A0A075B7D4_HUMAN Loading...

Immunoglobulin kappa variable 1/OR2-108 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7D4, Species HUMAN (Homo sapiens, Human), Gene IGKV1OR2-108, Length 117 aa.

						>A0A075B7D4_HUMAN|A0A075B7D4|IGKV1OR2-108
MEMRVPAQLLGLLLLWLRGARCDIQVTQSPSSLSASVGDRVTITCRASQGISNGLSWYQQKPGQAPTLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCLQDYTTP
					

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(Predicted Aligned Error values between residue pairs)

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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	43.4	Very low	61.9	Low	227 Å²	227	132.7 Å²	132.7	100%	1.118	69%	0.691	S	S	*	*				0	98.3	0	-175	169.7	-178.7	0	0	106.3	M3	M1-M3 PolarHBondContact O-N 3.02Å; M1-M3 VanDerWaalsContact O-N 3.17Å
2	E	53.8	Low	62.3	Low	178 Å²	178	130.1 Å²	130.1	83%	0.832	68%	0.677	S	S	*	*			trans	-74.8	99.5	-177.9	-68.3	-67.1	127.1	0	0	109	R4	E2-R4 PolarHBondContact O-N 2.99Å
3	M	62.1	Low	62.8	Low	165 Å²	165	128.3 Å²	128.3	81%	0.813	67%	0.668	S	S	*	*			trans	-72.4	90.8	171.4	-86.4	172.1	52.4	0	0	109.2	M1 V5	M1-M3 PolarHBondContact O-N 3.02Å; M1-M3 VanDerWaalsContact O-N 3.17Å; M3-V5 PolarHBondContact O-N 3.31Å
4	R	66.1	Low	63	Low	230 Å²	230	126.9 Å²	126.9	87%	0.868	66%	0.661	S	S	*	*			trans	-72.1	106	166.6	-75.6	-178.3	177.7	165.6	-0.4	108.8	E2 P6	E2-R4 PolarHBondContact O-N 2.99Å; R4-P6 WeakPolarHBondContact O-CD 3.42Å
5	V	62.6	Low	63.3	Low	98 Å²	98	125.5 Å²	125.5	59%	0.594	65%	0.654	S	S	*	*			trans	-71.9	122	167.9	-177.7	0	0	0	0	107.9	M3 A7 L9	M3-V5 PolarHBondContact O-N 3.31Å; V5-A7 PolarHBondContact O-N 3.03Å; V5-L9 HydrophobicContact CG1-CB 3.96Å
6	P	59.9	Low	63.4	Low	67 Å²	67	131.2 Å²	131.2	44%	0.435	66%	0.664	S	S	.	*			trans	-60.5	135.9	177.9	-21	31	0	0	0	111.3	R4 Q8 L9 L10	R4-P6 WeakPolarHBondContact O-CD 3.42Å; P6-Q8 PolarHBondContact O-N 3.25Å; P6-L9 HydrophobicContact CB-CD1 4.27Å; P6-L9 HydrophobicContact CG-CD1 3.87Å; P6-L9 WeakPolarHBondContact O-CB 3.3Å; P6-L9 PolarHBondContact O-N 2.91Å; P6-L10 PolarHBondContact O-N 2.79Å
7	A	69	Low	63.5	Low	86 Å²	86	131.2 Å²	131.2	71%	0.711	67%	0.666	S	S	*	*	H	α-helix	trans	-54.6	-25.6	178	0	0	0	0	0	113.6	V5 L10 G11	V5-A7 PolarHBondContact O-N 3.03Å; A7-L10 WeakPolarHBondContact O-CB 3.29Å; A7-L10 PolarHBondContact O-N 3.28Å; A7-G11 PolarHBondContact O-N 2.99Å
8	Q	67.1	Low	63.3	Low	164 Å²	164	135.8 Å²	135.8	77%	0.766	67%	0.674	S	S	*	*	H	α-helix	trans	-65	-37.8	173.6	-61.3	-173	-83.8	0	0	112.7	P6 L10 G11 L12	P6-Q8 PolarHBondContact O-N 3.25Å; Q8-L10 VanDerWaalsContact C-N 3.3Å; Q8-G11 PolarHBondContact O-N 3.18Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.49Å
9	L	66.3	Low	63.3	Low	105 Å²	105	131.9 Å²	131.9	55%	0.55	67%	0.672	S	S	.	*	H	α-helix	trans	-65.4	-35.6	173.5	-98.3	120.4	0	0	0	111.3	V5 P6 L13	V5-L9 HydrophobicContact CG1-CB 3.96Å; P6-L9 HydrophobicContact CB-CD1 4.27Å; P6-L9 HydrophobicContact CG-CD1 3.87Å; P6-L9 WeakPolarHBondContact O-CB 3.3Å; P6-L9 PolarHBondContact O-N 2.91Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.23Å
10	L	64.5	Low	63.4	Low	105 Å²	105	130.2 Å²	130.2	55%	0.55	68%	0.678	S	S	.	*	H	α-helix	trans	-66.7	-43	176.2	-155	81.1	0	0	0	111.7	P6 A7 Q8 L13 L14	P6-L10 PolarHBondContact O-N 2.79Å; A7-L10 WeakPolarHBondContact O-CB 3.29Å; A7-L10 PolarHBondContact O-N 3.28Å; Q8-L10 VanDerWaalsContact C-N 3.3Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 2.75Å; L10-L14 VanDerWaalsContact O-N 3.08Å
11	G	65.7	Low	63.5	Low	35 Å²	35	134.8 Å²	134.8	36%	0.361	69%	0.687	S	S	.	*	H	α-helix	trans	-64.7	-40.7	176	0	0	0	0	0	113.1	A7 Q8 L14 L15	A7-G11 PolarHBondContact O-N 2.99Å; Q8-G11 PolarHBondContact O-N 3.18Å; G11-L14 PolarHBondContact O-N 2.74Å; G11-L15 PolarHBondContact O-N 2.9Å
12	L	67.5	Low	64.8	Low	101 Å²	101	129.7 Å²	129.7	53%	0.529	67%	0.672	S	S	.	*	H	α-helix	trans	-62.1	-46.1	171.3	-78.8	157.4	0	0	0	111.1	Q8 L14 L15 W16	Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.36Å; L12-L15 WeakPolarHBondContact O-CB 3.23Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-W16 PolarHBondContact O-N 2.68Å
13	L	68.4	Low	66.3	Low	107 Å²	107	124.2 Å²	124.2	56%	0.56	65%	0.648	S	S	*	*	H	α-helix	trans	-58	-39.3	178.3	-169.2	68.3	0	0	0	113	L9 L10 L15 W16	L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 3.48Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.84Å; L13-W16 PolarHBondContact O-N 3.22Å
14	L	66.4	Low	67.8	Low	109 Å²	109	116.7 Å²	116.7	57%	0.571	61%	0.611	S	S	*	*	H	α-helix	trans	-69.6	-27.6	176.4	-69.9	168.3	0	0	0	113.3	L10 G11 L12 W16 L17	L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 2.75Å; L10-L14 VanDerWaalsContact O-N 3.08Å; G11-L14 PolarHBondContact O-N 2.74Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.36Å; L14-W16 VanDerWaalsContact C-N 3.34Å; L14-L17 PolarHBondContact O-N 3.46Å
15	L	67.1	Low	69.2	Low	106 Å²	106	111.2 Å²	111.2	56%	0.555	60%	0.595	S	S	*	*	H	α-helix	trans	-70.6	-29.8	173.5	-76.2	154.4	0	0	0	112	G11 L12 L13 L17	G11-L15 PolarHBondContact O-N 2.9Å; L12-L15 WeakPolarHBondContact O-CB 3.23Å; L12-L15 PolarHBondContact O-N 2.89Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.84Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.88Å
16	W	64.8	Low	70.8	Confident	216 Å²	216	108.8 Å²	108.8	82%	0.818	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-15.5	175.8	-65.3	101.5	0	0	0	114	L12 L13 L14	L12-W16 PolarHBondContact O-N 2.68Å; L13-W16 PolarHBondContact O-N 3.22Å; L14-W16 VanDerWaalsContact C-N 3.34Å
17	L	64.5	Low	72.6	Confident	131 Å²	131	110 Å²	110	69%	0.686	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-3.6	-179.5	-70.3	164.8	0	0	0	114	L14 L15 G19	L14-L17 PolarHBondContact O-N 3.46Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.88Å; L17-G19 PolarHBondContact O-N 2.87Å
18	R	60.6	Low	74.1	Confident	215 Å²	215	109 Å²	109	81%	0.811	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	65.1	178.1	-66.7	-171.6	-179.9	-170.7	0.2	111.5
19	G	63.7	Low	75.6	Confident	62 Å²	62	104.4 Å²	104.4	64%	0.639	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.5	-10.8	-179.6	0	0	0	0	0	117.3	L17 R21	L17-G19 PolarHBondContact O-N 2.87Å; G19-R21 PolarHBondContact O-N 3.34Å
20	A	65	Low	77.1	Confident	96 Å²	96	101.8 Å²	101.8	79%	0.793	54%	0.543	S	S	*	.			trans	-73.8	92	174.9	0	0	0	0	0	109.4
21	R	64.3	Low	78.6	Confident	228 Å²	228	102.8 Å²	102.8	86%	0.86	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-76.6	122.3	161.3	-65.4	-172.2	179.9	-156.4	0.5	106.5	G19	G19-R21 PolarHBondContact O-N 3.34Å
22	C	71.1	Confident	80.1	Confident	119 Å²	119	105.8 Å²	105.8	80%	0.804	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-73.1	141.4	168.1	-66.8	0	0	0	0	108.7
23	D	86.3	Confident	81.5	Confident	63 Å²	63	105.7 Å²	105.7	34%	0.337	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-62.6	151.8	172	-174.6	21.9	0	0	0	111.1	Q25 P117	D23-Q25 PolarHBondContact O-N 2.91Å; D23-Q25 PolarHBondContact O-NE2 3.38Å; D23-P117 HydrophobicContact CB-CB 4.13Å; D23-P117 HydrophobicContact CB-CG 4.28Å
