I68 N80 P81 S85 R86 V87	I68-L83 HydrophobicContact CB-CD1 4.4Å; I68-L83 HydrophobicContact CG1-CD1 4.09Å; I68-L83 HydrophobicContact CG2-CD1 4.26Å; N80-L83 PolarHBondContact O-N 2.88Å; P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 PolarHBondContact O-N 3.33Å; L83-S85 PolarHBondContact O-N 3.08Å; L83-R86 PolarHBondContact O-N 2.8Å; L83-V87 HydrophobicContact CB-CG2 3.85Å; L83-V87 WeakPolarHBondContact O-CG2 3.18Å; L83-V87 PolarHBondContact O-N 3.05Å; L83-V87 VanDerWaalsContact O-N 3.16Å
84	K	97.7	Very high	96.7	Very high	135 Å²	135	63.4 Å²	63.4	59%	0.587	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.1	-173.4	-175.5	173.8	-178.3	177.7	0	114.5	Y79 N80 R86	Y79-K84 HydrophobicContact CD2-CG 4Å; Y79-K84 HydrophobicContact CG-CG 4.29Å; N80-K84 PolarHBondContact O-N 2.84Å; K84-R86 VanDerWaalsContact C-N 3.29Å; K84-R86 PolarHBondContact O-N 2.91Å
85	S	97.8	Very high	96.9	Very high	110 Å²	110	66 Å²	66	77%	0.769	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.2	-178.9	58.3	0	0	0	0	114.5	L83	L83-S85 PolarHBondContact O-N 3.08Å
86	R	97.8	Very high	97.2	Very high	52 Å²	52	65.9 Å²	65.9	20%	0.196	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-9.4	-175.8	-59.5	-171.7	-61.8	133.2	1.6	113.6	L83 K84 L102 S103 S104 D109	L83-R86 PolarHBondContact O-N 2.8Å; K84-R86 VanDerWaalsContact C-N 3.29Å; K84-R86 PolarHBondContact O-N 2.91Å; R86-L102 HydrophobicContact CB-CD1 3.84Å; R86-L102 WeakPolarHBondContact O-CA 3.48Å; R86-S103 WeakPolarHBondContact CA-OG 3.21Å; R86-S103 PolarHBondContact NH1-O 3Å; R86-S103 PolarHBondContact O-N 3.36Å; R86-S103 PolarHBondContact O-OG 3.4Å; R86-S104 PolarHBondContact NH1-O 2.8Å; R86-D109 IonicContact CZ-OD1 3.64Å; R86-D109 IonicContact CZ-OD2 2.8Å; R86-D109 IonicContact NH1-OD1 2.78Å; R86-D109 IonicContact NH1-OD2 3.92Å; R86-D109 PolarHBondContact NH1-OD2 2.86Å; R86-D109 IonicContact NH2-OD1 2.72Å; R86-D109 PolarHBondContact NH2-OD1 2.89Å; R86-D109 IonicContact NH2-OD2 2.87Å; R86-D109 PolarHBondContact NH2-OD2 2.61Å
87	V	98.5	Very high	97.5	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.042	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.9	-173.1	168.5	0	0	0	0	111.3	I68 Y79 L83 I89 L100 K101 L102	I68-V87 HydrophobicContact CG2-CB 4.5Å; I68-V87 HydrophobicContact CG2-CG1 3.89Å; I68-V87 HydrophobicContact CG2-CG2 3.87Å; Y79-V87 HydrophobicContact CD1-CB 4.33Å; Y79-V87 HydrophobicContact CD1-CG1 3.65Å; Y79-V87 HydrophobicContact CE1-CG1 3.67Å; L83-V87 HydrophobicContact CB-CG2 3.85Å; L83-V87 WeakPolarHBondContact O-CG2 3.18Å; L83-V87 PolarHBondContact O-N 3.05Å; L83-V87 VanDerWaalsContact O-N 3.16Å; V87-I89 HydrophobicContact CG1-CD1 4.38Å; V87-I89 HydrophobicContact CG1-CG1 4.07Å; V87-L100 HydrophobicContact CG1-CD1 3.46Å; V87-L100 VanDerWaalsContact CG1-CD1 3.46Å; V87-L100 HydrophobicContact CG2-CD1 4.45Å; V87-K101 CarbonylContact C-O 3.52Å; V87-K101 WeakPolarHBondContact CA-O 3.26Å; V87-L102 HydrophobicContact CG2-CD1 3.69Å
