A0A075B656_MOUSE Loading...

T cell receptor alpha variable 18

AlphaFold DB , UniProt , Accession A0A075B656, Species MOUSE (Mus musculus, Mouse), Gene Trav18, Length 109 aa.

						>A0A075B656_MOUSE|A0A075B656|Trav18
MLLKLSVLLLWNQVARVATQRLEQSPRFLSIQEGQDFTARCSSSTTFPQLYWYRQVPREGPVILVTLVKSGEVKEQRRMTAKFGEARKNSSLFIARAQPGDAGIYFCTG
					

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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	52.1	Low	54.6	Low	237 Å²	237	164.7 Å²	164.7	100%	1.167	83%	0.832	S	S	*	*				0	53.7	0	-157.3	165.9	90.5	0	0	110.7
2	L	52.1	Low	54.8	Low	157 Å²	157	162 Å²	162	82%	0.822	82%	0.821	S	S	*	*			trans	-137.3	11.1	-173.2	-78.2	162.4	0	0	0	113.3
3	L	51.8	Low	55.4	Low	159 Å²	159	164.1 Å²	164.1	83%	0.832	83%	0.826	S	S	*	*	S	Bend	trans	-100.3	7.8	-178.4	-137.3	85.3	0	0	0	113.7
4	K	54	Low	56	Low	193 Å²	193	161.5 Å²	161.5	84%	0.839	82%	0.823	S	S	*	*	S	Bend	trans	-113.4	-1.7	-173.8	-70.5	-164.3	176.3	-172.7	0	115.2
5	L	49.2	Very low	56.5	Low	141 Å²	141	155.8 Å²	155.8	74%	0.738	81%	0.81	S	S	*	*	S	Bend	trans	-92.6	-12.9	175.9	-91.6	94.9	0	0	0	114.2	V7	L5-V7 PolarHBondContact O-N 3.32Å
6	S	53.9	Low	56.7	Low	86 Å²	86	161.4 Å²	161.4	60%	0.601	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-8.2	-171.3	0.1	0	0	0	0	115.2
7	V	55.5	Low	56.9	Low	125 Å²	125	158.9 Å²	158.9	76%	0.758	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-6.2	-174.5	-175.1	0	0	0	0	113	L5	L5-V7 PolarHBondContact O-N 3.32Å
8	L	55.1	Low	57.2	Low	150 Å²	150	155.6 Å²	155.6	79%	0.785	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	3.1	-175.2	-72.7	164.9	0	0	0	115.2
9	L	58.4	Low	57.6	Low	160 Å²	160	153.5 Å²	153.5	84%	0.838	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	11.6	-177.5	-70.6	170.9	0	0	0	114.9
10	L	59	Low	58.4	Low	165 Å²	165	150.1 Å²	150.1	86%	0.864	79%	0.786	S	S	*	*	S	Bend	trans	-122.5	49.8	178.7	-91.2	151	0	0	0	111.3
11	W	59.7	Low	59.7	Low	239 Å²	239	151 Å²	151	91%	0.905	78%	0.779	S	S	*	*	S	Bend	trans	-150	51.9	172.1	-144.6	-48.5	0	0	0	113.7
12	N	57	Low	61.6	Low	132 Å²	132	143 Å²	143	71%	0.706	74%	0.74	S	S	*	*			trans	-167.5	65.3	152.2	-128.8	-0.3	0	0	0	113.6
13	Q	62.5	Low	63.7	Low	189 Å²	189	138.6 Å²	138.6	88%	0.883	72%	0.716	S	S	*	*			trans	-129.3	55.9	160.6	-55.9	-60.3	-14.1	0	0	109.2	A15	Q13-A15 PolarHBondContact O-N 2.66Å
14	V	63.7	Low	65.9	Low	128 Å²	128	134 Å²	134	78%	0.776	69%	0.69	S	S	*	*			trans	-71.9	88.3	156.4	-175.7	0	0	0	0	105.2	R16	V14-R16 PolarHBondContact O-N 2.66Å
15	A	64.2	Low	67.9	Low	76 Å²	76	127.5 Å²	127.5	63%	0.628	67%	0.669	S	S	*	*			trans	-53.1	118.6	169	0	0	0	0	0	107	Q13 V17	Q13-A15 PolarHBondContact O-N 2.66Å; A15-V17 VanDerWaalsContact C-N 3.27Å; A15-V17 PolarHBondContact O-N 3.13Å
16	R	59.6	Low	70.3	Confident	245 Å²	245	123.6 Å²	123.6	93%	0.925	65%	0.652	S	S	*	*			trans	-63.5	97	169.1	-81.5	-176.4	174.6	176.3	-1	106.5	V14 A18	V14-R16 PolarHBondContact O-N 2.66Å; R16-A18 PolarHBondContact O-N 3.2Å
17	V	59.5	Low	72.3	Confident	120 Å²	120	129.1 Å²	129.1	73%	0.727	66%	0.66	S	S	*	*			trans	-64.8	105.9	163.6	179.3	0	0	0	0	105	A15 T19	A15-V17 VanDerWaalsContact C-N 3.27Å; A15-V17 PolarHBondContact O-N 3.13Å; V17-T19 PolarHBondContact O-N 2.9Å
18	A	62.3	Low	74.2	Confident	98 Å²	98	132.3 Å²	132.3	81%	0.81	66%	0.664	S	S	*	*			trans	-65.3	92.9	168.2	0	0	0	0	0	106.7	R16 Q20	R16-A18 PolarHBondContact O-N 3.2Å; A18-Q20 PolarHBondContact O-N 3.15Å; A18-Q20 VanDerWaalsContact O-N 3.1Å
19	T	64.8	Low	76.2	Confident	117 Å²	117	129.7 Å²	129.7	72%	0.718	65%	0.65	S	S	*	*			trans	-60.6	116.8	174.8	44.3	0	0	0	0	107.7	V17 R21	V17-T19 PolarHBondContact O-N 2.9Å; T19-R21 PolarHBondContact O-N 3.12Å
20	Q	72.9	Confident	78	Confident	85 Å²	85	127.5 Å²	127.5	40%	0.397	65%	0.648	S	S	.	*			trans	-55.3	114.3	171.4	176.6	170.2	3	0	0	108.4	A18 L22 S43 T45	A18-Q20 PolarHBondContact O-N 3.15Å; A18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-L22 PolarHBondContact O-N 2.86Å; Q20-S43 WeakPolarHBondContact CG-OG 3.5Å; Q20-S43 PolarHBondContact NE2-OG 3.05Å; Q20-T45 VanDerWaalsContact CG-OG1 3.24Å; Q20-T45 WeakPolarHBondContact CG-OG1 3.43Å; Q20-T45 PolarHBondContact NE2-OG1 2.84Å
21	R	86.6	Confident	79.8	Confident	168 Å²	168	122.1 Å²	122.1	63%	0.634	62%	0.62	S	S	*	*			trans	-81.7	118	177.7	-172.1	171.1	176.3	169.7	-1.8	107.7	T19 E23 S43 S44	T19-R21 PolarHBondContact O-N 3.12Å; R21-E23 HydrophobicContact CG-CG 4.5Å; R21-E23 IonicContact CZ-OE1 3.21Å; R21-E23 IonicContact NE-OE1 2.75Å; R21-E23 PolarHBondContact NE-OE1 2.82Å; R21-E23 IonicContact NH2-OE1 2.8Å; R21-E23 PolarHBondContact NH2-OE1 3.37Å; R21-S43 VanDerWaalsContact O-CA 3.22Å; R21-S43 WeakPolarHBondContact O-CA 3.41Å; R21-S43 PolarHBondContact O-OG 2.99Å; R21-S43 VanDerWaalsContact O-OG 3.14Å; R21-S44 PolarHBondContact N-OG 2.8Å; R21-S44 VanDerWaalsContact N-OG 3.16Å; R21-S44 PolarHBondContact O-N 3.33Å; R21-S44 VanDerWaalsContact O-N 3.11Å
22	L	92.3	Very high	81.6	Confident	69 Å²	69	117.6 Å²	117.6	36%	0.361	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	125.5	176.1	-170.4	75	0	0	0	108.6	Q20 S42 F47	Q20-L22 PolarHBondContact O-N 2.86Å; L22-S42 WeakPolarHBondContact CA-O 3.43Å; L22-F47 HydrophobicContact CD1-CE1 3.83Å; L22-F47 HydrophobicContact CD1-CZ 3.42Å; L22-F47 VanDerWaalsContact CD1-CZ 3.42Å
23	E	95.9	Very high	83.6	Confident	66 Å²	66	117.9 Å²	117.9	31%	0.308	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	176.7	-66.4	-72.1	171	0	0	109.1	R21 C41 S42	R21-E23 HydrophobicContact CG-CG 4.5Å; R21-E23 IonicContact CZ-OE1 3.21Å; R21-E23 IonicContact NE-OE1 2.75Å; R21-E23 PolarHBondContact NE-OE1 2.82Å; R21-E23 IonicContact NH2-OE1 2.8Å; R21-E23 PolarHBondContact NH2-OE1 3.37Å; E23-C41 CarbonylContact O-C 3.59Å; E23-C41 WeakPolarHBondContact O-CA 3.32Å; E23-S42 PolarHBondContact N-O 3.28Å; E23-S42 PolarHBondContact O-N 2.73Å