24	I	93.3	Very high	82.9	Confident	8 Å²	8	106.4 Å²	106.4	4%	0.041	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-69	117.6	177.1	-58.6	-175.2	0	0	0	108.8	A47 Q49 I51 Q112 Y114 T115	I24-A47 HydrophobicContact CG2-CB 4.22Å; I24-Q49 HydrophobicContact CD1-CG 3.69Å; I24-Q49 VanDerWaalsContact CD1-NE2 3.25Å; I24-Q49 HydrophobicContact CG1-CG 3.81Å; I24-Q49 HydrophobicContact CG2-CG 4.1Å; I24-I51 HydrophobicContact CD1-CG2 3.56Å; I24-I51 HydrophobicContact CG2-CG2 3.92Å; I24-Q112 HydrophobicContact CB-CG 3.92Å; I24-Q112 HydrophobicContact CG2-CG 3.91Å; I24-Y114 HydrophobicContact CD1-CD1 3.99Å; I24-T115 HydrophobicContact CD1-CG2 3.45Å; I24-T115 VanDerWaalsContact CD1-CG2 3.45Å; I24-T115 HydrophobicContact CG1-CG2 3.78Å
25	Q	95.1	Very high	84.4	Confident	114 Å²	114	103.3 Å²	103.3	53%	0.533	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-88.7	145.2	178.6	-57.5	-54.8	-67.5	0	0	110.3	D23 A47 S48	D23-Q25 PolarHBondContact O-N 2.91Å; D23-Q25 PolarHBondContact O-NE2 3.38Å; Q25-A47 CarbonylContact O-C 3.6Å; Q25-A47 WeakPolarHBondContact O-CA 3.24Å; Q25-S48 PolarHBondContact N-OG 2.8Å; Q25-S48 VanDerWaalsContact N-OG 3.12Å; Q25-S48 PolarHBondContact O-N 2.88Å
26	V	96.9	Very high	85.9	Confident	47 Å²	47	102 Å²	102	29%	0.285	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120	141.6	172.4	-65.7	0	0	0	0	110.6	R46 A47 Q112	V26-R46 CarbonylContact C-O 3.55Å; V26-R46 VanDerWaalsContact CA-O 3.31Å; V26-R46 WeakPolarHBondContact CA-O 3.31Å; V26-A47 HydrophobicContact CG1-CB 4.32Å; V26-Q112 HydrophobicContact CG1-CB 4.11Å; V26-Q112 HydrophobicContact CG1-CG 4.36Å
27	T	98.3	Very high	87.5	Confident	92 Å²	92	96.2 Å²	96.2	56%	0.564	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.8	131	175.9	56.9	0	0	0	0	110.1	C45 R46	T27-C45 CarbonylContact O-C 3.47Å; T27-C45 WeakPolarHBondContact O-CA 3.37Å; T27-R46 PolarHBondContact N-O 2.81Å; T27-R46 PolarHBondContact O-N 3.23Å; T27-R46 PolarHBondContact OG1-O 2.82Å
28	Q	98.5	Very high	89.1	Confident	67 Å²	67	91.8 Å²	91.8	31%	0.313	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	148.9	-179.2	-71.1	177.5	-126.1	0	0	112.5	T44 C45 Y108 C110	Q28-T44 VanDerWaalsContact CA-O 3.23Å; Q28-T44 WeakPolarHBondContact CA-O 3.5Å; Q28-C45 HydrophobicContact CG-CB 4.22Å; Q28-Y108 PolarHBondContact NE2-O 2.65Å; Q28-C110 VanDerWaalsContact CD-SG 3.56Å; Q28-C110 HydrophobicContact CG-CB 4.35Å; Q28-C110 WeakPolarHBondContact CG-SG 3.33Å; Q28-C110 PolarHBondContact OE1-SG 2.88Å
29	S	98.7	Very high	90.9	Very high	67 Å²	67	85 Å²	85	47%	0.469	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.7	174.3	-172.7	0	0	0	0	112.1	I43 T44	S29-I43 WeakPolarHBondContact O-CA 3.32Å; S29-T44 PolarHBondContact N-O 3.29Å; S29-T44 PolarHBondContact O-N 3.27Å; S29-T44 PolarHBondContact O-OG1 3.44Å
30	P	98.4	Very high	92.6	Very high	50 Å²	50	89.9 Å²	89.9	33%	0.325	53%	0.53	S	S	.	.			cis	-73.4	162.3	-10.1	33.4	-36.1	0	0	0	111.6	S32 L33	P30-S32 VanDerWaalsContact C-N 3.31Å; P30-L33 HydrophobicContact CG-CB 4.03Å; P30-L33 HydrophobicContact CG-CD1 4.43Å
31	S	96.1	Very high	94.2	Very high	125 Å²	125	85.8 Å²	85.8	87%	0.874	50%	0.496	S	S	*	.	S	Bend	trans	-70.7	-27.5	175.3	53.7	0	0	0	0	113.2
32	S	97.4	Very high	95.8	Very high	99 Å²	99	77.7 Å²	77.7	69%	0.692	47%	0.472	S	S	*	.	S	Bend	trans	-148.9	142.4	174.8	61.8	0	0	0	0	109.5	P30	P30-S32 VanDerWaalsContact C-N 3.31Å
33	L	96.7	Very high	97.1	Very high	99 Å²	99	73 Å²	73	52%	0.518	44%	0.438	S	S	.	.			trans	-137.4	140.6	177.1	-177.7	69.4	0	0	0	109.4	P30 V41	P30-L33 HydrophobicContact CG-CB 4.03Å; P30-L33 HydrophobicContact CG-CD1 4.43Å; L33-V41 HydrophobicContact CD2-CB 4.13Å; L33-V41 HydrophobicContact CD2-CG1 3.46Å; L33-V41 VanDerWaalsContact CD2-CG1 3.46Å; L33-V41 HydrophobicContact CD2-CG2 3.84Å
34	S	97.8	Very high	97.7	Very high	122 Å²	122	73 Å²	73	85%	0.853	44%	0.44	S	S	*	.			trans	-114.5	133.4	165.6	-63.5	0	0	0	0	108.2
35	A	97.6	Very high	98	Very high	43 Å²	43	72.6 Å²	72.6	36%	0.355	44%	0.439	S	S	.	.			trans	-149.3	158.7	-178	0	0	0	0	0	109.5	D39 V41 L100	A35-D39 HydrophobicContact CB-CB 4.13Å; A35-V41 HydrophobicContact CB-CG2 3.76Å; A35-L100 HydrophobicContact CB-CD2 3.83Å
36	S	98.5	Very high	98.2	Very high	78 Å²	78	73.4 Å²	73.4	55%	0.545	44%	0.437	S	S	.	.			trans	-87.2	155.6	178.9	-55.7	0	0	0	0	111.2	G38 D39	S36-G38 PolarHBondContact O-N 3.02Å; S36-D39 WeakPolarHBondContact CA-OD2 3.49Å; S36-D39 WeakPolarHBondContact CB-OD2 3.44Å; S36-D39 PolarHBondContact N-OD2 3.02Å; S36-D39 WeakPolarHBondContact O-CB 3.49Å; S36-D39 PolarHBondContact O-N 2.95Å
37	V	98.5	Very high	98.2	Very high	95 Å²	95	71.3 Å²	71.3	58%	0.576	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.8	170.9	174.7	0	0	0	0	109.4	D39 L100 P102	V37-D39 VanDerWaalsContact C-N 3.34Å; V37-L100 WeakPolarHBondContact CA-O 3.28Å; V37-P102 HydrophobicContact CG2-CG 4.04Å
38	G	98.6	Very high	98.1	Very high	38 Å²	38	70.5 Å²	70.5	39%	0.392	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-16.7	-175.3	0	0	0	0	0	114.7	S36 L100	S36-G38 PolarHBondContact O-N 3.02Å; G38-L100 PolarHBondContact N-O 3Å
39	D	98.6	Very high	98	Very high	73 Å²	73	71.8 Å²	71.8	39%	0.39	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-65.5	150.7	177.7	-72	-12	0	0	0	111.5	A35 S36 V37 L100	A35-D39 HydrophobicContact CB-CB 4.13Å; S36-D39 WeakPolarHBondContact CA-OD2 3.49Å; S36-D39 WeakPolarHBondContact CB-OD2 3.44Å; S36-D39 PolarHBondContact N-OD2 3.02Å; S36-D39 WeakPolarHBondContact O-CB 3.49Å; S36-D39 PolarHBondContact O-N 2.95Å; V37-D39 VanDerWaalsContact C-N 3.34Å; D39-L100 WeakPolarHBondContact O-CB 3.48Å; D39-L100 PolarHBondContact O-N 3.17Å
40	R	98.7	Very high	97.9	Very high	164 Å²	164	70.4 Å²	70.4	62%	0.619	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-82.9	120.2	166.7	179.9	-175.2	173.9	108.6	1.6	109.3	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.21Å; R40-T96 VanDerWaalsContact NH2-CG2 3.3Å; R40-T96 PolarHBondContact NH2-OG1 2.85Å; R40-I97 CarbonylContact C-O 3.54Å; R40-I97 VanDerWaalsContact CA-O 3.32Å; R40-I97 WeakPolarHBondContact CA-O 3.4Å
41	V	98.5	Very high	97.9	Very high	11 Å²	11	68 Å²	68	7%	0.067	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.8	174.9	168.2	0	0	0	0	110.1	L33 A35 I43 T96 I97 L100	L33-V41 HydrophobicContact CD2-CB 4.13Å; L33-V41 HydrophobicContact CD2-CG1 3.46Å; L33-V41 VanDerWaalsContact CD2-CG1 3.46Å; L33-V41 HydrophobicContact CD2-CG2 3.84Å; A35-V41 HydrophobicContact CB-CG2 3.76Å; V41-I43 HydrophobicContact CG1-CG1 4.35Å; V41-T96 CarbonylContact O-C 3.57Å; V41-T96 WeakPolarHBondContact O-CA 3.29Å; V41-I97 HydrophobicContact CB-CB 4.22Å; V41-I97 HydrophobicContact CB-CD1 4.44Å; V41-I97 HydrophobicContact CB-CG1 4.44Å; V41-I97 HydrophobicContact CG1-CD1 4.41Å; V41-I97 PolarHBondContact N-O 3.07Å; V41-I97 PolarHBondContact O-N 2.76Å; V41-L100 HydrophobicContact CG2-CB 4.44Å; V41-L100 HydrophobicContact CG2-CD1 4.26Å; V41-L100 HydrophobicContact CG2-CD2 4.16Å
42	T	98.7	Very high	98	Very high	58 Å²	58	65.4 Å²	65.4	36%	0.356	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	175.8	-51.8	0	0	0	0	109.7	T94 L95	T42-T94 HydrophobicContact CG2-CG2 3.27Å; T42-L95 CarbonylContact C-O 3.18Å; T42-L95 WeakPolarHBondContact CA-O 3.48Å