88	T	98.4	Very high	97.5	Very high	78 Å²	78	62.3 Å²	62.3	48%	0.479	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.7	166.4	-59.6	0	0	0	0	108.8	K101	T88-K101 PolarHBondContact N-O 3.12Å; T88-K101 PolarHBondContact O-N 3.31Å
89	I	98.5	Very high	97.6	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.2	173.2	-60.7	166.3	0	0	0	108.1	G69 I71 Y79 V87 S99 L100	G69-I89 VanDerWaalsContact C-CD1 3.42Å; I71-I89 HydrophobicContact CB-CB 4.48Å; I71-I89 HydrophobicContact CB-CG2 3.63Å; I71-I89 HydrophobicContact CD1-CG2 4.17Å; I71-I89 WeakPolarHBondContact CD1-O 3.11Å; I71-I89 HydrophobicContact CG2-CG2 3.46Å; I71-I89 VanDerWaalsContact CG2-CG2 3.46Å; Y79-I89 HydrophobicContact CD1-CD1 4.12Å; Y79-I89 HydrophobicContact CE1-CB 4.16Å; Y79-I89 HydrophobicContact CE1-CD1 3.88Å; Y79-I89 HydrophobicContact CE1-CG1 3.88Å; Y79-I89 PolarHBondContact OH-N 3.16Å; V87-I89 HydrophobicContact CG1-CD1 4.38Å; V87-I89 HydrophobicContact CG1-CG1 4.07Å; I89-S99 VanDerWaalsContact CA-O 3.28Å; I89-S99 WeakPolarHBondContact CA-O 3.43Å; I89-L100 HydrophobicContact CD1-CD1 4.41Å; I89-L100 HydrophobicContact CG1-CD1 3.74Å
90	S	97.6	Very high	97.6	Very high	56 Å²	56	57.3 Å²	57.3	39%	0.392	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.2	179.4	62.4	0	0	0	0	111.9	F98 S99	S90-F98 CarbonylContact O-C 3.52Å; S90-F98 WeakPolarHBondContact O-CA 3.49Å; S90-F98 VanDerWaalsContact O-CB 3.26Å; S90-F98 WeakPolarHBondContact O-CB 3.23Å; S90-S99 PolarHBondContact N-O 3.06Å; S90-S99 PolarHBondContact O-N 3.31Å
91	V	97.4	Very high	97.6	Very high	37 Å²	37	61.4 Å²	61.4	22%	0.224	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.6	178.9	69.8	0	0	0	0	110.1	I48 I71 K93	I48-V91 HydrophobicContact CD1-CG2 3.57Å; I48-V91 HydrophobicContact CG1-CG2 3.79Å; I48-V91 HydrophobicContact CG2-CG2 4.29Å; I71-V91 HydrophobicContact CD1-CB 4.34Å; I71-V91 HydrophobicContact CD1-CG1 4.48Å; V91-K93 HydrophobicContact CG2-CG 4.47Å
92	D	96.6	Very high	97.6	Very high	48 Å²	48	56.2 Å²	56.2	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	96.1	171.4	-176.6	-14.6	0	0	0	108.7	S94 K95 N96 Q97	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 2.95Å; D92-S94 WeakPolarHBondContact OD1-CB 3.19Å; D92-S94 PolarHBondContact OD1-N 3.02Å; D92-S94 PolarHBondContact OD1-OG 2.94Å; D92-K95 PolarHBondContact O-N 2.86Å; D92-K95 