24	Q	97.4	Very high	85.2	Confident	63 Å²	63	110.9 Å²	110.9	29%	0.294	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.1	143.6	178.1	-58	-163.2	127.7	0	0	111.6	R40 F106 C107	Q24-R40 CarbonylContact C-O 3.55Å; Q24-R40 VanDerWaalsContact CA-O 3.25Å; Q24-R40 WeakPolarHBondContact CA-O 3.46Å; Q24-F106 VanDerWaalsContact OE1-CA 3.27Å; Q24-C107 PolarHBondContact OE1-SG 3Å
25	S	97.4	Very high	86.9	Confident	55 Å²	55	109.4 Å²	109.4	39%	0.385	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.9	149.5	174.9	59.8	0	0	0	0	112.5	A39 R40	S25-A39 CarbonylContact O-C 3.59Å; S25-A39 WeakPolarHBondContact O-CA 3.29Å; S25-R40 PolarHBondContact N-O 3.43Å; S25-R40 PolarHBondContact O-N 2.61Å
26	P	97.8	Very high	88.5	Confident	59 Å²	59	110 Å²	110	38%	0.383	56%	0.562	S	S	.	*			cis	-69.3	158	-13.4	32.3	-36.1	0	0	0	111.7	L29	P26-L29 HydrophobicContact CG-CB 3.81Å; P26-L29 HydrophobicContact CG-CD1 4.27Å; P26-L29 HydrophobicContact CG-CD2 4.16Å; P26-L29 HydrophobicContact CG-CG 4.3Å
27	R	96.1	Very high	90.3	Very high	203 Å²	203	99.6 Å²	99.6	77%	0.766	52%	0.523	S	S	*	.	S	Bend	trans	-74.6	-36.1	174.8	-69.1	-173.7	179.1	-180	-0.6	112.3
28	F	96	Very high	92.2	Very high	192 Å²	192	95.6 Å²	95.6	84%	0.842	50%	0.499	S	S	*	.	S	Bend	trans	-137.5	140.6	175.3	-61.7	-78.3	0	0	0	108.1
29	L	96.6	Very high	93.9	Very high	95 Å²	95	91.4 Å²	91.4	50%	0.497	46%	0.464	S	S	.	.			trans	-143.8	130.6	179.9	-176.5	64.6	0	0	0	109.2	P26 I31 F37	P26-L29 HydrophobicContact CG-CB 3.81Å; P26-L29 HydrophobicContact CG-CD1 4.27Å; P26-L29 HydrophobicContact CG-CD2 4.16Å; P26-L29 HydrophobicContact CG-CG 4.3Å; L29-I31 HydrophobicContact CD1-CG2 3.73Å; L29-I31 HydrophobicContact CD2-CD1 4.47Å; L29-I31 HydrophobicContact CD2-CG2 4.16Å; L29-I31 HydrophobicContact CG-CG2 3.84Å; L29-F37 HydrophobicContact CD2-CB 3.49Å; L29-F37 VanDerWaalsContact CD2-CB 3.49Å; L29-F37 HydrophobicContact CD2-CD2 3.84Å; L29-F37 HydrophobicContact CD2-CG 3.79Å
30	S	97	Very high	95.5	Very high	114 Å²	114	92.3 Å²	92.3	80%	0.797	46%	0.455	S	S	*	.			trans	-126.4	120	169.6	-176	0	0	0	0	107.2
31	I	97	Very high	96.7	Very high	52 Å²	52	88.4 Å²	88.4	27%	0.267	44%	0.437	S	S	.	.			trans	-134.3	158.8	-178.6	57.4	175.1	0	0	0	109	L29 Q35 F37 A97	L29-I31 HydrophobicContact CD1-CG2 3.73Å; L29-I31 HydrophobicContact CD2-CD1 4.47Å; L29-I31 HydrophobicContact CD2-CG2 4.16Å; L29-I31 HydrophobicContact CG-CG2 3.84Å; I31-Q35 HydrophobicContact CB-CB 4.23Å; I31-F37 HydrophobicContact CD1-CB 3.96Å; I31-F37 HydrophobicContact CD1-CD1 3.6Å; I31-F37 HydrophobicContact CD1-CE1 4.42Å; I31-F37 HydrophobicContact CD1-CG 4.1Å; I31-A97 HydrophobicContact CD1-CB 3.65Å
32	Q	97.6	Very high	97.2	Very high	143 Å²	143	83 Å²	83	67%	0.668	42%	0.424	S	S	*	.			trans	-80.6	156.3	173.3	-62	-60.3	-40	0	0	111	Q35	Q32-Q35 HydrophobicContact CB-CG 4.17Å; Q32-Q35 WeakPolarHBondContact O-CB 3.43Å; Q32-Q35 PolarHBondContact O-N 2.78Å
33	E	97.6	Very high	97.3	Very high	139 Å²	139	80.3 Å²	80.3	65%	0.65	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	141.1	170.4	-176.8	172.4	-175.7	0	0	110.5	Q35 A97	E33-Q35 PolarHBondContact O-N 2.96Å; E33-A97 WeakPolarHBondContact CA-O 3.31Å; E33-A97 WeakPolarHBondContact CG-O 3.43Å
34	G	97.9	Very high	97.2	Very high	42 Å²	42	80.3 Å²	80.3	43%	0.433	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-10.2	-177.8	0	0	0	0	0	114.7	A97	G34-A97 PolarHBondContact N-O 2.86Å
35	Q	98.4	Very high	97	Very high	97 Å²	97	80.3 Å²	80.3	45%	0.453	42%	0.423	S	S	.	.			trans	-77.5	151.9	171.9	-62.6	-166.1	-65.6	0	0	111.8	I31 Q32 E33 A97	I31-Q35 HydrophobicContact CB-CB 4.23Å; Q32-Q35 HydrophobicContact CB-CG 4.17Å; Q32-Q35 WeakPolarHBondContact O-CB 3.43Å; Q32-Q35 PolarHBondContact O-N 2.78Å; E33-Q35 PolarHBondContact O-N 2.96Å; Q35-A97 WeakPolarHBondContact O-CB 3.14Å; Q35-A97 PolarHBondContact O-N 2.85Å
36	D	98.4	Very high	96.9	Very high	89 Å²	89	81.6 Å²	81.6	48%	0.476	43%	0.428	S	S	.	.			trans	-89.9	152.7	174.7	-60.6	-15.9	0	0	0	110.7	F93 I94 A95 R96	D36-F93 HydrophobicContact CB-CE2 3.69Å; D36-F93 HydrophobicContact CB-CZ 3.97Å; D36-I94 WeakPolarHBondContact CA-O 3.46Å; D36-A95 VanDerWaalsContact OD1-CA 3.24Å; D36-A95 WeakPolarHBondContact OD1-CA 3.35Å; D36-R96 PolarHBondContact OD1-N 2.79Å
37	F	97.6	Very high	96.7	Very high	26 Å²	26	78.9 Å²	78.9	11%	0.114	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.4	167.8	75.2	-84.7	0	0	0	113.8	L29 I31 F93 I94 A97 Y105	L29-F37 HydrophobicContact CD2-CB 3.49Å; L29-F37 VanDerWaalsContact CD2-CB 3.49Å; L29-F37 HydrophobicContact CD2-CD2 3.84Å; L29-F37 HydrophobicContact CD2-CG 3.79Å; I31-F37 HydrophobicContact CD1-CB 3.96Å; I31-F37 HydrophobicContact CD1-CD1 3.6Å; I31-F37 HydrophobicContact CD1-CE1 4.42Å; I31-F37 HydrophobicContact CD1-CG 4.1Å; F37-F93 WeakPolarHBondContact O-CA 3.44Å; F37-F93 WeakPolarHBondContact O-CD2 3.13Å; F37-I94 HydrophobicContact CD1-CB 3.94Å; F37-I94 HydrophobicContact CD1-CG2 4.48Å; F37-I94 HydrophobicContact CE1-CB 3.54Å; F37-I94 HydrophobicContact CE1-CD1 3.87Å; F37-I94 HydrophobicContact CE1-CG1 4.05Å; F37-I94 HydrophobicContact CE1-CG2 3.89Å; F37-I94 HydrophobicContact CE2-CD1 4.08Å; F37-I94 HydrophobicContact CE2-CG1 4.35Å; F37-I94 HydrophobicContact CZ-CB 3.89Å; F37-I94 HydrophobicContact CZ-CD1 3.37Å; F37-I94 HydrophobicContact CZ-CG1 3.85Å; F37-I94 HydrophobicContact CZ-CG2 4.49Å; F37-I94 PolarHBondContact N-O 3.49Å; F37-I94 PolarHBondContact O-N 3.33Å; F37-A97 HydrophobicContact CD1-CB 4.32Å; F37-A97 HydrophobicContact CE1-CB 4.42Å; F37-Y105 HydrophobicContact CE2-CD2 4.46Å; F37-Y105 HydrophobicContact CE2-CE2 4.35Å; F37-Y105 HydrophobicContact CZ-CD2 4.44Å; F37-Y105 HydrophobicContact CZ-CE1 4.25Å; F37-Y105 AromaticContact CZ-CE2 3.88Å; F37-Y105 HydrophobicContact CZ-CE2 3.88Å; F37-Y105 AromaticContact CZ-CZ 3.77Å