43	I	98.8	Very high	98	Very high	20 Å²	20	64.6 Å²	64.6	10%	0.103	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.5	173.3	-55.3	173.7	0	0	0	107.2	S29 V41 W57 T94 L95 Y108	S29-I43 WeakPolarHBondContact O-CA 3.32Å; V41-I43 HydrophobicContact CG1-CG1 4.35Å; I43-W57 HydrophobicContact CB-CH2 4.33Å; I43-W57 HydrophobicContact CB-CZ3 4.43Å; I43-W57 HydrophobicContact CG2-CH2 3.95Å; I43-W57 HydrophobicContact CG2-CZ3 3.95Å; I43-T94 CarbonylContact O-C 3.55Å; I43-T94 WeakPolarHBondContact O-CA 3.32Å; I43-L95 HydrophobicContact CB-CB 4.38Å; I43-L95 HydrophobicContact CD1-CD2 4.32Å; I43-L95 PolarHBondContact N-O 3.43Å; I43-L95 PolarHBondContact O-N 2.94Å; I43-Y108 HydrophobicContact CD1-CD2 4.02Å; I43-Y108 HydrophobicContact CD1-CG 4.08Å
44	T	98.8	Very high	98.1	Very high	62 Å²	62	60.3 Å²	60.3	38%	0.38	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.8	176.3	61.2	0	0	0	0	110.9	Q28 S29 F93	Q28-T44 VanDerWaalsContact CA-O 3.23Å; Q28-T44 WeakPolarHBondContact CA-O 3.5Å; S29-T44 PolarHBondContact N-O 3.29Å; S29-T44 PolarHBondContact O-N 3.27Å; S29-T44 PolarHBondContact O-OG1 3.44Å; T44-F93 CarbonylContact C-O 3.13Å; T44-F93 WeakPolarHBondContact CA-O 3.26Å
45	C	98.8	Very high	98.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.5	170.9	177.6	0	0	0	0	108.9	T27 Q28 W57 F93 C110	T27-C45 CarbonylContact O-C 3.47Å; T27-C45 WeakPolarHBondContact O-CA 3.37Å; Q28-C45 HydrophobicContact CG-CB 4.22Å; C45-W57 HydrophobicContact CB-CH2 3.57Å; C45-W57 HydrophobicContact CB-CZ2 3.68Å; C45-W57 HydrophobicContact CB-CZ3 4.47Å; C45-F93 HydrophobicContact CB-CB 4.36Å; C45-F93 PolarHBondContact N-O 2.92Å; C45-F93 PolarHBondContact O-N 2.93Å; C45-C110 HydrophobicContact CB-CB 3.46Å; C45-C110 VanDerWaalsContact CB-CB 3.46Å; C45-C110 WeakPolarHBondContact CB-SG 3.42Å; C45-C110 WeakPolarHBondContact SG-CB 3.21Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 3Å
46	R	98.7	Very high	98.2	Very high	131 Å²	131	52.6 Å²	52.6	49%	0.494	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.6	178.9	-173.1	177.9	-176.4	98.7	0.2	110.2	V26 T27 T91 D92	V26-R46 CarbonylContact C-O 3.55Å; V26-R46 VanDerWaalsContact CA-O 3.31Å; V26-R46 WeakPolarHBondContact CA-O 3.31Å; T27-R46 PolarHBondContact N-O 2.81Å; T27-R46 PolarHBondContact O-N 3.23Å; T27-R46 PolarHBondContact OG1-O 2.82Å; R46-T91 CarbonylContact C-O 3.54Å; R46-T91 VanDerWaalsContact CA-O 3.24Å; R46-T91 WeakPolarHBondContact CA-O 3.46Å; R46-D92 IonicContact CZ-OD1 3.61Å; R46-D92 IonicContact CZ-OD2 3.64Å; R46-D92 IonicContact NE-OD1 2.74Å; R46-D92 IonicContact NH1-OD1 3.08Å; R46-D92 PolarHBondContact NH1-OD1 2.84Å; R46-D92 IonicContact NH1-OD2 3.63Å; R46-D92 PolarHBondContact NH1-OD2 2.88Å; R46-D92 VanDerWaalsContact NH1-OD2 3.08Å
47	A	98	Very high	98.2	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	148.1	172.6	0	0	0	0	0	111	I24 Q25 V26 Q49 I51 T91	I24-A47 HydrophobicContact CG2-CB 4.22Å; Q25-A47 CarbonylContact O-C 3.6Å; Q25-A47 WeakPolarHBondContact O-CA 3.24Å; V26-A47 HydrophobicContact CG1-CB 4.32Å; A47-Q49 WeakPolarHBondContact CB-O 3.46Å; A47-Q49 PolarHBondContact O-N 2.87Å; A47-I51 HydrophobicContact CB-CD1 3.71Å; A47-I51 HydrophobicContact CB-CG1 3.94Å; A47-I51 HydrophobicContact CB-CG2 4.18Å; A47-T91 PolarHBondContact N-O 3.01Å
48	S	96.7	Very high	98.2	Very high	75 Å²	75	47.4 Å²	47.4	52%	0.524	26%	0.261	S	S	.	.	S	Bend	trans	-67.1	-17.4	179.3	61.6	0	0	0	0	113.7	Q25	Q25-S48 PolarHBondContact N-OG 2.8Å; Q25-S48 VanDerWaalsContact N-OG 3.12Å; Q25-S48 PolarHBondContact O-N 2.88Å
49	Q	95.8	Very high	98.2	Very high	95 Å²	95	46.5 Å²	46.5	44%	0.444	25%	0.246	S	C	.	.	S	Bend	trans	-149.6	171.4	176.3	63.4	-177.2	53.5	0	0	110.1	I24 A47 I51	I24-Q49 HydrophobicContact CD1-CG 3.69Å; I24-Q49 VanDerWaalsContact CD1-NE2 3.25Å; I24-Q49 HydrophobicContact CG1-CG 3.81Å; I24-Q49 HydrophobicContact CG2-CG 4.1Å; A47-Q49 WeakPolarHBondContact CB-O 3.46Å; A47-Q49 PolarHBondContact O-N 2.87Å; Q49-I51 PolarHBondContact O-N 2.88Å
50	G	97.5	Very high	98.2	Very high	38 Å²	38	45.6 Å²	45.6	39%	0.392	24%	0.24	S	C	.	.			trans	-66	125.4	179.2	0	0	0	0	0	112.3
51	I	97.5	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.			trans	-118.3	21.1	179.9	57.8	170.1	0	0	0	112.9	I24 A47 Q49 N53 G54 L55 G90 F93 Q112 Y114	I24-I51 HydrophobicContact CD1-CG2 3.56Å; I24-I51 HydrophobicContact CG2-CG2 3.92Å; A47-I51 HydrophobicContact CB-CD1 3.71Å; A47-I51 HydrophobicContact CB-CG1 3.94Å; A47-I51 HydrophobicContact CB-CG2 4.18Å; Q49-I51 PolarHBondContact O-N 2.88Å; I51-N53 PolarHBondContact O-N 3.29Å; I51-N53 VanDerWaalsContact O-N 3.14Å; I51-G54 WeakPolarHBondContact O-CA 3.46Å; I51-G54 PolarHBondContact O-N 3.47Å; I51-L55 HydrophobicContact CD1-CB 4.15Å; I51-L55 HydrophobicContact CD1-CD1 3.81Å; I51-G90 VanDerWaalsContact CG1-O 3.25Å; I51-G90 WeakPolarHBondContact CG1-O 3.36Å; I51-G90 PolarHBondContact N-O 3.23Å; I51-F93 HydrophobicContact CD1-CD2 4.38Å; I51-F93 HydrophobicContact CD1-CE2 3.54Å; I51-F93 HydrophobicContact CD1-CZ 3.86Å; I51-F93 HydrophobicContact CG1-CE2 3.52Å; I51-F93 HydrophobicContact CG1-CZ 3.59Å; I51-Q112 HydrophobicContact CD1-CB 3.65Å; I51-Q112 HydrophobicContact CG2-CB 4.37Å; I51-Y114 HydrophobicContact CB-CD1 4.37Å; I51-Y114 HydrophobicContact CB-CD2 4.41Å; I51-Y114 HydrophobicContact CB-CG 3.89Å; I51-Y114 HydrophobicContact CG2-CD1 4.09Å; I51-Y114 HydrophobicContact CG2-CG 4.05Å; I51-Y114 VanDerWaalsContact O-CD2 3.32Å; I51-Y114 WeakPolarHBondContact O-CD2 3.5Å
52	S	98	Very high	98.1	Very high	70 Å²	70	45.6 Å²	45.6	49%	0.49	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-117.9	-174.9	-173	0	0	0	0	111	S89 G90 F93	S52-S89 CarbonylContact O-C 3.56Å; S52-S89 WeakPolarHBondContact O-CA 3.34Å; S52-G90 PolarHBondContact O-N 2.81Å; S52-F93 WeakPolarHBondContact O-CZ 3.32Å
53	N	98.1	Very high	98.1	Very high	81 Å²	81	47.3 Å²	47.3	43%	0.433	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	16	170.3	65.2	-23.2	0	0	0	112.4	I51 L55 A72 A73	I51-N53 PolarHBondContact O-N 3.29Å; I51-N53 VanDerWaalsContact O-N 3.14Å; N53-L55 PolarHBondContact O-N 3.25Å; N53-A72 CarbonylContact O-C 3.59Å; N53-A72 WeakPolarHBondContact O-CA 3.29Å; N53-A73 HydrophobicContact CB-CB 4.11Å; N53-A73 PolarHBondContact O-N 2.82Å
54	G	97.9	Very high	98	Very high	9 Å²	9	51.6 Å²	51.6	9%	0.093	30%	0.304	C	S	.	.			trans	-74.9	54.7	-179.1	0	0	0	0	0	112.9	I51 Q112 D113	I51-G54 WeakPolarHBondContact O-CA 3.46Å; I51-G54 PolarHBondContact O-N 3.47Å; G54-Q112 CarbonylContact O-C 3.51Å; G54-Q112 VanDerWaalsContact O-CA 3.29Å; G54-Q112 WeakPolarHBondContact O-CA 3.38Å; G54-D113 WeakPolarHBondContact CA-OD1 3.42Å; G54-D113 PolarHBondContact O-N 3.05Å
55	L	98.5	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.7	174.5	-167.6	105.5	0	0	0	109.9	I51 N53 W57 A72 A73 F93 C110 L111	I51-L55 HydrophobicContact CD1-CB 4.15Å; I51-L55 HydrophobicContact CD1-CD1 3.81Å; N53-L55 PolarHBondContact O-N 3.25Å; L55-W57 HydrophobicContact CD2-CZ2 4.24Å; L55-A72 PolarHBondContact O-N 2.89Å; L55-A73 WeakPolarHBondContact O-CA 3.42Å; L55-A73 PolarHBondContact O-N 3.05Å; L55-F93 HydrophobicContact CB-CD1 3.91Å; L55-F93 HydrophobicContact CB-CD2 4.37Å; L55-F93 HydrophobicContact CB-CE1 3.91Å; L55-F93 HydrophobicContact CB-CE2 4.4Å; L55-F93 HydrophobicContact CB-CG 4.15Å; L55-F93 HydrophobicContact CB-CZ 4.18Å; L55-F93 HydrophobicContact CD1-CD2 3.93Å; L55-F93 HydrophobicContact CD1-CE2 4.33Å; L55-F93 HydrophobicContact CD1-CG 4.19Å; L55-F93 HydrophobicContact CD2-CB 3.55Å; L55-F93 HydrophobicContact CD2-CD1 3.93Å; L55-F93 HydrophobicContact CD2-CD2 4.25Å; L55-F93 HydrophobicContact CD2-CG 3.65Å; L55-F93 HydrophobicContact CG-CD1 4.4Å; L55-F93 HydrophobicContact CG-CD2 4.4Å; L55-F93 HydrophobicContact CG-CG 4.19Å; L55-C110 HydrophobicContact CD1-CB 4.1Å; L55-C110 HydrophobicContact CD2-CB 4.16Å; L55-C110 HydrophobicContact CG-CB 4.35Å; L55-L111 WeakPolarHBondContact CA-O 3.4Å