PolarHBondContact OD1-N 2.72Å; D92-K95 VanDerWaalsContact OD2-CD 3.25Å; D92-K95 WeakPolarHBondContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CE 3.46Å; D92-K95 IonicContact OD2-NZ 3.38Å; D92-N96 PolarHBondContact O-N 2.92Å; D92-N96 VanDerWaalsContact O-N 3.12Å; D92-Q97 CarbonylContact C-O 3.59Å; D92-Q97 HydrophobicContact CB-CG 3.89Å; D92-Q97 PolarHBondContact N-O 2.8Å; D92-Q97 PolarHBondContact O-N 3.11Å; D92-Q97 VanDerWaalsContact O-N 3.08Å
93	K	95.8	Very high	97.7	Very high	103 Å²	103	53.5 Å²	53.5	45%	0.448	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.2	-31.4	-178.7	-63.3	178.2	-176.9	175.6	0	112.5	I48 H73 V91 K95 N96	I48-K93 HydrophobicContact CG2-CB 4.43Å; I48-K93 HydrophobicContact CG2-CG 4.25Å; H73-K93 WeakPolarHBondContact O-CE 3.16Å; H73-K93 PolarHBondContact O-NZ 2.88Å; V91-K93 HydrophobicContact CG2-CG 4.47Å; K93-K95 PolarHBondContact O-N 2.86Å; K93-N96 PolarHBondContact O-N 2.84Å
94	S	95.8	Very high	97.7	Very high	108 Å²	108	56.2 Å²	56.2	76%	0.755	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-67.5	-27.5	-177.8	74.2	0	0	0	0	112.2	D92	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 2.95Å; D92-S94 WeakPolarHBondContact OD1-CB 3.19Å; D92-S94 PolarHBondContact OD1-N 3.02Å; D92-S94 PolarHBondContact OD1-OG 2.94Å
95	K	97.2	Very high	97.7	Very high	127 Å²	127	50.7 Å²	50.7	55%	0.552	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-107	3.3	178.4	-62.2	-178.6	-168.3	165.6	0	113.8	D92 K93 Q97	D92-K95 PolarHBondContact O-N 2.86Å; D92-K95 PolarHBondContact OD1-N 2.72Å; D92-K95 VanDerWaalsContact OD2-CD 3.25Å; D92-K95 WeakPolarHBondContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CE 3.46Å; D92-K95 IonicContact OD2-NZ 3.38Å; K93-K95 PolarHBondContact O-N 2.86Å; K95-Q97 VanDerWaalsContact C-N 3.27Å; K95-Q97 HydrophobicContact CB-CG 3.77Å; K95-Q97 PolarHBondContact O-N 2.87Å
96	N	96.8	Very high	97.7	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.203	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	43.3	-176.6	-152	38.1	0	0	0	113.1	V43 G46 I48 D92 K93	V43-N96 WeakPolarHBondContact CB-O 3.43Å; V43-N96 PolarHBondContact N-O 3.35Å; V43-N96 PolarHBondContact O-ND2 2.95Å; G46-N96 PolarHBondContact O-ND2 3.01Å; I48-N96 WeakPolarHBondContact CB-OD1 3.42Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.07Å; I48-N96 PolarHBondContact N-OD1 3.09Å; D92-N96 PolarHBondContact O-N 2.92Å; D92-N96 VanDerWaalsContact O-N 3.12Å; K93-N96 PolarHBondContact O-N 2.84Å