38	T	98.5	Very high	96.7	Very high	35 Å²	35	73.6 Å²	73.6	22%	0.215	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.8	175.6	-53.3	0	0	0	0	110.4	R40 L92	T38-R40 HydrophobicContact CG2-CG 4.04Å; T38-L92 CarbonylContact C-O 3.58Å; T38-L92 VanDerWaalsContact CA-O 3.31Å; T38-L92 WeakPolarHBondContact CA-O 3.25Å
39	A	98.4	Very high	96.7	Very high	11 Å²	11	67.8 Å²	67.8	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.4	163.6	0	0	0	0	0	109.4	S25 W52 S91 L92	S25-A39 CarbonylContact O-C 3.59Å; S25-A39 WeakPolarHBondContact O-CA 3.29Å; A39-W52 HydrophobicContact CB-CH2 3.64Å; A39-W52 HydrophobicContact CB-CZ3 3.67Å; A39-S91 CarbonylContact O-C 3.45Å; A39-S91 VanDerWaalsContact O-CA 3.28Å; A39-S91 WeakPolarHBondContact O-CA 3.33Å; A39-L92 HydrophobicContact CB-CB 4.49Å; A39-L92 PolarHBondContact N-O 3.11Å; A39-L92 PolarHBondContact O-N 3.41Å
40	R	98.5	Very high	96.7	Very high	136 Å²	136	63.2 Å²	63.2	51%	0.513	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.6	178.8	-62.6	-177.4	-176.9	80.7	-0.6	109.8	Q24 S25 T38 S90	Q24-R40 CarbonylContact C-O 3.55Å; Q24-R40 VanDerWaalsContact CA-O 3.25Å; Q24-R40 WeakPolarHBondContact CA-O 3.46Å; S25-R40 PolarHBondContact N-O 3.43Å; S25-R40 PolarHBondContact O-N 2.61Å; T38-R40 HydrophobicContact CG2-CG 4.04Å; R40-S90 WeakPolarHBondContact CA-O 2.94Å
41	C	97.6	Very high	96.7	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.1	-177.6	170.7	0	0	0	0	108	E23 W52 N89 S90 C107	E23-C41 CarbonylContact O-C 3.59Å; E23-C41 WeakPolarHBondContact O-CA 3.32Å; C41-W52 HydrophobicContact CB-CH2 3.89Å; C41-W52 HydrophobicContact CB-CZ2 3.76Å; C41-N89 CarbonylContact O-C 3.55Å; C41-N89 WeakPolarHBondContact O-CA 3.45Å; C41-N89 WeakPolarHBondContact O-CB 3.19Å; C41-S90 PolarHBondContact N-O 3.46Å; C41-S90 PolarHBondContact O-N 3.19Å; C41-C107 HydrophobicContact CB-CB 3.58Å; C41-C107 WeakPolarHBondContact CB-SG 3.41Å; C41-C107 WeakPolarHBondContact SG-CB 3.38Å; C41-C107 CovalentContact SG-SG 2.01Å; C41-C107 PolarHBondContact SG-SG 2.95Å
42	S	97.1	Very high	96.8	Very high	54 Å²	54	58 Å²	58	38%	0.378	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.8	172.1	63.7	0	0	0	0	111.3	L22 E23 K88	L22-S42 WeakPolarHBondContact CA-O 3.43Å; E23-S42 PolarHBondContact N-O 3.28Å; E23-S42 PolarHBondContact O-N 2.73Å; S42-K88 CarbonylContact C-O 3.58Å; S42-K88 VanDerWaalsContact CA-O 3.25Å; S42-K88 WeakPolarHBondContact CA-O 3.36Å
43	S	95.1	Very high	96.8	Very high	13 Å²	13	53.3 Å²	53.3	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.8	178.8	-172.5	0	0	0	0	112.6	Q20 R21 T45 K88	Q20-S43 WeakPolarHBondContact CG-OG 3.5Å; Q20-S43 PolarHBondContact NE2-OG 3.05Å; R21-S43 VanDerWaalsContact O-CA 3.22Å; R21-S43 WeakPolarHBondContact O-CA 3.41Å; R21-S43 PolarHBondContact O-OG 2.99Å; R21-S43 VanDerWaalsContact O-OG 3.14Å; S43-T45 WeakPolarHBondContact CB-O 3.38Å; S43-T45 PolarHBondContact O-N 2.86Å; S43-T45 PolarHBondContact OG-N 2.82Å; S43-T45 PolarHBondContact OG-O 3.46Å; S43-K88 PolarHBondContact N-O 3.41Å
44	S	94.1	Very high	96.8	Very high	65 Å²	65	49 Å²	49	46%	0.455	27%	0.269	S	S	.	.	S	Bend	trans	-62.4	-31.1	171.7	53.6	0	0	0	0	112.5	R21 K88	R21-S44 PolarHBondContact N-OG 2.8Å; R21-S44 VanDerWaalsContact N-OG 3.16Å; R21-S44 PolarHBondContact O-N 3.33Å; R21-S44 VanDerWaalsContact O-N 3.11Å; S44-K88 PolarHBondContact O-NZ 3.14Å
45	T	92.9	Very high	96.8	Very high	64 Å²	64	50 Å²	50	39%	0.393	26%	0.262	S	S	.	.	S	Bend	trans	-114.6	167.7	-179.7	55.6	0	0	0	0	111.4	Q20 S43	Q20-T45 VanDerWaalsContact CG-OG1 3.24Å; Q20-T45 WeakPolarHBondContact CG-OG1 3.43Å; Q20-T45 PolarHBondContact NE2-OG1 2.84Å; S43-T45 WeakPolarHBondContact CB-O 3.38Å; S43-T45 PolarHBondContact O-N 2.86Å; S43-T45 PolarHBondContact OG-N 2.82Å; S43-T45 PolarHBondContact OG-O 3.46Å
46	T	94.8	Very high	96.6	Very high	81 Å²	81	47.3 Å²	47.3	50%	0.497	25%	0.252	S	S	.	.			trans	-78.2	142.4	177.8	54.4	0	0	0	0	111.1	A86 R87 K88	T46-A86 WeakPolarHBondContact CG2-O 3.4Å; T46-R87 CarbonylContact C-O 3.47Å; T46-R87 WeakPolarHBondContact CA-O 3.5Å; T46-K88 HydrophobicContact CG2-CG 3.93Å
47	F	94.4	Very high	96.3	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.013	26%	0.256	C	S	.	.			trans	-86.9	132.1	168.7	-56	-74.5	0	0	0	110.5	L22 Q49 L50 F83 R87 G109	L22-F47 HydrophobicContact CD1-CE1 3.83Å; L22-F47 HydrophobicContact CD1-CZ 3.42Å; L22-F47 VanDerWaalsContact CD1-CZ 3.42Å; F47-Q49 VanDerWaalsContact C-N 3.28Å; F47-L50 HydrophobicContact CD2-CD1 3.69Å; F47-L50 HydrophobicContact CE2-CD1 3.69Å; F47-L50 HydrophobicContact CG-CD1 4.23Å; F47-L50 HydrophobicContact CZ-CD1 4.2Å; F47-F83 HydrophobicContact CB-CE2 4.19Å; F47-F83 HydrophobicContact CB-CZ 3.9Å; F47-F83 HydrophobicContact CD2-CE2 4.14Å; F47-R87 VanDerWaalsContact CD2-O 3.23Å; F47-R87 WeakPolarHBondContact CD2-O 3.47Å; F47-R87 PolarHBondContact N-O 3.17Å; F47-G109 VanDerWaalsContact CD1-CA 3.41Å
48	P	94.4	Very high	96.1	Very high	92 Å²	92	57.9 Å²	57.9	60%	0.597	30%	0.296	S	S	*	.	S	Bend	trans	-60.1	-40.6	167.8	23.4	-34	0	0	0	111.8	R87 G109	P48-R87 PolarHBondContact O-NH1 2.84Å; P48-G109 WeakPolarHBondContact CD-OXT 3.33Å; P48-G109 VanDerWaalsContact CG-OXT 3.23Å; P48-G109 WeakPolarHBondContact CG-OXT 3.46Å
49	Q	96	Very high	95.9	Very high	69 Å²	69	61.7 Å²	61.7	32%	0.322	31%	0.311	S	S	.	.	S	Bend	trans	-152.4	160.3	172.9	62.1	-164.9	-4.6	0	0	107.7	F47 Y51 L67 V68 G109	F47-Q49 VanDerWaalsContact C-N 3.28Å; Q49-Y51 VanDerWaalsContact CD-OH 3.23Å; Q49-Y51 HydrophobicContact CG-CE2 3.73Å; Q49-Y51 PolarHBondContact NE2-OH 2.83Å; Q49-L67 CarbonylContact C-O 3.6Å; Q49-L67 VanDerWaalsContact CA-O 3.28Å; Q49-L67 WeakPolarHBondContact CA-O 3.24Å; Q49-L67 WeakPolarHBondContact CB-O 3.48Å; Q49-V68 HydrophobicContact CB-CG2 4.39Å; Q49-G109 CarbonylContact O-C 3.43Å; Q49-G109 WeakPolarHBondContact O-CA 3.28Å; Q49-G109 VanDerWaalsContact O-OXT 3.13Å