56	S	98.7	Very high	98	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.028	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.6	172.5	-68.7	0	0	0	0	110.8	I70 C110 L111 D113	S56-I70 CarbonylContact C-O 3.58Å; S56-I70 WeakPolarHBondContact CA-O 3.21Å; S56-C110 CarbonylContact O-C 3.58Å; S56-C110 WeakPolarHBondContact O-CA 3.38Å; S56-L111 PolarHBondContact N-O 3.48Å; S56-L111 PolarHBondContact O-N 2.87Å; S56-D113 PolarHBondContact OG-OD2 3.01Å
57	W	98.8	Very high	97.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.6	171.8	-68.5	96.4	0	0	0	110.3	I43 C45 L55 L69 I70 L95 Y109 C110	I43-W57 HydrophobicContact CB-CH2 4.33Å; I43-W57 HydrophobicContact CB-CZ3 4.43Å; I43-W57 HydrophobicContact CG2-CH2 3.95Å; I43-W57 HydrophobicContact CG2-CZ3 3.95Å; C45-W57 HydrophobicContact CB-CH2 3.57Å; C45-W57 HydrophobicContact CB-CZ2 3.68Å; C45-W57 HydrophobicContact CB-CZ3 4.47Å; L55-W57 HydrophobicContact CD2-CZ2 4.24Å; W57-L69 HydrophobicContact CB-CB 4.43Å; W57-L69 HydrophobicContact CB-CD2 4.49Å; W57-L69 WeakPolarHBondContact O-CA 3.4Å; W57-L69 WeakPolarHBondContact O-CB 3.39Å; W57-L69 PolarHBondContact O-N 2.83Å; W57-I70 HydrophobicContact CB-CB 4.18Å; W57-I70 PolarHBondContact N-O 3.33Å; W57-I70 PolarHBondContact O-N 3Å; W57-L95 HydrophobicContact CD2-CB 3.65Å; W57-L95 HydrophobicContact CD2-CD2 4.1Å; W57-L95 HydrophobicContact CD2-CG 4.35Å; W57-L95 HydrophobicContact CE3-CB 3.87Å; W57-L95 HydrophobicContact CE3-CD2 3.8Å; W57-L95 HydrophobicContact CE3-CG 4.44Å; W57-L95 HydrophobicContact CG-CB 4.24Å; W57-L95 HydrophobicContact CG-CD1 4.43Å; W57-L95 HydrophobicContact CG-CD2 4.48Å; W57-L95 HydrophobicContact CH2-CB 3.86Å; W57-L95 HydrophobicContact CZ2-CB 3.66Å; W57-L95 HydrophobicContact CZ3-CB 3.96Å; W57-L95 HydrophobicContact CZ3-CD2 4.24Å; W57-Y109 CarbonylContact C-O 3.6Å; W57-Y109 WeakPolarHBondContact CA-O 3.41Å; W57-C110 HydrophobicContact CD2-CB 4.16Å; W57-C110 HydrophobicContact CE3-CB 3.87Å; W57-C110 HydrophobicContact CH2-CB 3.98Å; W57-C110 HydrophobicContact CZ2-CB 4.23Å; W57-C110 HydrophobicContact CZ3-CB 3.78Å
58	Y	98.8	Very high	98	Very high	63 Å²	63	54.7 Å²	54.7	25%	0.247	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.1	177.5	-65.9	-98.1	0	0	0	110.1	P66 T67 L68 Y108 Y109 L111	Y58-P66 HydrophobicContact CD1-CB 4.5Å; Y58-T67 CarbonylContact C-O 3.59Å; Y58-T67 VanDerWaalsContact CA-O 3.29Å; Y58-T67 WeakPolarHBondContact CA-O 3.22Å; Y58-L68 HydrophobicContact CD1-CB 4.33Å; Y58-L68 HydrophobicContact CD1-CD1 4.46Å; Y58-L68 HydrophobicContact CE1-CB 4.03Å; Y58-L68 HydrophobicContact CE1-CD1 3.96Å; Y58-L68 HydrophobicContact CE2-CD1 4.23Å; Y58-Y108 VanDerWaalsContact O-CA 3.32Å; Y58-Y108 WeakPolarHBondContact O-CA 3.28Å; Y58-Y109 PolarHBondContact N-O 2.02Å; Y58-Y109 PolarHBondContact O-N 3.47Å; Y58-L111 HydrophobicContact CD2-CB 4.3Å; Y58-L111 HydrophobicContact CE2-CB 3.93Å; Y58-L111 HydrophobicContact CE2-CD2 4.02Å
59	Q	98.7	Very high	98.1	Very high	19 Å²	19	51.4 Å²	51.4	9%	0.089	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133	171.9	-175.7	-173.8	62.5	0	0	108.8	P66 T67 A106 Y108	Q59-P66 WeakPolarHBondContact O-CA 3.47Å; Q59-T67 PolarHBondContact N-O 3.3Å; Q59-T67 PolarHBondContact O-N 2.97Å; Q59-T67 PolarHBondContact O-OG1 2.89Å; Q59-A106 HydrophobicContact CG-CB 3.48Å; Q59-A106 VanDerWaalsContact CG-CB 3.48Å; Q59-Y108 HydrophobicContact CB-CD1 4.18Å; Q59-Y108 HydrophobicContact CB-CE1 3.97Å; Q59-Y108 HydrophobicContact CG-CD1 4.27Å; Q59-Y108 HydrophobicContact CG-CE1 3.74Å; Q59-Y108 PolarHBondContact NE2-OH 3.08Å
60	Q	98.6	Very high	98.2	Very high	54 Å²	54	46.9 Å²	46.9	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	109.1	173.9	-172.5	179.4	26.7	0	0	110.2	Q64 P66 A106 T107 Y109	Q60-Q64 VanDerWaalsContact CG-O 3.3Å; Q60-Q64 WeakPolarHBondContact CG-O 3.22Å; Q60-Q64 PolarHBondContact NE2-O 2.86Å; Q60-P66 HydrophobicContact CB-CB 4.32Å; Q60-P66 HydrophobicContact CB-CG 4.21Å; Q60-P66 HydrophobicContact CG-CG 4.13Å; Q60-A106 WeakPolarHBondContact O-CA 3.36Å; Q60-A106 WeakPolarHBondContact O-CB 3.43Å; Q60-T107 PolarHBondContact N-O 2.84Å; Q60-T107 PolarHBondContact O-N 2.86Å; Q60-Y109 HydrophobicContact CB-CD2 4.43Å; Q60-Y109 HydrophobicContact CB-CE2 3.76Å; Q60-Y109 VanDerWaalsContact OE1-CE2 3.24Å; Q60-Y109 PolarHBondContact OE1-OH 3.49Å
61	K	97.7	Very high	98.3	Very high	64 Å²	64	50.2 Å²	50.2	28%	0.278	30%	0.301	S	S	.	.			trans	-76.9	152.8	172.5	-67.6	-177.2	178.5	-172.5	0	110.5	G63 Q64 E103 A106	K61-G63 PolarHBondContact O-N 2.88Å; K61-Q64 HydrophobicContact CB-CB 4.3Å; K61-Q64 HydrophobicContact CB-CG 4.23Å; K61-Q64 PolarHBondContact O-N 2.79Å; K61-E103 VanDerWaalsContact CE-O 3.23Å; K61-E103 WeakPolarHBondContact CE-O 3.37Å; K61-E103 PolarHBondContact NZ-O 3.08Å; K61-A106 HydrophobicContact CG-CB 4.23Å
62	P	97.2	Very high	98.3	Very high	111 Å²	111	51.5 Å²	51.5	72%	0.721	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.7	177.6	-27.7	35.4	0	0	0	112.2	Q64	P62-Q64 PolarHBondContact O-N 2.87Å
63	G	97.6	Very high	98.3	Very high	95 Å²	95	48.2 Å²	48.2	98%	0.979	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	5.3	179.8	0	0	0	0	0	115.7	K61	K61-G63 PolarHBondContact O-N 2.88Å
64	Q	98.1	Very high	98.4	Very high	110 Å²	110	47.8 Å²	47.8	51%	0.514	29%	0.292	S	S	.	.	S	Bend	trans	-111.4	160.6	178.5	-58.7	-173.7	17.3	0	0	111.6	Q60 K61 P62	Q60-Q64 VanDerWaalsContact CG-O 3.3Å; Q60-Q64 WeakPolarHBondContact CG-O 3.22Å; Q60-Q64 PolarHBondContact NE2-O 2.86Å; K61-Q64 HydrophobicContact CB-CB 4.3Å; K61-Q64 HydrophobicContact CB-CG 4.23Å; K61-Q64 PolarHBondContact O-N 2.79Å; P62-Q64 PolarHBondContact O-N 2.87Å
65	A	98.1	Very high	98.4	Very high	73 Å²	73	49.4 Å²	49.4	60%	0.603	30%	0.302	S	S	*	.			trans	-72.4	152.1	169.3	0	0	0	0	0	110.5	T67	A65-T67 PolarHBondContact O-N 2.9Å
66	P	98.3	Very high	98.4	Very high	66 Å²	66	52.4 Å²	52.4	43%	0.429	32%	0.318	S	S	.	.			trans	-59.7	135.4	171.8	-21.6	32.8	0	0	0	111.8	Y58 Q59 Q60	Y58-P66 HydrophobicContact CD1-CB 4.5Å; Q59-P66 WeakPolarHBondContact O-CA 3.47Å; Q60-P66 HydrophobicContact CB-CB 4.32Å; Q60-P66 HydrophobicContact CB-CG 4.21Å; Q60-P66 HydrophobicContact CG-CG 4.13Å
67	T	98.4	Very high	98.4	Very high	74 Å²	74	55.7 Å²	55.7	45%	0.454	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.5	176.4	56.4	0	0	0	0	110.7	Y58 Q59 A65 L69	Y58-T67 CarbonylContact C-O 3.59Å; Y58-T67 VanDerWaalsContact CA-O 3.29Å; Y58-T67 WeakPolarHBondContact CA-O 3.22Å; Q59-T67 PolarHBondContact N-O 3.3Å; Q59-T67 PolarHBondContact O-N 2.97Å; Q59-T67 PolarHBondContact O-OG1 2.89Å; A65-T67 PolarHBondContact O-N 2.9Å; T67-L69 PolarHBondContact O-N 2.8Å