97	Q	97.8	Very high	97.6	Very high	36 Å²	36	50.8 Å²	50.8	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.6	-174.1	71.8	-176.3	50.4	0	0	112.3	T40 C41 I48 D92 K95	T40-Q97 HydrophobicContact CG2-CB 4.11Å; T40-Q97 HydrophobicContact CG2-CG 4.22Å; C41-Q97 CarbonylContact O-C 3.59Å; C41-Q97 WeakPolarHBondContact O-CA 3.36Å; C41-Q97 WeakPolarHBondContact O-CB 3.37Å; I48-Q97 WeakPolarHBondContact CD1-O 3.29Å; D92-Q97 CarbonylContact C-O 3.59Å; D92-Q97 HydrophobicContact CB-CG 3.89Å; D92-Q97 PolarHBondContact N-O 2.8Å; D92-Q97 PolarHBondContact O-N 3.11Å; D92-Q97 VanDerWaalsContact O-N 3.08Å; K95-Q97 VanDerWaalsContact C-N 3.27Å; K95-Q97 HydrophobicContact CB-CG 3.77Å; K95-Q97 PolarHBondContact O-N 2.87Å
98	F	97.8	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.4	166.8	62.5	-68.8	0	0	0	109.7	C41 V43 I48 W54 W56 I71 S90 C115	C41-F98 HydrophobicContact CB-CD1 3.72Å; C41-F98 HydrophobicContact CB-CD2 4.44Å; C41-F98 HydrophobicContact CB-CE1 3.37Å; C41-F98 HydrophobicContact CB-CE2 4.14Å; C41-F98 HydrophobicContact CB-CG 4.24Å; C41-F98 HydrophobicContact CB-CZ 3.6Å; C41-F98 PolarHBondContact N-O 2.61Å; C41-F98 PolarHBondContact O-N 3.07Å; C41-F98 VanDerWaalsContact SG-CE1 3.53Å; V43-F98 HydrophobicContact CG2-CD1 4.32Å; V43-F98 HydrophobicContact CG2-CE1 4.25Å; I48-F98 HydrophobicContact CD1-CB 3.88Å; I48-F98 HydrophobicContact CD1-CD1 3.84Å; I48-F98 HydrophobicContact CD1-CG 4.31Å; W54-F98 HydrophobicContact CB-CD1 3.9Å; W54-F98 HydrophobicContact CB-CD2 3.93Å; W54-F98 HydrophobicContact CB-CE1 3.78Å; W54-F98 HydrophobicContact CB-CE2 3.82Å; W54-F98 HydrophobicContact CB-CG 3.99Å; W54-F98 HydrophobicContact CB-CZ 3.75Å; W54-F98 HydrophobicContact CD2-CE1 4.37Å; W54-F98 HydrophobicContact CE3-CE1 4.15Å; W54-F98 HydrophobicContact CG-CD1 4.27Å; W54-F98 HydrophobicContact CG-CE1 4.26Å; W56-F98 AromaticContact CD1-CD2 3.79Å; W56-F98 AromaticContact CD1-CE2 3.6Å; W56-F98 HydrophobicContact CD2-CE2 4.35Å; W56-F98 AromaticContact CE2-CE2 3.79Å; W56-F98 HydrophobicContact CG-CE2 4.27Å; W56-F98 HydrophobicContact CZ2-CE2 4.39Å; W56-F98 AromaticContact NE1-CD2 3.24Å; W56-F98 AromaticContact NE1-CE2 3.27Å; W56-F98 VanDerWaalsContact NE1-CE2 3.27Å; I71-F98 HydrophobicContact CG2-CB 4.29Å; I71-F98 HydrophobicContact CG2-CD2 4.35Å; S90-F98 CarbonylContact O-C 3.52Å; S90-F98 WeakPolarHBondContact O-CA 3.49Å; S90-F98 VanDerWaalsContact O-CB 3.26Å; S90-F98 WeakPolarHBondContact O-CB 3.23Å; F98-C115 HydrophobicContact CZ-CB 3.85Å
99	S	98.4	Very high	97.4	Very high	18 Å²	18	50.6 Å²	50.6	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.6	-172	-63.3	0	0	0	0	111.5	L39 T40 I89 S90	L39-S99 CarbonylContact O-C 3.51Å; L39-S99 WeakPolarHBondContact O-CA 3.36Å; L39-S99 VanDerWaalsContact O-CB 3.23Å; L39-S99 WeakPolarHBondContact O-CB 3.46Å; T40-S99 PolarHBondContact OG1-OG 3.41Å; I89-S99 VanDerWaalsContact CA-O 3.28Å; I89-S99 WeakPolarHBondContact CA-O 3.43Å; S90-S99 PolarHBondContact N-O 3.06Å; S90-S99 PolarHBondContact O-N 3.31Å