50	L	97.5	Very high	95.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.3	-179.3	-174	144	0	0	0	111	F47 W52 T66 L67 F83 S90 C107 T108	F47-L50 HydrophobicContact CD2-CD1 3.69Å; F47-L50 HydrophobicContact CE2-CD1 3.69Å; F47-L50 HydrophobicContact CG-CD1 4.23Å; F47-L50 HydrophobicContact CZ-CD1 4.2Å; L50-W52 HydrophobicContact CD2-CG 4.33Å; L50-T66 CarbonylContact O-C 3.52Å; L50-T66 WeakPolarHBondContact O-CA 2.84Å; L50-L67 HydrophobicContact CD2-CD1 4.17Å; L50-L67 PolarHBondContact N-O 2.88Å; L50-L67 PolarHBondContact O-N 2.83Å; L50-F83 HydrophobicContact CB-CD2 4.39Å; L50-F83 HydrophobicContact CB-CE2 4.08Å; L50-F83 HydrophobicContact CB-CZ 4.24Å; L50-F83 HydrophobicContact CD1-CE2 4.42Å; L50-S90 VanDerWaalsContact CD1-CB 3.44Å; L50-S90 WeakPolarHBondContact CD2-OG 3.45Å; L50-C107 HydrophobicContact CD1-CB 4.41Å; L50-C107 HydrophobicContact CD2-CB 4.32Å; L50-C107 HydrophobicContact CG-CB 4.44Å; L50-T108 CarbonylContact C-O 3.51Å; L50-T108 WeakPolarHBondContact CA-O 3.37Å
51	Y	97.8	Very high	95.6	Very high	55 Å²	55	60.4 Å²	60.4	22%	0.216	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.1	176.5	-59.3	-86.1	0	0	0	109.8	Q49 Y53 I63 V65 T66 C107 T108	Q49-Y51 VanDerWaalsContact CD-OH 3.23Å; Q49-Y51 HydrophobicContact CG-CE2 3.73Å; Q49-Y51 PolarHBondContact NE2-OH 2.83Å; Y51-Y53 HydrophobicContact CG-CE2 4.1Å; Y51-I63 HydrophobicContact CD1-CG2 4.46Å; Y51-V65 WeakPolarHBondContact CA-O 3.45Å; Y51-T66 HydrophobicContact CD1-CG2 3.88Å; Y51-T66 WeakPolarHBondContact CD1-OG1 3.36Å; Y51-T66 HydrophobicContact CE1-CG2 3.51Å; Y51-T66 WeakPolarHBondContact CE1-OG1 3.5Å; Y51-C107 WeakPolarHBondContact O-CA 3.25Å; Y51-T108 HydrophobicContact CD2-CG2 4.21Å; Y51-T108 PolarHBondContact N-O 3.47Å; Y51-T108 PolarHBondContact O-N 3.06Å; Y51-T108 VanDerWaalsContact O-N 3.11Å
52	W	98.2	Very high	95.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.008	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129	163.9	-82.9	101.3	0	0	0	109.5	A39 C41 L50 L64 V65 S90 L92 C107	A39-W52 HydrophobicContact CB-CH2 3.64Å; A39-W52 HydrophobicContact CB-CZ3 3.67Å; C41-W52 HydrophobicContact CB-CH2 3.89Å; C41-W52 HydrophobicContact CB-CZ2 3.76Å; L50-W52 HydrophobicContact CD2-CG 4.33Å; W52-L64 HydrophobicContact CB-CB 4.45Å; W52-L64 WeakPolarHBondContact O-CB 3.42Å; W52-L64 PolarHBondContact O-N 3.37Å; W52-V65 PolarHBondContact N-O 2.85Å; W52-V65 PolarHBondContact O-N 3.06Å; W52-S90 PolarHBondContact NE1-OG 3.16Å; W52-L92 HydrophobicContact CB-CD2 4.17Å; W52-L92 HydrophobicContact CD2-CB 3.55Å; W52-L92 HydrophobicContact CD2-CD2 4.01Å; W52-L92 HydrophobicContact CD2-CG 4.34Å; W52-L92 HydrophobicContact CE3-CB 3.97Å; W52-L92 HydrophobicContact CE3-CD2 3.94Å; W52-L92 HydrophobicContact CG-CB 3.91Å; W52-L92 HydrophobicContact CG-CD1 4.47Å; W52-L92 HydrophobicContact CG-CD2 4.12Å; W52-L92 HydrophobicContact CG-CG 4.4Å; W52-L92 HydrophobicContact CH2-CB 4.32Å; W52-L92 HydrophobicContact CZ2-CB 3.95Å; W52-L92 HydrophobicContact CZ3-CB 4.33Å; W52-C107 HydrophobicContact CD2-CB 4.34Å; W52-C107 HydrophobicContact CE3-CB 4.29Å; W52-C107 HydrophobicContact CH2-CB 4.3Å; W52-C107 HydrophobicContact CZ2-CB 4.33Å; W52-C107 HydrophobicContact CZ3-CB 4.27Å
53	Y	97.9	Very high	95.6	Very high	44 Å²	44	65.8 Å²	65.8	17%	0.173	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155	176.6	-70.7	-95.2	0	0	0	111	Y51 P61 V62 I63 Y105 F106 T108	Y51-Y53 HydrophobicContact CG-CE2 4.1Å; Y53-P61 HydrophobicContact CD1-CB 3.92Å; Y53-V62 VanDerWaalsContact CA-O 3.29Å; Y53-V62 WeakPolarHBondContact CA-O 3.48Å; Y53-I63 HydrophobicContact CD1-CG1 3.84Å; Y53-I63 HydrophobicContact CE1-CB 4.29Å; Y53-I63 HydrophobicContact CE1-CD1 4.09Å; Y53-I63 HydrophobicContact CE1-CG1 3.18Å; Y53-I63 HydrophobicContact CE2-CG1 4.45Å; Y53-Y105 WeakPolarHBondContact O-CA 3.39Å; Y53-F106 VanDerWaalsContact CB-CZ 3.46Å; Y53-F106 HydrophobicContact CD1-CE2 4.39Å; Y53-F106 HydrophobicContact CD1-CZ 4.33Å; Y53-F106 HydrophobicContact CD2-CD2 4.14Å; Y53-F106 AromaticContact CD2-CE2 3.71Å; Y53-F106 HydrophobicContact CD2-CE2 3.71Å; Y53-F106 HydrophobicContact CD2-CZ 4.39Å; Y53-F106 HydrophobicContact CG-CD2 4.28Å; Y53-F106 AromaticContact CG-CE2 3.63Å; Y53-F106 HydrophobicContact CG-CE2 3.63Å; Y53-F106 AromaticContact CG-CZ 3.84Å; Y53-F106 HydrophobicContact CG-CZ 3.84Å; Y53-F106 PolarHBondContact N-O 2.86Å; Y53-F106 PolarHBondContact O-N 3.48Å; Y53-F106 VanDerWaalsContact O-N 3.16Å; Y53-T108 HydrophobicContact CD2-CG2 3.92Å; Y53-T108 HydrophobicContact CE2-CG2 3.35Å
54	R	97.4	Very high	95.7	Very high	49 Å²	49	66.7 Å²	66.7	19%	0.185	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.5	160.4	176.8	-176.3	168.7	-152.4	-7.5	109.7	V62 L64 G100 D101 A102 I104 Y105	R54-V62 PolarHBondContact N-O 2.82Å; R54-V62 PolarHBondContact O-N 2.83Å; R54-L64 HydrophobicContact CB-CD1 3.82Å; R54-L64 HydrophobicContact CB-CD2 4.11Å; R54-L64 HydrophobicContact CB-CG 4.02Å; R54-G100 PolarHBondContact NH1-O 2.79Å; R54-G100 PolarHBondContact NH2-O 2.7Å; R54-D101 PolarHBondContact NE-O 2.85Å; R54-A102 PolarHBondContact NE-O 3.16Å; R54-A102 PolarHBondContact NH2-O 3.04Å; R54-I104 CarbonylContact C-O 3.5Å; R54-I104 WeakPolarHBondContact CA-O 3.39Å; R54-Y105 HydrophobicContact CB-CD1 4.24Å; R54-Y105 HydrophobicContact CB-CE1 4.07Å; R54-Y105 HydrophobicContact CG-CE1 4.19Å; R54-Y105 HydrophobicContact CG-CE2 4.34Å