68	L	98.7	Very high	98.4	Very high	48 Å²	48	61 Å²	61	25%	0.251	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.6	177.9	-177.9	62.9	0	0	0	110.7	Y58 I70 Q77	Y58-L68 HydrophobicContact CD1-CB 4.33Å; Y58-L68 HydrophobicContact CD1-CD1 4.46Å; Y58-L68 HydrophobicContact CE1-CB 4.03Å; Y58-L68 HydrophobicContact CE1-CD1 3.96Å; Y58-L68 HydrophobicContact CE2-CD1 4.23Å; L68-I70 WeakPolarHBondContact CD1-O 3.35Å; L68-Q77 HydrophobicContact CG-CB 4.3Å; L68-Q77 WeakPolarHBondContact O-CB 3.43Å
69	L	98.7	Very high	98.4	Very high	5 Å²	5	62 Å²	62	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-53.4	-179.6	-173.6	74.8	0	0	0	111	W57 T67 Q77 V80 F84 L95 Y108	W57-L69 HydrophobicContact CB-CB 4.43Å; W57-L69 HydrophobicContact CB-CD2 4.49Å; W57-L69 WeakPolarHBondContact O-CA 3.4Å; W57-L69 WeakPolarHBondContact O-CB 3.39Å; W57-L69 PolarHBondContact O-N 2.83Å; T67-L69 PolarHBondContact O-N 2.8Å; L69-Q77 PolarHBondContact O-N 3.39Å; L69-V80 HydrophobicContact CD1-CB 4.39Å; L69-V80 HydrophobicContact CD1-CG1 3.44Å; L69-V80 VanDerWaalsContact CD1-CG1 3.44Å; L69-V80 HydrophobicContact CD1-CG2 3.98Å; L69-V80 HydrophobicContact CG-CG1 4.14Å; L69-F84 HydrophobicContact CD1-CD1 4.06Å; L69-F84 HydrophobicContact CD1-CD2 4.34Å; L69-F84 HydrophobicContact CD1-CE1 4.23Å; L69-F84 HydrophobicContact CD1-CG 4.11Å; L69-F84 HydrophobicContact CD1-CZ 4.46Å; L69-F84 HydrophobicContact CD2-CD1 3.74Å; L69-F84 HydrophobicContact CD2-CE1 4.11Å; L69-F84 HydrophobicContact CD2-CG 4.39Å; L69-F84 HydrophobicContact CG-CD1 4.32Å; L69-L95 HydrophobicContact CD2-CD1 3.82Å; L69-L95 HydrophobicContact CD2-CD2 4.11Å; L69-Y108 HydrophobicContact CD2-CD1 4.11Å; L69-Y108 HydrophobicContact CD2-CE1 3.95Å
70	I	98.9	Very high	98.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.7	-180	-71	150.9	0	0	0	108.3	S56 W57 L68 S75 L76 L95	S56-I70 CarbonylContact C-O 3.58Å; S56-I70 WeakPolarHBondContact CA-O 3.21Å; W57-I70 HydrophobicContact CB-CB 4.18Å; W57-I70 PolarHBondContact N-O 3.33Å; W57-I70 PolarHBondContact O-N 3Å; L68-I70 WeakPolarHBondContact CD1-O 3.35Å; I70-S75 CarbonylContact C-O 3.56Å; I70-S75 VanDerWaalsContact CA-O 3.22Å; I70-S75 WeakPolarHBondContact CA-O 3.3Å; I70-S75 WeakPolarHBondContact CG2-O 3.38Å; I70-L76 HydrophobicContact CD1-CD2 4.09Å; I70-L76 HydrophobicContact CG1-CD2 3.57Å; I70-L76 HydrophobicContact CG1-CG 4.47Å; I70-L95 HydrophobicContact CD1-CD1 3.51Å
71	Y	98.6	Very high	98.4	Very high	108 Å²	108	62.4 Å²	62.4	42%	0.424	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	166.1	172.6	67.8	-85.2	0	0	0	110.6	A73 S74 S75	Y71-A73 PolarHBondContact O-N 2.81Å; Y71-A73 VanDerWaalsContact O-N 3.16Å; Y71-S74 PolarHBondContact O-N 2.86Å; Y71-S75 VanDerWaalsContact CD1-O 3.3Å; Y71-S75 WeakPolarHBondContact CD1-O 3Å; Y71-S75 PolarHBondContact N-O 2.83Å; Y71-S75 WeakPolarHBondContact O-CB 3.5Å; Y71-S75 PolarHBondContact O-N 2.84Å
72	A	98.2	Very high	98.4	Very high	27 Å²	27	64.9 Å²	64.9	22%	0.223	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	41.1	-179.2	0	0	0	0	0	112.8	N53 L55 S74	N53-A72 CarbonylContact O-C 3.59Å; N53-A72 WeakPolarHBondContact O-CA 3.29Å; L55-A72 PolarHBondContact O-N 2.89Å; A72-S74 PolarHBondContact O-N 3.33Å
73	A	98.6	Very high	98.4	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.008	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-27.8	-176	0	0	0	0	0	117.4	N53 L55 Y71 G86 S87 F93	N53-A73 HydrophobicContact CB-CB 4.11Å; N53-A73 PolarHBondContact O-N 2.82Å; L55-A73 WeakPolarHBondContact O-CA 3.42Å; L55-A73 PolarHBondContact O-N 3.05Å; Y71-A73 PolarHBondContact O-N 2.81Å; Y71-A73 VanDerWaalsContact O-N 3.16Å; A73-G86 CarbonylContact O-C 3.54Å; A73-G86 WeakPolarHBondContact O-CA 3.23Å; A73-S87 PolarHBondContact O-N 3.19Å; A73-F93 HydrophobicContact CB-CD1 3.69Å; A73-F93 HydrophobicContact CB-CE1 3.64Å
74	S	98.7	Very high	98.5	Very high	72 Å²	72	57.5 Å²	57.5	50%	0.503	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	-8.6	-170.2	61.8	0	0	0	0	115.9	Y71 A72 G86	Y71-S74 PolarHBondContact O-N 2.86Å; A72-S74 PolarHBondContact O-N 3.33Å; S74-G86 WeakPolarHBondContact CA-O 3.36Å; S74-G86 VanDerWaalsContact CB-O 3.28Å; S74-G86 WeakPolarHBondContact CB-O 3.38Å
75	S	98.8	Very high	98.5	Very high	44 Å²	44	54.9 Å²	54.9	31%	0.308	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.8	-178.2	-60.1	0	0	0	0	111.1	I70 Y71	I70-S75 CarbonylContact C-O 3.56Å; I70-S75 VanDerWaalsContact CA-O 3.22Å; I70-S75 WeakPolarHBondContact CA-O 3.3Å; I70-S75 WeakPolarHBondContact CG2-O 3.38Å; Y71-S75 VanDerWaalsContact CD1-O 3.3Å; Y71-S75 WeakPolarHBondContact CD1-O 3Å; Y71-S75 PolarHBondContact N-O 2.83Å; Y71-S75 WeakPolarHBondContact O-CB 3.5Å; Y71-S75 PolarHBondContact O-N 2.84Å
76	L	98.8	Very high	98.6	Very high	63 Å²	63	52 Å²	52	33%	0.33	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.9	177.8	-69.4	167	0	0	0	111	I70 V80 F84	I70-L76 HydrophobicContact CD1-CD2 4.09Å; I70-L76 HydrophobicContact CG1-CD2 3.57Å; I70-L76 HydrophobicContact CG1-CG 4.47Å; L76-V80 HydrophobicContact CB-CB 4.46Å; L76-V80 HydrophobicContact CD2-CB 4.24Å; L76-V80 HydrophobicContact CD2-CG1 3.66Å; L76-F84 HydrophobicContact CD2-CB 3.86Å; L76-F84 WeakPolarHBondContact CD2-O 3.28Å
77	Q	98.7	Very high	98.6	Very high	73 Å²	73	51.6 Å²	51.6	34%	0.341	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-64.4	148.7	166.2	176.2	60	-72.5	0	0	110	L68 L69 G79 V80	L68-Q77 HydrophobicContact CG-CB 4.3Å; L68-Q77 WeakPolarHBondContact O-CB 3.43Å; L69-Q77 PolarHBondContact O-N 3.39Å; Q77-G79 PolarHBondContact O-N 3.38Å; Q77-V80 HydrophobicContact CB-CG2 3.92Å; Q77-V80 VanDerWaalsContact O-CB 3.29Å; Q77-V80 WeakPolarHBondContact O-CB 3.01Å; Q77-V80 WeakPolarHBondContact O-CG2 3.39Å; Q77-V80 PolarHBondContact O-N 3.16Å
78	S	98.5	Very high	98.6	Very high	110 Å²	110	49.9 Å²	49.9	77%	0.769	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	131.2	176.1	-65.5	0	0	0	0	111.6	V80	S78-V80 VanDerWaalsContact C-N 3.3Å
79	G	98.1	Very high	98.6	Very high	86 Å²	86	51.6 Å²	51.6	89%	0.887	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-6.7	-178.9	0	0	0	0	0	115	Q77	Q77-G79 PolarHBondContact O-N 3.38Å
80	V	98.5	Very high	98.6	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.176	36%	0.355	C	S	.	.			trans	-74.9	129.1	174.8	178.3	0	0	0	0	110.1	L69 L76 Q77 S78 F84	L69-V80 HydrophobicContact CD1-CB 4.39Å; L69-V80 HydrophobicContact CD1-CG1 3.44Å; L69-V80 VanDerWaalsContact CD1-CG1 3.44Å; L69-V80 HydrophobicContact CD1-CG2 3.98Å; L69-V80 HydrophobicContact CG-CG1 4.14Å; L76-V80 HydrophobicContact CB-CB 4.46Å; L76-V80 HydrophobicContact CD2-CB 4.24Å; L76-V80 HydrophobicContact CD2-CG1 3.66Å; Q77-V80 HydrophobicContact CB-CG2 3.92Å; Q77-V80 VanDerWaalsContact O-CB 3.29Å; Q77-V80 WeakPolarHBondContact O-CB 3.01Å; Q77-V80 WeakPolarHBondContact O-CG2 3.39Å; Q77-V80 PolarHBondContact O-N 3.16Å; S78-V80 VanDerWaalsContact C-N 3.3Å; V80-F84 HydrophobicContact CG1-CB 3.92Å; V80-F84 HydrophobicContact CG1-CD2 3.78Å; V80-F84 HydrophobicContact CG1-CG 4.03Å