100	L	98.7	Very high	97.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.6	174.3	173.3	69.3	0	0	0	108.5	S38 L39 W56 I68 V87 I89 Y113	S38-L100 WeakPolarHBondContact CA-O 3.21Å; L39-L100 HydrophobicContact CB-CB 4.37Å; L39-L100 HydrophobicContact CD1-CD2 4.26Å; L39-L100 PolarHBondContact N-O 3.01Å; L39-L100 PolarHBondContact O-N 2.95Å; W56-L100 HydrophobicContact CB-CD2 4.08Å; W56-L100 HydrophobicContact CD2-CB 3.76Å; W56-L100 HydrophobicContact CD2-CD2 4.06Å; W56-L100 HydrophobicContact CE3-CD2 4.31Å; W56-L100 HydrophobicContact CG-CB 3.83Å; W56-L100 HydrophobicContact CG-CD2 3.98Å; W56-L100 HydrophobicContact CG-CG 4.33Å; W56-L100 HydrophobicContact CZ2-CB 4.15Å; I68-L100 HydrophobicContact CD1-CD2 3.78Å; I68-L100 HydrophobicContact CG2-CD1 3.91Å; I68-L100 HydrophobicContact CG2-CD2 4.32Å; V87-L100 HydrophobicContact CG1-CD1 3.46Å; V87-L100 VanDerWaalsContact CG1-CD1 3.46Å; V87-L100 HydrophobicContact CG2-CD1 4.45Å; I89-L100 HydrophobicContact CD1-CD1 4.41Å; I89-L100 HydrophobicContact CG1-CD1 3.74Å; L100-Y113 HydrophobicContact CD2-CD1 4.01Å; L100-Y113 HydrophobicContact CD2-CE1 4.15Å
101	K	98.6	Very high	97.4	Very high	113 Å²	113	57.9 Å²	57.9	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.6	164.7	-67.7	-174.8	177	-177.7	0	109	T36 L37 V87 T88	T36-K101 HydrophobicContact CG2-CB 4.21Å; L37-K101 CarbonylContact O-C 3.57Å; L37-K101 WeakPolarHBondContact O-CA 3.2Å; V87-K101 CarbonylContact C-O 3.52Å; V87-K101 WeakPolarHBondContact CA-O 3.26Å; T88-K101 PolarHBondContact N-O 3.12Å; T88-K101 PolarHBondContact O-N 3.31Å
102	L	98.5	Very high	97.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.7	173.7	173.4	64.7	0	0	0	108.2	T36 L37 R86 V87 V105 D109 Y113	T36-L102 CarbonylContact C-O 3.53Å; T36-L102 WeakPolarHBondContact CA-O 3.39Å; L37-L102 HydrophobicContact CB-CB 4.29Å; L37-L102 HydrophobicContact CD2-CD2 4.5Å; L37-L102 PolarHBondContact N-O 2.81Å; L37-L102 PolarHBondContact O-N 3.35Å; R86-L102 HydrophobicContact CB-CD1 3.84Å; R86-L102 WeakPolarHBondContact O-CA 3.48Å; V87-L102 HydrophobicContact CG2-CD1 3.69Å; L102-V105 HydrophobicContact CG-CG2 4.36Å; L102-V105 WeakPolarHBondContact O-CG2 3.48Å; L102-D109 HydrophobicContact CD2-CB 3.93Å; L102-Y113 WeakPolarHBondContact CD2-OH 2.84Å
103	S	98.2	Very high	97.5	Very high	40 Å²	40	59 Å²	59	28%	0.28	33%	0.333	S	S	.	.			trans	-82.9	160.7	179.9	63.5	0	0	0	0	112	R86 V105	R86-S103 WeakPolarHBondContact CA-OG 3.21Å; R86-S103 PolarHBondContact NH1-O 3Å; R86-S103 PolarHBondContact O-N 3.36Å; R86-S103 PolarHBondContact O-OG 3.4Å; S103-V105 PolarHBondContact O-N 2.97Å