55	Q	97.3	Very high	95.8	Very high	63 Å²	63	64 Å²	64	29%	0.294	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.7	173	-176.6	176.7	14.9	0	0	110.1	E59 P61 G103 I104 F106	Q55-E59 PolarHBondContact NE2-O 3.35Å; Q55-E59 VanDerWaalsContact NE2-O 3.12Å; Q55-P61 HydrophobicContact CB-CB 4.45Å; Q55-G103 WeakPolarHBondContact O-CA 3.47Å; Q55-I104 HydrophobicContact CB-CB 4.45Å; Q55-I104 PolarHBondContact N-O 2.8Å; Q55-I104 PolarHBondContact O-N 3.16Å; Q55-F106 HydrophobicContact CB-CE1 4.05Å
56	V	95.8	Very high	96.1	Very high	39 Å²	39	63 Å²	63	24%	0.236	33%	0.333	C	S	.	.			trans	-89.4	142.1	167.5	179.3	0	0	0	0	107.9	R58 E59	V56-R58 PolarHBondContact O-N 2.83Å; V56-E59 HydrophobicContact CB-CB 4.19Å; V56-E59 HydrophobicContact CB-CG 4.25Å; V56-E59 HydrophobicContact CG1-CG 4.49Å; V56-E59 WeakPolarHBondContact CG1-OE1 3.32Å; V56-E59 WeakPolarHBondContact O-CB 3.17Å; V56-E59 PolarHBondContact O-N 2.76Å
57	P	91.4	Very high	96.3	Very high	87 Å²	87	59.1 Å²	59.1	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	134.2	177.8	-27.6	35.6	0	0	0	112	E59	P57-E59 PolarHBondContact O-N 2.84Å
58	R	92.4	Very high	96.4	Very high	251 Å²	251	62.1 Å²	62.1	95%	0.947	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	1.7	-176.9	-43.4	176.3	-144	-80.5	-2	115.3	V56	V56-R58 PolarHBondContact O-N 2.83Å
59	E	94.4	Very high	96.6	Very high	114 Å²	114	64.6 Å²	64.6	53%	0.533	33%	0.329	S	S	.	.	S	Bend	trans	-106.1	160.8	171.4	-63.4	-179.8	-138.6	0	0	111.2	Q55 V56 P57	Q55-E59 PolarHBondContact NE2-O 3.35Å; Q55-E59 VanDerWaalsContact NE2-O 3.12Å; V56-E59 HydrophobicContact CB-CB 4.19Å; V56-E59 HydrophobicContact CB-CG 4.25Å; V56-E59 HydrophobicContact CG1-CG 4.49Å; V56-E59 WeakPolarHBondContact CG1-OE1 3.32Å; V56-E59 WeakPolarHBondContact O-CB 3.17Å; V56-E59 PolarHBondContact O-N 2.76Å; P57-E59 PolarHBondContact O-N 2.84Å
60	G	94.4	Very high	96.7	Very high	49 Å²	49	63.7 Å²	63.7	51%	0.505	33%	0.33	S	S	.	.			trans	-71.3	157.8	170.8	0	0	0	0	0	111.8
61	P	96.6	Very high	96.7	Very high	72 Å²	72	64.9 Å²	64.9	47%	0.468	34%	0.343	S	S	.	.			trans	-69.7	135.5	175.3	30.8	-35.2	0	0	0	111.1	Y53 Q55 F106	Y53-P61 HydrophobicContact CD1-CB 3.92Å; Q55-P61 HydrophobicContact CB-CB 4.45Å; P61-F106 HydrophobicContact CB-CE1 4.19Å; P61-F106 HydrophobicContact CB-CZ 3.64Å
62	V	97	Very high	96.7	Very high	84 Å²	84	64.1 Å²	64.1	51%	0.509	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131	177.3	-179.7	0	0	0	0	109.3	Y53 R54 L64	Y53-V62 VanDerWaalsContact CA-O 3.29Å; Y53-V62 WeakPolarHBondContact CA-O 3.48Å; R54-V62 PolarHBondContact N-O 2.82Å; R54-V62 PolarHBondContact O-N 2.83Å; V62-L64 PolarHBondContact O-N 3.16Å
63	I	97.2	Very high	96.7	Very high	86 Å²	86	67.7 Å²	67.7	44%	0.441	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.8	173.2	-62.1	171	0	0	0	108.5	Y51 Y53	Y51-I63 HydrophobicContact CD1-CG2 4.46Å; Y53-I63 HydrophobicContact CD1-CG1 3.84Å; Y53-I63 HydrophobicContact CE1-CB 4.29Å; Y53-I63 HydrophobicContact CE1-CD1 4.09Å; Y53-I63 HydrophobicContact CE1-CG1 3.18Å; Y53-I63 HydrophobicContact CE2-CG1 4.45Å
64	L	97.2	Very high	96.7	Very high	31 Å²	31	69.2 Å²	69.2	16%	0.162	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-52.6	171	-61	-178.8	0	0	0	110.7	W52 R54 V62 Q76 M79 L92 Y105	W52-L64 HydrophobicContact CB-CB 4.45Å; W52-L64 WeakPolarHBondContact O-CB 3.42Å; W52-L64 PolarHBondContact O-N 3.37Å; R54-L64 HydrophobicContact CB-CD1 3.82Å; R54-L64 HydrophobicContact CB-CD2 4.11Å; R54-L64 HydrophobicContact CB-CG 4.02Å; V62-L64 PolarHBondContact O-N 3.16Å; L64-Q76 PolarHBondContact O-OE1 2.63Å; L64-M79 HydrophobicContact CD1-SD 4.24Å; L64-M79 HydrophobicContact CD2-SD 4.5Å; L64-L92 HydrophobicContact CD1-CD2 3.79Å; L64-Y105 HydrophobicContact CD1-CD1 3.94Å; L64-Y105 HydrophobicContact CD1-CE1 3.65Å
65	V	97.8	Very high	96.7	Very high	10 Å²	10	74.3 Å²	74.3	6%	0.061	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144	-174.2	-173	0	0	0	0	110.8	Y51 W52 L67 K74 A81 L92	Y51-V65 WeakPolarHBondContact CA-O 3.45Å; W52-V65 PolarHBondContact N-O 2.85Å; W52-V65 PolarHBondContact O-N 3.06Å; V65-L67 HydrophobicContact CG1-CD2 4.02Å; V65-L67 HydrophobicContact CG1-CG 4.19Å; V65-K74 HydrophobicContact CG1-CB 3.9Å; V65-K74 HydrophobicContact CG1-CD 3.87Å; V65-K74 HydrophobicContact CG1-CG 4.42Å; V65-A81 HydrophobicContact CB-CB 4.04Å; V65-A81 HydrophobicContact CG1-CB 3.78Å; V65-A81 HydrophobicContact CG2-CB 4.05Å; V65-L92 HydrophobicContact CG2-CD1 4.45Å
66	T	97.9	Very high	96.6	Very high	42 Å²	42	75.8 Å²	75.8	26%	0.258	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.5	169.6	-56.2	0	0	0	0	109.6	L50 Y51 V68 K74	L50-T66 CarbonylContact O-C 3.52Å; L50-T66 WeakPolarHBondContact O-CA 2.84Å; Y51-T66 HydrophobicContact CD1-CG2 3.88Å; Y51-T66 WeakPolarHBondContact CD1-OG1 3.36Å; Y51-T66 HydrophobicContact CE1-CG2 3.51Å; Y51-T66 WeakPolarHBondContact CE1-OG1 3.5Å; T66-V68 HydrophobicContact CG2-CG2 4.08Å; T66-K74 VanDerWaalsContact O-CD 3.32Å; T66-K74 WeakPolarHBondContact O-CD 3.41Å; T66-K74 WeakPolarHBondContact O-CE 3.2Å; T66-K74 PolarHBondContact O-NZ 2.73Å
67	L	98.3	Very high	96.5	Very high	0 Å²	0	85.8 Å²	85.8	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125	180	-58.8	168.1	0	0	0	109.1	Q49 L50 V65 E72 K74 A81 F83	Q49-L67 CarbonylContact C-O 3.6Å; Q49-L67 VanDerWaalsContact CA-O 3.28Å; Q49-L67 WeakPolarHBondContact CA-O 3.24Å; Q49-L67 WeakPolarHBondContact CB-O 3.48Å; L50-L67 HydrophobicContact CD2-CD1 4.17Å; L50-L67 PolarHBondContact N-O 2.88Å; L50-L67 PolarHBondContact O-N 2.83Å; V65-L67 HydrophobicContact CG1-CD2 4.02Å; V65-L67 HydrophobicContact CG1-CG 4.19Å; L67-E72 WeakPolarHBondContact CA-OE2 3.41Å; L67-E72 HydrophobicContact CD2-CB 4.36Å; L67-E72 HydrophobicContact CD2-CG 4.06Å; L67-K74 HydrophobicContact CD2-CB 4.09Å; L67-K74 HydrophobicContact CD2-CD 4.06Å; L67-K74 HydrophobicContact CD2-CG 3.84Å; L67-A81 HydrophobicContact CD1-CB 4.03Å; L67-A81 HydrophobicContact CD2-CB 4.34Å; L67-F83 HydrophobicContact CB-CB 3.92Å; L67-F83 HydrophobicContact CB-CD1 3.9Å; L67-F83 HydrophobicContact CB-CG 4.08Å; L67-F83 HydrophobicContact CD1-CB 3.91Å; L67-F83 HydrophobicContact CG-CB 4.39Å