81	P	98.5	Very high	98.5	Very high	51 Å²	51	54.6 Å²	54.6	33%	0.331	37%	0.367	S	S	.	.			trans	-58.9	143.9	178.8	-28.1	36.9	0	0	0	113.7	R83 F84	P81-R83 HydrophobicContact CB-CG 3.85Å; P81-R83 PolarHBondContact O-N 3.4Å; P81-F84 HydrophobicContact CB-CD2 4.13Å; P81-F84 HydrophobicContact CB-CE2 4.36Å; P81-F84 HydrophobicContact CG-CD2 4.4Å; P81-F84 HydrophobicContact CG-CE2 4.27Å; P81-F84 WeakPolarHBondContact O-CD2 3.31Å; P81-F84 PolarHBondContact O-N 2.93Å
82	S	98.4	Very high	98.5	Very high	116 Å²	116	52.8 Å²	52.8	81%	0.811	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-8	179.3	58	0	0	0	0	114.9	F84	S82-F84 PolarHBondContact O-N 2.92Å
83	R	98.4	Very high	98.6	Very high	47 Å²	47	51.6 Å²	51.6	18%	0.177	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.6	169.7	61.2	168.6	-179.9	-86.5	4.5	112.7	P81 I97 S98 S99 E103 D104	P81-R83 HydrophobicContact CB-CG 3.85Å; P81-R83 PolarHBondContact O-N 3.4Å; R83-I97 HydrophobicContact CG-CG2 4.5Å; R83-I97 CarbonylContact O-C 3.56Å; R83-I97 WeakPolarHBondContact O-CA 3.45Å; R83-S98 WeakPolarHBondContact CA-OG 3.21Å; R83-S98 PolarHBondContact O-N 3.14Å; R83-S98 PolarHBondContact O-OG 3.45Å; R83-S99 WeakPolarHBondContact CD-O 3.22Å; R83-E103 IonicContact CZ-OE1 3.44Å; R83-E103 IonicContact NH1-OE1 3.29Å; R83-E103 IonicContact NH2-OE1 2.88Å; R83-E103 PolarHBondContact NH2-OE1 3.49Å; R83-D104 IonicContact CZ-OD1 3.99Å; R83-D104 IonicContact CZ-OD2 3.76Å; R83-D104 IonicContact NE-OD1 2.65Å; R83-D104 PolarHBondContact NE-OD1 3.49Å; R83-D104 IonicContact NE-OD2 3.57Å; R83-D104 PolarHBondContact NE-OD2 3.32Å; R83-D104 IonicContact NH2-OD1 3.5Å; R83-D104 PolarHBondContact NH2-OD1 3.37Å; R83-D104 IonicContact NH2-OD2 2.75Å
84	F	98.9	Very high	98.6	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.022	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.8	172.1	-65.9	-86.3	0	0	0	109.9	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 4.06Å; L69-F84 HydrophobicContact CD1-CD2 4.34Å; L69-F84 HydrophobicContact CD1-CE1 4.23Å; L69-F84 HydrophobicContact CD1-CG 4.11Å; L69-F84 HydrophobicContact CD1-CZ 4.46Å; L69-F84 HydrophobicContact CD2-CD1 3.74Å; L69-F84 HydrophobicContact CD2-CE1 4.11Å; L69-F84 HydrophobicContact CD2-CG 4.39Å; L69-F84 HydrophobicContact CG-CD1 4.32Å; L76-F84 HydrophobicContact CD2-CB 3.86Å; L76-F84 WeakPolarHBondContact CD2-O 3.28Å; V80-F84 HydrophobicContact CG1-CB 3.92Å; V80-F84 HydrophobicContact CG1-CD2 3.78Å; V80-F84 HydrophobicContact CG1-CG 4.03Å; P81-F84 HydrophobicContact CB-CD2 4.13Å; P81-F84 HydrophobicContact CB-CE2 4.36Å; P81-F84 HydrophobicContact CG-CD2 4.4Å; P81-F84 HydrophobicContact CG-CE2 4.27Å; P81-F84 WeakPolarHBondContact O-CD2 3.31Å; P81-F84 PolarHBondContact O-N 2.93Å; S82-F84 PolarHBondContact O-N 2.92Å; F84-L95 HydrophobicContact CD1-CD1 4.46Å; F84-T96 CarbonylContact C-O 3.55Å; F84-T96 WeakPolarHBondContact CA-O 3.46Å; F84-I97 HydrophobicContact CD1-CD1 4.29Å; F84-I97 HydrophobicContact CD1-CG1 3.79Å; F84-I97 HydrophobicContact CD1-CG2 4.47Å; F84-I97 HydrophobicContact CE1-CD1 3.66Å; F84-I97 HydrophobicContact CE1-CG1 3.67Å; F84-I97 HydrophobicContact CE1-CG2 4.24Å; F84-I97 HydrophobicContact CZ-CD1 4.45Å; F84-D104 HydrophobicContact CZ-CB 4.31Å; F84-D104 VanDerWaalsContact CZ-OD1 3.26Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.45Å; F84-Y108 HydrophobicContact CE1-CE1 4.01Å
85	S	98.8	Very high	98.6	Very high	55 Å²	55	49.8 Å²	49.8	39%	0.385	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146.1	169.5	59.6	0	0	0	0	111.5	T96	S85-T96 PolarHBondContact N-O 3.27Å; S85-T96 PolarHBondContact O-N 2.84Å
86	G	98.8	Very high	98.6	Very high	11 Å²	11	48 Å²	48	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.9	172.7	0	0	0	0	0	110.5	A73 S74 T94	A73-G86 CarbonylContact O-C 3.54Å; A73-G86 WeakPolarHBondContact O-CA 3.23Å; S74-G86 WeakPolarHBondContact CA-O 3.36Å; S74-G86 VanDerWaalsContact CB-O 3.28Å; S74-G86 WeakPolarHBondContact CB-O 3.38Å; G86-T94 CarbonylContact C-O 3.48Å; G86-T94 WeakPolarHBondContact CA-O 2.92Å
87	S	98.6	Very high	98.6	Very high	59 Å²	59	45.1 Å²	45.1	41%	0.413	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.9	171.7	68.3	0	0	0	0	111.1	A73 F93 T94	A73-S87 PolarHBondContact O-N 3.19Å; S87-F93 CarbonylContact O-C 3.44Å; S87-F93 VanDerWaalsContact O-CA 3.28Å; S87-F93 WeakPolarHBondContact O-CA 3.32Å; S87-T94 PolarHBondContact N-O 3.37Å; S87-T94 PolarHBondContact O-N 2.86Å
88	G	98.4	Very high	98.6	Very high	37 Å²	37	44.4 Å²	44.4	38%	0.381	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	117.8	166	176	0	0	0	0	0	114.1	D92	G88-D92 WeakPolarHBondContact CA-O 3.36Å
89	S	98.3	Very high	98.6	Very high	84 Å²	84	41.3 Å²	41.3	59%	0.587	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.9	166.3	174.4	64.9	0	0	0	0	109.6	S52 T91 D92	S52-S89 CarbonylContact O-C 3.56Å; S52-S89 WeakPolarHBondContact O-CA 3.34Å; S89-T91 PolarHBondContact O-N 3.12Å; S89-T91 VanDerWaalsContact O-N 3.09Å; S89-D92 PolarHBondContact N-O 3.24Å; S89-D92 PolarHBondContact O-N 2.83Å
90	G	98.3	Very high	98.6	Very high	26 Å²	26	38.3 Å²	38.3	27%	0.268	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-108.8	-177.7	0	0	0	0	0	110.2	I51 S52 F93	I51-G90 VanDerWaalsContact CG1-O 3.25Å; I51-G90 WeakPolarHBondContact CG1-O 3.36Å; I51-G90 PolarHBondContact N-O 3.23Å; S52-G90 PolarHBondContact O-N 2.81Å; G90-F93 WeakPolarHBondContact O-CE2 3.29Å
91	T	98.5	Very high	98.6	Very high	42 Å²	42	39.6 Å²	39.6	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-19.5	-175.8	46.3	0	0	0	0	114.1	R46 A47 S89	R46-T91 CarbonylContact C-O 3.54Å; R46-T91 VanDerWaalsContact CA-O 3.24Å; R46-T91 WeakPolarHBondContact CA-O 3.46Å; A47-T91 PolarHBondContact N-O 3.01Å; S89-T91 PolarHBondContact O-N 3.12Å; S89-T91 VanDerWaalsContact O-N 3.09Å
92	D	98.8	Very high	98.6	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.3	-163.5	-69.3	-78	0	0	0	111.4	R46 G88 S89	R46-D92 IonicContact CZ-OD1 3.61Å; R46-D92 IonicContact CZ-OD2 3.64Å; R46-D92 IonicContact NE-OD1 2.74Å; R46-D92 IonicContact NH1-OD1 3.08Å; R46-D92 PolarHBondContact NH1-OD1 2.84Å; R46-D92 IonicContact NH1-OD2 3.63Å; R46-D92 PolarHBondContact NH1-OD2 2.88Å; R46-D92 VanDerWaalsContact NH1-OD2 3.08Å; G88-D92 WeakPolarHBondContact CA-O 3.36Å; S89-D92 PolarHBondContact N-O 3.24Å; S89-D92 PolarHBondContact O-N 2.83Å
93	F	98.9	Very high	98.6	Very high	2 Å²	2	40 Å²	40	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.6	-174	-57.6	-90.2	0	0	0	111.7	T44 C45 I51 S52 L55 A73 S87 G90	T44-F93 CarbonylContact C-O 3.13Å; T44-F93 WeakPolarHBondContact CA-O 3.26Å; C45-F93 HydrophobicContact CB-CB 4.36Å; C45-F93 PolarHBondContact N-O 2.92Å; C45-F93 PolarHBondContact O-N 2.93Å; I51-F93 HydrophobicContact CD1-CD2 4.38Å; I51-F93 HydrophobicContact CD1-CE2 3.54Å; I51-F93 HydrophobicContact CD1-CZ 3.86Å; I51-F93 HydrophobicContact CG1-CE2 3.52Å; I51-F93 HydrophobicContact CG1-CZ 3.59Å; S52-F93 WeakPolarHBondContact O-CZ 3.32Å; L55-F93 HydrophobicContact CB-CD1 3.91Å; L55-F93 HydrophobicContact CB-CD2 4.37Å; L55-F93 HydrophobicContact CB-CE1 3.91Å; L55-F93 HydrophobicContact CB-CE2 4.4Å; L55-F93 HydrophobicContact CB-CG 4.15Å; L55-F93 HydrophobicContact CB-CZ 4.18Å; L55-F93 HydrophobicContact CD1-CD2 3.93Å; L55-F93 HydrophobicContact CD1-CE2 4.33Å; L55-F93 HydrophobicContact CD1-CG 4.19Å; L55-F93 HydrophobicContact CD2-CB 3.55Å; L55-F93 HydrophobicContact CD2-CD1 3.93Å; L55-F93 HydrophobicContact CD2-CD2 4.25Å; L55-F93 HydrophobicContact CD2-CG 3.65Å; L55-F93 HydrophobicContact CG-CD1 4.4Å; L55-F93 HydrophobicContact CG-CD2 4.4Å; L55-F93 HydrophobicContact CG-CG 4.19Å; A73-F93 HydrophobicContact CB-CD1 3.69Å; A73-F93 HydrophobicContact CB-CE1 3.64Å; S87-F93 CarbonylContact O-C 3.44Å; S87-F93 VanDerWaalsContact O-CA 3.28Å; S87-F93 WeakPolarHBondContact O-CA 3.32Å; G90-F93 WeakPolarHBondContact O-CE2 3.29Å