104	S	97.6	Very high	97.6	Very high	65 Å²	65	58.1 Å²	58.1	46%	0.455	33%	0.328	S	S	.	.	S	Bend	trans	51.6	53.4	175.6	-54.9	0	0	0	0	111.9	E35 R86	E35-S104 PolarHBondContact O-N 3.01Å; R86-S104 PolarHBondContact NH1-O 2.8Å
105	V	98	Very high	97.7	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.115	30%	0.296	C	S	.	.			trans	-59.4	136.6	-177.3	171.3	0	0	0	0	110.7	V31 P33 S34 E35 L37 L102 S103 D109	V31-V105 HydrophobicContact CG1-CG2 4.38Å; P33-V105 WeakPolarHBondContact CA-O 3.39Å; S34-V105 PolarHBondContact N-O 2.78Å; E35-V105 WeakPolarHBondContact O-CG2 3.47Å; E35-V105 PolarHBondContact O-N 3.28Å; L37-V105 HydrophobicContact CB-CG2 3.74Å; L102-V105 HydrophobicContact CG-CG2 4.36Å; L102-V105 WeakPolarHBondContact O-CG2 3.48Å; S103-V105 PolarHBondContact O-N 2.97Å; V105-D109 HydrophobicContact CG1-CB 4.25Å
106	T	97.1	Very high	97.7	Very high	67 Å²	67	49.3 Å²	49.3	41%	0.411	28%	0.284	S	S	.	.			trans	-122.8	170.5	178.1	69	0	0	0	0	111	A108 D109	T106-A108 PolarHBondContact O-N 3.23Å; T106-A108 PolarHBondContact OG1-N 3.39Å; T106-D109 PolarHBondContact N-OD2 2.8Å; T106-D109 WeakPolarHBondContact O-CB 3.44Å; T106-D109 PolarHBondContact O-N 3.25Å; T106-D109 PolarHBondContact OG1-OD2 3.02Å
107	A	96.2	Very high	97.4	Very high	96 Å²	96	55.1 Å²	55.1	79%	0.793	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.8	173.4	0	0	0	0	0	113.3	D109 R110	A107-D109 PolarHBondContact O-N 3.14Å; A107-R110 WeakPolarHBondContact O-CB 3.4Å; A107-R110 PolarHBondContact O-N 2.84Å
108	A	95.7	Very high	97.4	Very high	75 Å²	75	56.1 Å²	56.1	62%	0.62	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-69.8	-16.8	176.4	0	0	0	0	0	113.2	T106 R110	T106-A108 PolarHBondContact O-N 3.23Å; T106-A108 PolarHBondContact OG1-N 3.39Å; A108-R110 VanDerWaalsContact C-N 3.33Å
109	D	97.5	Very high	97.4	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.032	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-89.6	0.8	178.1	-56.1	-58.1	0	0	0	112.5	R58 R86 L102 V105 T106 A107 A111 Y113	R58-D109 IonicContact CZ-OD1 3.16Å; R58-D109 IonicContact NH1-OD1 2.77Å; R58-D109 PolarHBondContact NH1-OD1 2.88Å; R86-D109 IonicContact CZ-OD1 3.64Å; R86-D109 IonicContact CZ-OD2 2.8Å; R86-D109 IonicContact NH1-OD1 2.78Å; R86-D109 IonicContact NH1-OD2 3.92Å; R86-D109 PolarHBondContact NH1-OD2 2.86Å; R86-D109 IonicContact NH2-OD1 2.72Å; R86-D109 PolarHBondContact NH2-OD1 2.89Å; R86-D109 IonicContact NH2-OD2 2.87Å; R86-D109 PolarHBondContact NH2-OD2 2.61Å; L102-D109 HydrophobicContact CD2-CB 3.93Å; V105-D109 HydrophobicContact CG1-CB 4.25Å; T106-D109 PolarHBondContact N-OD2 2.8Å; T106-D109 WeakPolarHBondContact O-CB 3.44Å; T106-D109 PolarHBondContact O-N 3.25Å; T106-D109 PolarHBondContact OG1-OD2 3.02Å; A107-D109 PolarHBondContact O-N 3.14Å; D109-A111 PolarHBondContact O-N 2.96Å; D109-Y113 PolarHBondContact O-OH 2.94Å