68	V	97.9	Very high	96.7	Very high	66 Å²	66	84.1 Å²	84.1	40%	0.4	42%	0.419	S	S	.	.			trans	-119.5	-28	-172.3	-175.1	0	0	0	0	111.6	Q49 T66 E72 R87	Q49-V68 HydrophobicContact CB-CG2 4.39Å; T66-V68 HydrophobicContact CG2-CG2 4.08Å; V68-E72 PolarHBondContact N-OE2 2.98Å; V68-R87 PolarHBondContact O-NH1 3.08Å; V68-R87 PolarHBondContact O-NH2 2.84Å
69	K	97.8	Very high	97	Very high	144 Å²	144	73.6 Å²	73.6	63%	0.626	38%	0.381	S	S	*	.	S	Bend	trans	-102.8	147.3	-174.7	-63.9	179.3	-177.2	178.2	0	112.1	G71 E72 F83	K69-G71 PolarHBondContact O-N 2.8Å; K69-E72 HydrophobicContact CB-CB 4.08Å; K69-E72 PolarHBondContact N-OE2 2.89Å; K69-E72 WeakPolarHBondContact O-CB 3.4Å; K69-E72 PolarHBondContact O-N 2.8Å; K69-F83 WeakPolarHBondContact O-CD1 3.15Å
70	S	97.6	Very high	97.2	Very high	50 Å²	50	69.4 Å²	69.4	35%	0.35	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	135.5	169.8	-171.6	0	0	0	0	109.7	E72 E85	S70-E72 PolarHBondContact O-N 2.69Å; S70-E72 VanDerWaalsContact O-N 3.13Å; S70-E85 VanDerWaalsContact OG-CA 3.28Å; S70-E85 WeakPolarHBondContact OG-CA 3.41Å; S70-E85 PolarHBondContact OG-O 2.95Å; S70-E85 PolarHBondContact OG-OE2 3.11Å
71	G	97.8	Very high	97.4	Very high	25 Å²	25	67.1 Å²	67.1	26%	0.258	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	6.1	178.3	0	0	0	0	0	114.6	K69 V73 F83 E85	K69-G71 PolarHBondContact O-N 2.8Å; G71-V73 PolarHBondContact O-N 2.76Å; G71-F83 CarbonylContact C-O 3.49Å; G71-F83 WeakPolarHBondContact CA-O 3.33Å; G71-F83 PolarHBondContact N-O 3.08Å; G71-F83 VanDerWaalsContact N-O 3.16Å; G71-E85 WeakPolarHBondContact CA-OE1 3.4Å; G71-E85 PolarHBondContact N-OE2 2.9Å
72	E	98.4	Very high	97.5	Very high	39 Å²	39	68.9 Å²	68.9	18%	0.182	34%	0.339	C	S	.	.			trans	-63.5	133.8	-173.6	-172.4	170.4	-159	0	0	111.7	L67 V68 K69 S70 K74 K82 F83	L67-E72 WeakPolarHBondContact CA-OE2 3.41Å; L67-E72 HydrophobicContact CD2-CB 4.36Å; L67-E72 HydrophobicContact CD2-CG 4.06Å; V68-E72 PolarHBondContact N-OE2 2.98Å; K69-E72 HydrophobicContact CB-CB 4.08Å; K69-E72 PolarHBondContact N-OE2 2.89Å; K69-E72 WeakPolarHBondContact O-CB 3.4Å; K69-E72 PolarHBondContact O-N 2.8Å; S70-E72 PolarHBondContact O-N 2.69Å; S70-E72 VanDerWaalsContact O-N 3.13Å; E72-K74 HydrophobicContact CG-CG 4.25Å; E72-K74 WeakPolarHBondContact OE1-CE 3.16Å; E72-K74 IonicContact OE1-NZ 3.3Å; E72-K82 CarbonylContact O-C 3.55Å; E72-K82 WeakPolarHBondContact O-CA 3.37Å; E72-F83 HydrophobicContact CB-CB 4.34Å; E72-F83 PolarHBondContact O-N 2.76Å
73	V	98.6	Very high	97.5	Very high	76 Å²	76	65 Å²	65	46%	0.461	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.1	171.4	-176.7	0	0	0	0	108.1	G71 T80 A81 K82	G71-V73 PolarHBondContact O-N 2.76Å; V73-T80 HydrophobicContact CG1-CG2 3.84Å; V73-A81 CarbonylContact C-O 3.51Å; V73-A81 WeakPolarHBondContact CA-O 3.45Å; V73-K82 HydrophobicContact CG1-CG 4.16Å; V73-K82 HydrophobicContact CG2-CD 4.32Å; V73-K82 HydrophobicContact CG2-CG 4Å
74	K	98.4	Very high	97.6	Very high	77 Å²	77	61.6 Å²	61.6	34%	0.335	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.5	173	-72.7	-166.9	-177.5	-178.5	0	110.2	V65 T66 L67 E72 T80 A81	V65-K74 HydrophobicContact CG1-CB 3.9Å; V65-K74 HydrophobicContact CG1-CD 3.87Å; V65-K74 HydrophobicContact CG1-CG 4.42Å; T66-K74 VanDerWaalsContact O-CD 3.32Å; T66-K74 WeakPolarHBondContact O-CD 3.41Å; T66-K74 WeakPolarHBondContact O-CE 3.2Å; T66-K74 PolarHBondContact O-NZ 2.73Å; L67-K74 HydrophobicContact CD2-CB 4.09Å; L67-K74 HydrophobicContact CD2-CD 4.06Å; L67-K74 HydrophobicContact CD2-CG 3.84Å; E72-K74 HydrophobicContact CG-CG 4.25Å; E72-K74 WeakPolarHBondContact OE1-CE 3.16Å; E72-K74 IonicContact OE1-NZ 3.3Å; K74-T80 CarbonylContact O-C 3.54Å; K74-T80 WeakPolarHBondContact O-CA 3.1Å; K74-A81 PolarHBondContact N-O 3.41Å; K74-A81 PolarHBondContact O-N 2.81Å
75	E	97.7	Very high	97.6	Very high	155 Å²	155	66.6 Å²	66.6	72%	0.724	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	131	174.7	-65	-175.8	175.6	0	0	109.3	M79 T80	E75-M79 CarbonylContact C-O 3.58Å; E75-M79 WeakPolarHBondContact CA-O 3.31Å; E75-T80 HydrophobicContact CG-CG2 3.96Å
76	Q	93.4	Very high	97.6	Very high	94 Å²	94	69.1 Å²	69.1	44%	0.439	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	111.4	176.7	-171.2	-179.9	11.9	0	0	109.6	L64 R78 M79	L64-Q76 PolarHBondContact O-OE1 2.63Å; Q76-R78 PolarHBondContact O-N 2.85Å; Q76-M79 PolarHBondContact N-O 2.91Å; Q76-M79 WeakPolarHBondContact O-CA 3.43Å; Q76-M79 WeakPolarHBondContact O-CB 3.45Å; Q76-M79 PolarHBondContact O-N 2.88Å
77	R	93.8	Very high	97.6	Very high	250 Å²	250	70.6 Å²	70.6	94%	0.943	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-110.7	-177.8	-58.2	177.7	174	-179.3	-1.9	111.1
78	R	96.9	Very high	97.5	Very high	51 Å²	51	74.7 Å²	74.7	19%	0.192	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.9	178.8	-63.5	-174.7	-71.4	96.6	-1.3	112.8	Q76 I94 A95 R96 Q98 D101	Q76-R78 PolarHBondContact O-N 2.85Å; R78-I94 WeakPolarHBondContact O-CA 3.28Å; R78-A95 HydrophobicContact CB-CB 4.4Å; R78-A95 WeakPolarHBondContact CB-O 3.11Å; R78-A95 WeakPolarHBondContact CD-O 3.36Å; R78-A95 PolarHBondContact NH1-O 2.93Å; R78-A95 PolarHBondContact O-N 2.82Å; R78-R96 PolarHBondContact NH1-O 2.98Å; R78-R96 VanDerWaalsContact NH1-O 3.16Å; R78-Q98 VanDerWaalsContact NH2-CD 3.32Å; R78-D101 IonicContact CZ-OD1 3.98Å; R78-D101 IonicContact CZ-OD2 2.8Å; R78-D101 VanDerWaalsContact CZ-OD2 3.3Å; R78-D101 IonicContact NH1-OD1 3.59Å; R78-D101 IonicContact NH1-OD2 4Å; R78-D101 PolarHBondContact NH1-OD2 3.1Å; R78-D101 IonicContact NH2-OD1 3.05Å; R78-D101 PolarHBondContact NH2-OD1 2.8Å; R78-D101 IonicContact NH2-OD2 2.9Å; R78-D101 PolarHBondContact NH2-OD2 2.86Å