94	T	98.9	Very high	98.5	Very high	32 Å²	32	38 Å²	38	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134	-177.9	-59.3	0	0	0	0	110.5	T42 I43 G86 S87	T42-T94 HydrophobicContact CG2-CG2 3.27Å; I43-T94 CarbonylContact O-C 3.55Å; I43-T94 WeakPolarHBondContact O-CA 3.32Å; G86-T94 CarbonylContact C-O 3.48Å; G86-T94 WeakPolarHBondContact CA-O 2.92Å; S87-T94 PolarHBondContact N-O 3.37Å; S87-T94 PolarHBondContact O-N 2.86Å
95	L	98.9	Very high	98.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.6	161.7	173	63.3	0	0	0	108.4	T42 I43 W57 L69 I70 F84 Y108	T42-L95 CarbonylContact C-O 3.18Å; T42-L95 WeakPolarHBondContact CA-O 3.48Å; I43-L95 HydrophobicContact CB-CB 4.38Å; I43-L95 HydrophobicContact CD1-CD2 4.32Å; I43-L95 PolarHBondContact N-O 3.43Å; I43-L95 PolarHBondContact O-N 2.94Å; W57-L95 HydrophobicContact CD2-CB 3.65Å; W57-L95 HydrophobicContact CD2-CD2 4.1Å; W57-L95 HydrophobicContact CD2-CG 4.35Å; W57-L95 HydrophobicContact CE3-CB 3.87Å; W57-L95 HydrophobicContact CE3-CD2 3.8Å; W57-L95 HydrophobicContact CE3-CG 4.44Å; W57-L95 HydrophobicContact CG-CB 4.24Å; W57-L95 HydrophobicContact CG-CD1 4.43Å; W57-L95 HydrophobicContact CG-CD2 4.48Å; W57-L95 HydrophobicContact CH2-CB 3.86Å; W57-L95 HydrophobicContact CZ2-CB 3.66Å; W57-L95 HydrophobicContact CZ3-CB 3.96Å; W57-L95 HydrophobicContact CZ3-CD2 4.24Å; L69-L95 HydrophobicContact CD2-CD1 3.82Å; L69-L95 HydrophobicContact CD2-CD2 4.11Å; I70-L95 HydrophobicContact CD1-CD1 3.51Å; F84-L95 HydrophobicContact CD1-CD1 4.46Å; L95-Y108 HydrophobicContact CD2-CD1 3.55Å; L95-Y108 HydrophobicContact CD2-CE1 4.16Å; L95-Y108 HydrophobicContact CD2-CG 4.03Å
96	T	98.9	Very high	98.4	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.4	173.2	-65	0	0	0	0	109.8	R40 V41 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.21Å; R40-T96 VanDerWaalsContact NH2-CG2 3.3Å; R40-T96 PolarHBondContact NH2-OG1 2.85Å; V41-T96 CarbonylContact O-C 3.57Å; V41-T96 WeakPolarHBondContact O-CA 3.29Å; F84-T96 CarbonylContact C-O 3.55Å; F84-T96 WeakPolarHBondContact CA-O 3.46Å; S85-T96 PolarHBondContact N-O 3.27Å; S85-T96 PolarHBondContact O-N 2.84Å
97	I	98.8	Very high	98.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.7	162.3	-44.9	178.3	0	0	0	105.9	R40 V41 R83 F84 L100 D104 Y108	R40-I97 CarbonylContact C-O 3.54Å; R40-I97 VanDerWaalsContact CA-O 3.32Å; R40-I97 WeakPolarHBondContact CA-O 3.4Å; V41-I97 HydrophobicContact CB-CB 4.22Å; V41-I97 HydrophobicContact CB-CD1 4.44Å; V41-I97 HydrophobicContact CB-CG1 4.44Å; V41-I97 HydrophobicContact CG1-CD1 4.41Å; V41-I97 PolarHBondContact N-O 3.07Å; V41-I97 PolarHBondContact O-N 2.76Å; R83-I97 HydrophobicContact CG-CG2 4.5Å; R83-I97 CarbonylContact O-C 3.56Å; R83-I97 WeakPolarHBondContact O-CA 3.45Å; F84-I97 HydrophobicContact CD1-CD1 4.29Å; F84-I97 HydrophobicContact CD1-CG1 3.79Å; F84-I97 HydrophobicContact CD1-CG2 4.47Å; F84-I97 HydrophobicContact CE1-CD1 3.66Å; F84-I97 HydrophobicContact CE1-CG1 3.67Å; F84-I97 HydrophobicContact CE1-CG2 4.24Å; F84-I97 HydrophobicContact CZ-CD1 4.45Å; I97-L100 HydrophobicContact CD1-CD1 4.13Å; I97-L100 HydrophobicContact CG2-CD1 4.49Å; I97-D104 HydrophobicContact CD1-CB 4.47Å; I97-Y108 HydrophobicContact CD1-CE1 4.49Å; I97-Y108 HydrophobicContact CD1-CE2 4.39Å
98	S	98.7	Very high	98.4	Very high	59 Å²	59	42.7 Å²	42.7	41%	0.413	27%	0.269	S	S	.	.	S	Bend	trans	-74.1	-27.9	-171.5	63.5	0	0	0	0	113.8	R83	R83-S98 WeakPolarHBondContact CA-OG 3.21Å; R83-S98 PolarHBondContact O-N 3.14Å; R83-S98 PolarHBondContact O-OG 3.45Å
99	S	98.6	Very high	98.4	Very high	44 Å²	44	45.6 Å²	45.6	31%	0.308	27%	0.269	S	S	.	.	S	Bend	trans	-148.6	96	176.8	-175.5	0	0	0	0	109	R83 Q101	R83-S99 WeakPolarHBondContact CD-O 3.22Å; S99-Q101 PolarHBondContact O-N 3.21Å; S99-Q101 PolarHBondContact O-NE2 2.83Å; S99-Q101 PolarHBondContact OG-NE2 3.32Å
100	L	98.7	Very high	98.4	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.12	24%	0.243	C	C	.	.			trans	-58.5	131.9	-176.3	-175.2	70.7	0	0	0	111.7	A35 V37 G38 D39 V41 I97 D104	A35-L100 HydrophobicContact CB-CD2 3.83Å; V37-L100 WeakPolarHBondContact CA-O 3.28Å; G38-L100 PolarHBondContact N-O 3Å; D39-L100 WeakPolarHBondContact O-CB 3.48Å; D39-L100 PolarHBondContact O-N 3.17Å; V41-L100 HydrophobicContact CG2-CB 4.44Å; V41-L100 HydrophobicContact CG2-CD1 4.26Å; V41-L100 HydrophobicContact CG2-CD2 4.16Å; I97-L100 HydrophobicContact CD1-CD1 4.13Å; I97-L100 HydrophobicContact CG2-CD1 4.49Å; L100-D104 HydrophobicContact CD1-CB 3.69Å
101	Q	98.6	Very high	98.4	Very high	57 Å²	57	45 Å²	45	27%	0.266	25%	0.253	S	S	.	.			trans	-114.5	158.5	174.3	-58	-56.6	-47.5	0	0	111.7	S99 E103 D104	S99-Q101 PolarHBondContact O-N 3.21Å; S99-Q101 PolarHBondContact O-NE2 2.83Å; S99-Q101 PolarHBondContact OG-NE2 3.32Å; Q101-E103 HydrophobicContact CB-CG 4.42Å; Q101-E103 VanDerWaalsContact CB-OE1 3.31Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.24Å; Q101-E103 VanDerWaalsContact CB-OE2 3.24Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.34Å; Q101-E103 PolarHBondContact O-N 3.25Å; Q101-D104 PolarHBondContact N-OD2 2.9Å; Q101-D104 VanDerWaalsContact O-CB 3.29Å; Q101-D104 WeakPolarHBondContact O-CB 3.41Å; Q101-D104 PolarHBondContact O-N 3.34Å
102	P	97.8	Very high	98.3	Very high	85 Å²	85	43.8 Å²	43.8	55%	0.552	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-54.7	-34.6	178.8	-27	36	0	0	0	114.1	V37 D104 V105	V37-P102 HydrophobicContact CG2-CG 4.04Å; P102-D104 PolarHBondContact O-N 3.29Å; P102-V105 WeakPolarHBondContact O-CG2 3.25Å; P102-V105 PolarHBondContact O-N 3.06Å
103	E	97.3	Very high	98.1	Very high	90 Å²	90	44.8 Å²	44.8	42%	0.421	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-73.6	-6.3	178.8	69.8	-85.6	-167.4	0	0	114.9	K61 R83 Q101 V105	K61-E103 VanDerWaalsContact CE-O 3.23Å; K61-E103 WeakPolarHBondContact CE-O 3.37Å; K61-E103 PolarHBondContact NZ-O 3.08Å; R83-E103 IonicContact CZ-OE1 3.44Å; R83-E103 IonicContact NH1-OE1 3.29Å; R83-E103 IonicContact NH2-OE1 2.88Å; R83-E103 PolarHBondContact NH2-OE1 3.49Å; Q101-E103 HydrophobicContact CB-CG 4.42Å; Q101-E103 VanDerWaalsContact CB-OE1 3.31Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.24Å; Q101-E103 VanDerWaalsContact CB-OE2 3.24Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.34Å; Q101-E103 PolarHBondContact O-N 3.25Å; E103-V105 VanDerWaalsContact C-N 3.34Å