110	R	97.1	Very high	97.3	Very high	190 Å²	190	61.3 Å²	61.3	72%	0.717	34%	0.337	S	S	*	.			trans	-62.9	110.6	171.6	-178.4	-177.5	177.2	-166.2	-0.4	109.4	P61 A107 A108	P61-R110 WeakPolarHBondContact CD-O 3.28Å; P61-R110 HydrophobicContact CG-CG 4.33Å; A107-R110 WeakPolarHBondContact O-CB 3.4Å; A107-R110 PolarHBondContact O-N 2.84Å; A108-R110 VanDerWaalsContact C-N 3.33Å
111	A	98	Very high	97.3	Very high	26 Å²	26	64.9 Å²	64.9	22%	0.215	36%	0.357	C	S	.	.	S	Bend	trans	-160.1	165.4	-178.5	0	0	0	0	0	111.2	R58 Q59 P60 D109 Y113	R58-A111 HydrophobicContact CB-CB 3.81Å; R58-A111 HydrophobicContact CG-CB 4.33Å; Q59-A111 WeakPolarHBondContact O-CA 3.17Å; Q59-A111 WeakPolarHBondContact O-CB 3.23Å; P60-A111 HydrophobicContact CB-CB 4.48Å; P60-A111 HydrophobicContact CG-CB 4.32Å; D109-A111 PolarHBondContact O-N 2.96Å; A111-Y113 HydrophobicContact CB-CD2 4.35Å; A111-Y113 HydrophobicContact CB-CE2 3.93Å; A111-Y113 WeakPolarHBondContact O-CD2 3.24Å
112	V	98.2	Very high	97.2	Very high	79 Å²	79	61.9 Å²	61.9	48%	0.479	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.6	158.9	-171.8	0	0	0	0	107.8	R58 Q59 Y114	R58-V112 CarbonylContact C-O 3.45Å; R58-V112 WeakPolarHBondContact CA-O 3.41Å; Q59-V112 PolarHBondContact N-O 3.36Å; Q59-V112 PolarHBondContact O-N 2.85Å; V112-Y114 HydrophobicContact CB-CE2 4Å; V112-Y114 HydrophobicContact CG1-CD1 4.38Å; V112-Y114 HydrophobicContact CG1-CE1 3.64Å; V112-Y114 HydrophobicContact CG1-CE2 3.86Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.22Å
113	Y	98.6	Very high	97.1	Very high	30 Å²	30	65.9 Å²	65.9	12%	0.118	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.2	-179	-71.6	-104.3	0	0	0	109.6	L37 L39 V57 R58 I68 L100 L102 D109 A111	L37-Y113 HydrophobicContact CD2-CD2 4.35Å; L37-Y113 HydrophobicContact CD2-CE1 4.1Å; L37-Y113 HydrophobicContact CD2-CE2 3.78Å; L39-Y113 VanDerWaalsContact CD1-CB 3.43Å; L39-Y113 HydrophobicContact CD1-CD1 3.59Å; L39-Y113 HydrophobicContact CD1-CD2 4.13Å; L39-Y113 HydrophobicContact CD1-CE1 4.34Å; L39-Y113 HydrophobicContact CD1-CG 3.46Å; L39-Y113 VanDerWaalsContact CD1-CG 3.46Å; V57-Y113 WeakPolarHBondContact O-CA 3.23Å; R58-Y113 HydrophobicContact CB-CD1 3.89Å; R58-Y113 HydrophobicContact CB-CE1 3.93Å; R58-Y113 HydrophobicContact CB-CG 4.25Å; I68-Y113 HydrophobicContact CD1-CD1 3.64Å; I68-Y113 HydrophobicContact CD1-CE1 3.54Å; L100-Y113 HydrophobicContact CD2-CD1 4.01Å; L100-Y113 HydrophobicContact CD2-CE1 4.15Å; L102-Y113 WeakPolarHBondContact CD2-OH 2.84Å; D109-Y113 PolarHBondContact O-OH 2.94Å; A111-Y113 HydrophobicContact CB-CD2 4.35Å; A111-Y113 HydrophobicContact CB-CE2 3.93Å; A111-Y113 WeakPolarHBondContact O-CD2 3.24Å