79	M	97.8	Very high	97.5	Very high	30 Å²	30	75.2 Å²	75.2	15%	0.148	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.7	-172.8	-53.5	-175.1	-88.6	0	0	111.2	L64 E75 Q76 L92 F93 I94	L64-M79 HydrophobicContact CD1-SD 4.24Å; L64-M79 HydrophobicContact CD2-SD 4.5Å; E75-M79 CarbonylContact C-O 3.58Å; E75-M79 WeakPolarHBondContact CA-O 3.31Å; Q76-M79 PolarHBondContact N-O 2.91Å; Q76-M79 WeakPolarHBondContact O-CA 3.43Å; Q76-M79 WeakPolarHBondContact O-CB 3.45Å; Q76-M79 PolarHBondContact O-N 2.88Å; M79-L92 HydrophobicContact CB-CD1 4.31Å; M79-F93 CarbonylContact C-O 3.55Å; M79-F93 WeakPolarHBondContact CA-O 3.25Å; M79-I94 HydrophobicContact CG-CD1 4.26Å; M79-I94 HydrophobicContact CG-CG1 3.94Å; M79-I94 HydrophobicContact CG-CG2 4.47Å; M79-I94 HydrophobicContact SD-CD1 4.13Å; M79-I94 HydrophobicContact SD-CG1 4.43Å
80	T	98.6	Very high	97.6	Very high	27 Å²	27	68.6 Å²	68.6	17%	0.166	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.3	172.2	-54.7	0	0	0	0	108.9	V73 K74 E75 K82 F93	V73-T80 HydrophobicContact CG1-CG2 3.84Å; K74-T80 CarbonylContact O-C 3.54Å; K74-T80 WeakPolarHBondContact O-CA 3.1Å; E75-T80 HydrophobicContact CG-CG2 3.96Å; T80-K82 HydrophobicContact CG2-CG 4.47Å; T80-F93 PolarHBondContact N-O 2.8Å; T80-F93 PolarHBondContact O-N 3.14Å
81	A	98.5	Very high	97.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.2	174.6	0	0	0	0	0	110.4	V65 L67 V73 K74 S91 L92	V65-A81 HydrophobicContact CB-CB 4.04Å; V65-A81 HydrophobicContact CG1-CB 3.78Å; V65-A81 HydrophobicContact CG2-CB 4.05Å; L67-A81 HydrophobicContact CD1-CB 4.03Å; L67-A81 HydrophobicContact CD2-CB 4.34Å; V73-A81 CarbonylContact C-O 3.51Å; V73-A81 WeakPolarHBondContact CA-O 3.45Å; K74-A81 PolarHBondContact N-O 3.41Å; K74-A81 PolarHBondContact O-N 2.81Å; A81-S91 CarbonylContact C-O 3.45Å; A81-S91 VanDerWaalsContact CA-O 3.23Å; A81-S91 WeakPolarHBondContact CA-O 3.28Å; A81-L92 HydrophobicContact CB-CD1 4.06Å
82	K	98.6	Very high	97.7	Very high	109 Å²	109	66.4 Å²	66.4	47%	0.474	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136	178.8	-56.8	-171.2	176.4	-179	0	110.4	E72 V73 T80 S90 S91	E72-K82 CarbonylContact O-C 3.55Å; E72-K82 WeakPolarHBondContact O-CA 3.37Å; V73-K82 HydrophobicContact CG1-CG 4.16Å; V73-K82 HydrophobicContact CG2-CD 4.32Å; V73-K82 HydrophobicContact CG2-CG 4Å; T80-K82 HydrophobicContact CG2-CG 4.47Å; K82-S90 WeakPolarHBondContact O-CA 2.89Å; K82-S90 VanDerWaalsContact O-CB 3.25Å; K82-S90 WeakPolarHBondContact O-CB 3.23Å; K82-S90 PolarHBondContact O-OG 3.13Å; K82-S91 PolarHBondContact N-O 2.01Å; K82-S91 PolarHBondContact O-N 3.42Å; K82-S91 VanDerWaalsContact O-N 3.08Å
83	F	98.6	Very high	97.7	Very high	3 Å²	3	67.7 Å²	67.7	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.8	171.9	-160.2	-174	0	0	0	108.7	F47 L50 L67 K69 G71 E72 R87 N89	F47-F83 HydrophobicContact CB-CE2 4.19Å; F47-F83 HydrophobicContact CB-CZ 3.9Å; F47-F83 HydrophobicContact CD2-CE2 4.14Å; L50-F83 HydrophobicContact CB-CD2 4.39Å; L50-F83 HydrophobicContact CB-CE2 4.08Å; L50-F83 HydrophobicContact CB-CZ 4.24Å; L50-F83 HydrophobicContact CD1-CE2 4.42Å; L67-F83 HydrophobicContact CB-CB 3.92Å; L67-F83 HydrophobicContact CB-CD1 3.9Å; L67-F83 HydrophobicContact CB-CG 4.08Å; L67-F83 HydrophobicContact CD1-CB 3.91Å; L67-F83 HydrophobicContact CG-CB 4.39Å; K69-F83 WeakPolarHBondContact O-CD1 3.15Å; G71-F83 CarbonylContact C-O 3.49Å; G71-F83 WeakPolarHBondContact CA-O 3.33Å; G71-F83 PolarHBondContact N-O 3.08Å; G71-F83 VanDerWaalsContact N-O 3.16Å; E72-F83 HydrophobicContact CB-CB 4.34Å; E72-F83 PolarHBondContact O-N 2.76Å; F83-R87 HydrophobicContact CE1-CB 4.3Å; F83-R87 HydrophobicContact CE1-CG 3.91Å; F83-R87 VanDerWaalsContact CE2-CA 3.49Å; F83-R87 HydrophobicContact CE2-CB 3.8Å; F83-R87 HydrophobicContact CE2-CG 4.17Å; F83-R87 HydrophobicContact CZ-CB 3.56Å; F83-R87 HydrophobicContact CZ-CG 3.68Å; F83-N89 WeakPolarHBondContact CD2-O 3.35Å
84	G	98.1	Very high	97.7	Very high	14 Å²	14	64 Å²	64	14%	0.144	30%	0.301	C	S	.	.			trans	-62.3	151.1	-179.6	0	0	0	0	0	112.1	A86 R87 N89	G84-A86 VanDerWaalsContact C-N 3.28Å; G84-A86 PolarHBondContact O-N 2.84Å; G84-R87 WeakPolarHBondContact O-CA 3.23Å; G84-R87 PolarHBondContact O-N 2.76Å; G84-N89 VanDerWaalsContact CA-OD1 3.31Å; G84-N89 WeakPolarHBondContact CA-OD1 3.23Å; G84-N89 PolarHBondContact N-O 2.95Å
85	E	97.9	Very high	97.7	Very high	137 Å²	137	61.1 Å²	61.1	64%	0.64	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.1	-179.7	-66.5	-64.9	173.5	0	0	112.8	S70 G71 R87	S70-E85 VanDerWaalsContact OG-CA 3.28Å; S70-E85 WeakPolarHBondContact OG-CA 3.41Å; S70-E85 PolarHBondContact OG-O 2.95Å; S70-E85 PolarHBondContact OG-OE2 3.11Å; G71-E85 WeakPolarHBondContact CA-OE1 3.4Å; G71-E85 PolarHBondContact N-OE2 2.9Å; E85-R87 PolarHBondContact O-N 2.83Å; E85-R87 VanDerWaalsContact O-N 3.1Å
86	A	97.3	Very high	97.7	Very high	63 Å²	63	61.4 Å²	61.4	52%	0.521	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.4	176.2	0	0	0	0	0	113.3	T46 G84 K88	T46-A86 WeakPolarHBondContact CG2-O 3.4Å; G84-A86 VanDerWaalsContact C-N 3.28Å; G84-A86 PolarHBondContact O-N 2.84Å; A86-K88 HydrophobicContact CB-CB 4.46Å; A86-K88 HydrophobicContact CB-CG 4.3Å; A86-K88 WeakPolarHBondContact O-CG 3.15Å; A86-K88 PolarHBondContact O-N 2.76Å