104	D	98.1	Very high	97.9	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-88.3	-2.8	179.6	-59.1	-25.7	0	0	0	112.5	R83 F84 I97 L100 Q101 P102 A106 Y108	R83-D104 IonicContact CZ-OD1 3.99Å; R83-D104 IonicContact CZ-OD2 3.76Å; R83-D104 IonicContact NE-OD1 2.65Å; R83-D104 PolarHBondContact NE-OD1 3.49Å; R83-D104 IonicContact NE-OD2 3.57Å; R83-D104 PolarHBondContact NE-OD2 3.32Å; R83-D104 IonicContact NH2-OD1 3.5Å; R83-D104 PolarHBondContact NH2-OD1 3.37Å; R83-D104 IonicContact NH2-OD2 2.75Å; F84-D104 HydrophobicContact CZ-CB 4.31Å; F84-D104 VanDerWaalsContact CZ-OD1 3.26Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.45Å; I97-D104 HydrophobicContact CD1-CB 4.47Å; L100-D104 HydrophobicContact CD1-CB 3.69Å; Q101-D104 PolarHBondContact N-OD2 2.9Å; Q101-D104 VanDerWaalsContact O-CB 3.29Å; Q101-D104 WeakPolarHBondContact O-CB 3.41Å; Q101-D104 PolarHBondContact O-N 3.34Å; P102-D104 PolarHBondContact O-N 3.29Å; D104-A106 PolarHBondContact O-N 3.3Å; D104-Y108 WeakPolarHBondContact O-CE2 3.32Å; D104-Y108 PolarHBondContact O-OH 3.09Å
105	V	97.2	Very high	97.5	Very high	105 Å²	105	52.4 Å²	52.4	64%	0.636	28%	0.283	S	S	*	.			trans	-66.8	103.9	174.2	179.4	0	0	0	0	109.3	P102 E103	P102-V105 WeakPolarHBondContact O-CG2 3.25Å; P102-V105 PolarHBondContact O-N 3.06Å; E103-V105 VanDerWaalsContact C-N 3.34Å
106	A	98.3	Very high	96.8	Very high	25 Å²	25	57.8 Å²	57.8	21%	0.207	32%	0.316	C	S	.	.	S	Bend	trans	-160.4	167.5	-173.7	0	0	0	0	0	110.3	Q59 Q60 K61 D104 Y108	Q59-A106 HydrophobicContact CG-CB 3.48Å; Q59-A106 VanDerWaalsContact CG-CB 3.48Å; Q60-A106 WeakPolarHBondContact O-CA 3.36Å; Q60-A106 WeakPolarHBondContact O-CB 3.43Å; K61-A106 HydrophobicContact CG-CB 4.23Å; D104-A106 PolarHBondContact O-N 3.3Å; A106-Y108 HydrophobicContact CB-CE2 4Å; A106-Y108 WeakPolarHBondContact O-CD2 3.14Å
107	T	98.4	Very high	95.4	Very high	74 Å²	74	63.8 Å²	63.8	45%	0.454	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.9	163.1	-50.8	0	0	0	0	109.1	Q60 Y109	Q60-T107 PolarHBondContact N-O 2.84Å; Q60-T107 PolarHBondContact O-N 2.86Å; T107-Y109 HydrophobicContact CG2-CE1 3.75Å; T107-Y109 HydrophobicContact CG2-CE2 3.81Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.21Å
108	Y	98.7	Very high	95.2	Very high	25 Å²	25	66.9 Å²	66.9	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.2	-180	-66.1	-93.6	0	0	0	110.4	Q28 I43 Y58 Q59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 2.65Å; I43-Y108 HydrophobicContact CD1-CD2 4.02Å; I43-Y108 HydrophobicContact CD1-CG 4.08Å; Y58-Y108 VanDerWaalsContact O-CA 3.32Å; Y58-Y108 WeakPolarHBondContact O-CA 3.28Å; Q59-Y108 HydrophobicContact CB-CD1 4.18Å; Q59-Y108 HydrophobicContact CB-CE1 3.97Å; Q59-Y108 HydrophobicContact CG-CD1 4.27Å; Q59-Y108 HydrophobicContact CG-CE1 3.74Å; Q59-Y108 PolarHBondContact NE2-OH 3.08Å; L69-Y108 HydrophobicContact CD2-CD1 4.11Å; L69-Y108 HydrophobicContact CD2-CE1 3.95Å; F84-Y108 HydrophobicContact CE1-CE1 4.01Å; L95-Y108 HydrophobicContact CD2-CD1 3.55Å; L95-Y108 HydrophobicContact CD2-CE1 4.16Å; L95-Y108 HydrophobicContact CD2-CG 4.03Å; I97-Y108 HydrophobicContact CD1-CE1 4.49Å; I97-Y108 HydrophobicContact CD1-CE2 4.39Å; D104-Y108 WeakPolarHBondContact O-CE2 3.32Å; D104-Y108 PolarHBondContact O-OH 3.09Å; A106-Y108 HydrophobicContact CB-CE2 4Å; A106-Y108 WeakPolarHBondContact O-CD2 3.14Å
109	Y	98.5	Very high	95	Very high	97 Å²	97	67.3 Å²	67.3	38%	0.38	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.2	-179.8	-53.9	-80.7	0	0	0	110.3	W57 Y58 Q60 T107	W57-Y109 CarbonylContact C-O 3.6Å; W57-Y109 WeakPolarHBondContact CA-O 3.41Å; Y58-Y109 PolarHBondContact N-O 2.02Å; Y58-Y109 PolarHBondContact O-N 3.47Å; Q60-Y109 HydrophobicContact CB-CD2 4.43Å; Q60-Y109 HydrophobicContact CB-CE2 3.76Å; Q60-Y109 VanDerWaalsContact OE1-CE2 3.24Å; Q60-Y109 PolarHBondContact OE1-OH 3.49Å; T107-Y109 HydrophobicContact CG2-CE1 3.75Å; T107-Y109 HydrophobicContact CG2-CE2 3.81Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.21Å
110	C	98.3	Very high	94.8	Very high	7 Å²	7	68.6 Å²	68.6	5%	0.047	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.1	162.2	69.7	0	0	0	0	109.7	Q28 C45 L55 S56 W57	Q28-C110 VanDerWaalsContact CD-SG 3.56Å; Q28-C110 HydrophobicContact CG-CB 4.35Å; Q28-C110 WeakPolarHBondContact CG-SG 3.33Å; Q28-C110 PolarHBondContact OE1-SG 2.88Å; C45-C110 HydrophobicContact CB-CB 3.46Å; C45-C110 VanDerWaalsContact CB-CB 3.46Å; C45-C110 WeakPolarHBondContact CB-SG 3.42Å; C45-C110 WeakPolarHBondContact SG-CB 3.21Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 3Å; L55-C110 HydrophobicContact CD1-CB 4.1Å; L55-C110 HydrophobicContact CD2-CB 4.16Å; L55-C110 HydrophobicContact CG-CB 4.35Å; S56-C110 CarbonylContact O-C 3.58Å; S56-C110 WeakPolarHBondContact O-CA 3.38Å; W57-C110 HydrophobicContact CD2-CB 4.16Å; W57-C110 HydrophobicContact CE3-CB 3.87Å; W57-C110 HydrophobicContact CH2-CB 3.98Å; W57-C110 HydrophobicContact CZ2-CB 4.23Å; W57-C110 HydrophobicContact CZ3-CB 3.78Å
111	L	97.5	Very high	94.6	Very high	90 Å²	90	71.2 Å²	71.2	47%	0.471	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.7	176.3	-179.5	67.4	0	0	0	108.3	L55 S56 Y58	L55-L111 WeakPolarHBondContact CA-O 3.4Å; S56-L111 PolarHBondContact N-O 3.48Å; S56-L111 PolarHBondContact O-N 2.87Å; Y58-L111 HydrophobicContact CD2-CB 4.3Å; Y58-L111 HydrophobicContact CE2-CB 3.93Å; Y58-L111 HydrophobicContact CE2-CD2 4.02Å
112	Q	96.6	Very high	94.3	Very high	18 Å²	18	72.1 Å²	72.1	8%	0.084	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.9	169	75.6	82.8	25.3	0	0	109.5	I24 V26 I51 G54 T115	I24-Q112 HydrophobicContact CB-CG 3.92Å; I24-Q112 HydrophobicContact CG2-CG 3.91Å; V26-Q112 HydrophobicContact CG1-CB 4.11Å; V26-Q112 HydrophobicContact CG1-CG 4.36Å; I51-Q112 HydrophobicContact CD1-CB 3.65Å; I51-Q112 HydrophobicContact CG2-CB 4.37Å; G54-Q112 CarbonylContact O-C 3.51Å; G54-Q112 VanDerWaalsContact O-CA 3.29Å; G54-Q112 WeakPolarHBondContact O-CA 3.38Å; Q112-T115 PolarHBondContact NE2-O 3.41Å
113	D	94.5	Very high	94.1	Very high	92 Å²	92	71.3 Å²	71.3	49%	0.492	39%	0.386	S	S	.	.			trans	-122.1	16.9	175.1	58.8	14.5	0	0	0	112.2	G54 S56	G54-D113 WeakPolarHBondContact CA-OD1 3.42Å; G54-D113 PolarHBondContact O-N 3.05Å; S56-D113 PolarHBondContact OG-OD2 3.01Å
114	Y	95	Very high	93.9	Very high	129 Å²	129	69.9 Å²	69.9	51%	0.506	38%	0.383	S	S	.	.	S	Bend	trans	-70.6	-36.2	-178.2	178.6	-101.9	0	0	0	113.2	I24 I51	I24-Y114 HydrophobicContact CD1-CD1 3.99Å; I51-Y114 HydrophobicContact CB-CD1 4.37Å; I51-Y114 HydrophobicContact CB-CD2 4.41Å; I51-Y114 HydrophobicContact CB-CG 3.89Å; I51-Y114 HydrophobicContact CG2-CD1 4.09Å; I51-Y114 HydrophobicContact CG2-CG 4.05Å; I51-Y114 VanDerWaalsContact O-CD2 3.32Å; I51-Y114 WeakPolarHBondContact O-CD2 3.5Å
115	T	90.4	Very high	93.6	Very high	64 Å²	64	74.9 Å²	74.9	39%	0.393	41%	0.411	S	S	.	.			trans	-143.2	156.6	173.5	-170	0	0	0	0	110.4	I24 Q112	I24-T115 HydrophobicContact CD1-CG2 3.45Å; I24-T115 VanDerWaalsContact CD1-CG2 3.45Å; I24-T115 HydrophobicContact CG1-CG2 3.78Å; Q112-T115 PolarHBondContact NE2-O 3.41Å
116	T	83.7	Confident	93.3	Very high	116 Å²	116	72.4 Å²	72.4	71%	0.712	39%	0.392	S	S	*	.			trans	-84.8	154	163	49.5	0	0	0	0	109.9
117	P	69.2	Low	92.8	Very high	132 Å²	132	76.7 Å²	76.7	86%	0.857	41%	0.409	S	S	*	.			trans	-55.5	0	172.7	-23	31.8	0	0	0	113.7	D23	D23-P117 HydrophobicContact CB-CB 4.13Å; D23-P117 HydrophobicContact CB-CG 4.28Å

Retrieved 117 of 117 residues in 74 ms (Link to these results)

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