114	Y	98.5	Very high	97	Very high	85 Å²	85	67.7 Å²	67.7	33%	0.333	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.9	-176.7	-55.1	-76.4	0	0	0	110.3	V57 Q59 L65 V112	V57-Y114 PolarHBondContact N-O 3.02Å; V57-Y114 PolarHBondContact O-N 2.87Å; Q59-Y114 HydrophobicContact CB-CE2 3.91Å; Q59-Y114 PolarHBondContact OE1-OH 3.39Å; L65-Y114 HydrophobicContact CD2-CD2 4.25Å; L65-Y114 HydrophobicContact CD2-CE2 4.24Å; V112-Y114 HydrophobicContact CB-CE2 4Å; V112-Y114 HydrophobicContact CG1-CD1 4.38Å; V112-Y114 HydrophobicContact CG1-CE1 3.64Å; V112-Y114 HydrophobicContact CG1-CE2 3.86Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.22Å
115	C	98	Very high	97	Very high	14 Å²	14	67.9 Å²	67.9	10%	0.095	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	148.5	161.1	-52.4	0	0	0	0	110.6	L23 E25 C41 S55 F98	L23-C115 HydrophobicContact CB-CB 4.02Å; L23-C115 HydrophobicContact CD1-CB 3.8Å; L23-C115 HydrophobicContact CG-CB 4.43Å; E25-C115 HydrophobicContact CG-CB 4.46Å; E25-C115 VanDerWaalsContact CG-SG 3.54Å; E25-C115 WeakPolarHBondContact OE1-CB 3.46Å; E25-C115 PolarHBondContact OE1-N 3.04Å; C41-C115 HydrophobicContact CB-CB 4.04Å; C41-C115 WeakPolarHBondContact CB-SG 3.14Å; C41-C115 WeakPolarHBondContact SG-CB 3.1Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.03Å; S55-C115 CarbonylContact O-C 3.55Å; S55-C115 WeakPolarHBondContact O-CA 3.5Å; F98-C115 HydrophobicContact CZ-CB 3.85Å
116	A	96.7	Very high	96.9	Very high	36 Å²	36	72 Å²	72	30%	0.298	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.6	168.7	0	0	0	0	0	110.9	S55	S55-A116 PolarHBondContact N-O 3.46Å; S55-A116 PolarHBondContact O-N 2.94Å
117	R	91.1	Very high	96.9	Very high	160 Å²	160	72.5 Å²	72.5	60%	0.604	39%	0.391	S	S	*	.			trans	-120.5	0	168.3	-174.4	-175.8	69.9	156.6	-8	108.5	L23 N52 W54	L23-R117 HydrophobicContact CD1-CB 4.41Å; N52-R117 HydrophobicContact CB-CG 4.01Å; W54-R117 HydrophobicContact CE3-CB 3.76Å; W54-R117 HydrophobicContact CE3-CG 3.79Å; W54-R117 HydrophobicContact CH2-CB 4.41Å; W54-R117 HydrophobicContact CH2-CG 3.87Å; W54-R117 HydrophobicContact CZ3-CB 3.53Å; W54-R117 HydrophobicContact CZ3-CG 3.45Å; W54-R117 VanDerWaalsContact CZ3-CG 3.45Å

Retrieved 117 of 117 residues in 156.7 ms (Link to these results)

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