87	R	97.2	Very high	97.9	Very high	73 Å²	73	57.3 Å²	57.3	28%	0.275	27%	0.268	S	S	.	.	S	Bend	trans	53	23.5	-170.9	-61.2	-179.9	176.1	-122	-0.4	114.2	T46 F47 P48 V68 F83 G84 E85	T46-R87 CarbonylContact C-O 3.47Å; T46-R87 WeakPolarHBondContact CA-O 3.5Å; F47-R87 VanDerWaalsContact CD2-O 3.23Å; F47-R87 WeakPolarHBondContact CD2-O 3.47Å; F47-R87 PolarHBondContact N-O 3.17Å; P48-R87 PolarHBondContact O-NH1 2.84Å; V68-R87 PolarHBondContact O-NH1 3.08Å; V68-R87 PolarHBondContact O-NH2 2.84Å; F83-R87 HydrophobicContact CE1-CB 4.3Å; F83-R87 HydrophobicContact CE1-CG 3.91Å; F83-R87 VanDerWaalsContact CE2-CA 3.49Å; F83-R87 HydrophobicContact CE2-CB 3.8Å; F83-R87 HydrophobicContact CE2-CG 4.17Å; F83-R87 HydrophobicContact CZ-CB 3.56Å; F83-R87 HydrophobicContact CZ-CG 3.68Å; G84-R87 WeakPolarHBondContact O-CA 3.23Å; G84-R87 PolarHBondContact O-N 2.76Å; E85-R87 PolarHBondContact O-N 2.83Å; E85-R87 VanDerWaalsContact O-N 3.1Å
88	K	97.1	Very high	98	Very high	86 Å²	86	50 Å²	50	37%	0.374	25%	0.245	S	C	.	.	S	Bend	trans	-104.9	-2.6	178.5	-64.5	-160.9	179	-167.4	0	113.4	S42 S43 S44 T46 A86	S42-K88 CarbonylContact C-O 3.58Å; S42-K88 VanDerWaalsContact CA-O 3.25Å; S42-K88 WeakPolarHBondContact CA-O 3.36Å; S43-K88 PolarHBondContact N-O 3.41Å; S44-K88 PolarHBondContact O-NZ 3.14Å; T46-K88 HydrophobicContact CG2-CG 3.93Å; A86-K88 HydrophobicContact CB-CB 4.46Å; A86-K88 HydrophobicContact CB-CG 4.3Å; A86-K88 WeakPolarHBondContact O-CG 3.15Å; A86-K88 PolarHBondContact O-N 2.76Å
89	N	98.1	Very high	98	Very high	77 Å²	77	52.1 Å²	52.1	41%	0.412	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.5	-179.5	61.6	64	0	0	0	111.5	C41 F83 G84	C41-N89 CarbonylContact O-C 3.55Å; C41-N89 WeakPolarHBondContact O-CA 3.45Å; C41-N89 WeakPolarHBondContact O-CB 3.19Å; F83-N89 WeakPolarHBondContact CD2-O 3.35Å; G84-N89 VanDerWaalsContact CA-OD1 3.31Å; G84-N89 WeakPolarHBondContact CA-OD1 3.23Å; G84-N89 PolarHBondContact N-O 2.95Å
90	S	98.6	Very high	97.8	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.035	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.8	172.5	179.6	0	0	0	0	110.7	R40 C41 L50 W52 K82	R40-S90 WeakPolarHBondContact CA-O 2.94Å; C41-S90 PolarHBondContact N-O 3.46Å; C41-S90 PolarHBondContact O-N 3.19Å; L50-S90 VanDerWaalsContact CD1-CB 3.44Å; L50-S90 WeakPolarHBondContact CD2-OG 3.45Å; W52-S90 PolarHBondContact NE1-OG 3.16Å; K82-S90 WeakPolarHBondContact O-CA 2.89Å; K82-S90 VanDerWaalsContact O-CB 3.25Å; K82-S90 WeakPolarHBondContact O-CB 3.23Å; K82-S90 PolarHBondContact O-OG 3.13Å
91	S	98.6	Very high	97.7	Very high	29 Å²	29	53 Å²	53	20%	0.203	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.9	172.4	60.7	0	0	0	0	110.5	A39 A81 K82	A39-S91 CarbonylContact O-C 3.45Å; A39-S91 VanDerWaalsContact O-CA 3.28Å; A39-S91 WeakPolarHBondContact O-CA 3.33Å; A81-S91 CarbonylContact C-O 3.45Å; A81-S91 VanDerWaalsContact CA-O 3.23Å; A81-S91 WeakPolarHBondContact CA-O 3.28Å; K82-S91 PolarHBondContact N-O 2.01Å; K82-S91 PolarHBondContact O-N 3.42Å; K82-S91 VanDerWaalsContact O-N 3.08Å
92	L	98.8	Very high	97.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.3	167.3	177	70.2	0	0	0	108.6	T38 A39 W52 L64 V65 M79 A81 I94 Y105	T38-L92 CarbonylContact C-O 3.58Å; T38-L92 VanDerWaalsContact CA-O 3.31Å; T38-L92 WeakPolarHBondContact CA-O 3.25Å; A39-L92 HydrophobicContact CB-CB 4.49Å; A39-L92 PolarHBondContact N-O 3.11Å; A39-L92 PolarHBondContact O-N 3.41Å; W52-L92 HydrophobicContact CB-CD2 4.17Å; W52-L92 HydrophobicContact CD2-CB 3.55Å; W52-L92 HydrophobicContact CD2-CD2 4.01Å; W52-L92 HydrophobicContact CD2-CG 4.34Å; W52-L92 HydrophobicContact CE3-CB 3.97Å; W52-L92 HydrophobicContact CE3-CD2 3.94Å; W52-L92 HydrophobicContact CG-CB 3.91Å; W52-L92 HydrophobicContact CG-CD1 4.47Å; W52-L92 HydrophobicContact CG-CD2 4.12Å; W52-L92 HydrophobicContact CG-CG 4.4Å; W52-L92 HydrophobicContact CH2-CB 4.32Å; W52-L92 HydrophobicContact CZ2-CB 3.95Å; W52-L92 HydrophobicContact CZ3-CB 4.33Å; L64-L92 HydrophobicContact CD1-CD2 3.79Å; V65-L92 HydrophobicContact CG2-CD1 4.45Å; M79-L92 HydrophobicContact CB-CD1 4.31Å; A81-L92 HydrophobicContact CB-CD1 4.06Å; L92-I94 HydrophobicContact CD2-CD1 4.2Å; L92-I94 HydrophobicContact CG-CD1 4.45Å; L92-I94 HydrophobicContact CG-CG1 4.29Å; L92-Y105 HydrophobicContact CD2-CD1 3.76Å; L92-Y105 HydrophobicContact CD2-CE1 4.09Å
93	F	98.7	Very high	97.4	Very high	65 Å²	65	52.7 Å²	52.7	29%	0.285	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.6	172.1	171.7	-103.6	0	0	0	109.9	D36 F37 M79 T80 A95	D36-F93 HydrophobicContact CB-CE2 3.69Å; D36-F93 HydrophobicContact CB-CZ 3.97Å; F37-F93 WeakPolarHBondContact O-CA 3.44Å; F37-F93 WeakPolarHBondContact O-CD2 3.13Å; M79-F93 CarbonylContact C-O 3.55Å; M79-F93 WeakPolarHBondContact CA-O 3.25Å; T80-F93 PolarHBondContact N-O 2.8Å; T80-F93 PolarHBondContact O-N 3.14Å; F93-A95 HydrophobicContact CE1-CB 3.72Å; F93-A95 HydrophobicContact CZ-CB 3.96Å
94	I	98.4	Very high	97.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.8	173.4	-56.5	-172.4	0	0	0	107.9	D36 F37 R78 M79 L92 Y105	D36-I94 WeakPolarHBondContact CA-O 3.46Å; F37-I94 HydrophobicContact CD1-CB 3.94Å; F37-I94 HydrophobicContact CD1-CG2 4.48Å; F37-I94 HydrophobicContact CE1-CB 3.54Å; F37-I94 HydrophobicContact CE1-CD1 3.87Å; F37-I94 HydrophobicContact CE1-CG1 4.05Å; F37-I94 HydrophobicContact CE1-CG2 3.89Å; F37-I94 HydrophobicContact CE2-CD1 4.08Å; F37-I94 HydrophobicContact CE2-CG1 4.35Å; F37-I94 HydrophobicContact CZ-CB 3.89Å; F37-I94 HydrophobicContact CZ-CD1 3.37Å; F37-I94 HydrophobicContact CZ-CG1 3.85Å; F37-I94 HydrophobicContact CZ-CG2 4.49Å; F37-I94 PolarHBondContact N-O 3.49Å; F37-I94 PolarHBondContact O-N 3.33Å; R78-I94 WeakPolarHBondContact O-CA 3.28Å; M79-I94 HydrophobicContact CG-CD1 4.26Å; M79-I94 HydrophobicContact CG-CG1 3.94Å; M79-I94 HydrophobicContact CG-CG2 4.47Å; M79-I94 HydrophobicContact SD-CD1 4.13Å; M79-I94 HydrophobicContact SD-CG1 4.43Å; L92-I94 HydrophobicContact CD2-CD1 4.2Å; L92-I94 HydrophobicContact CG-CD1 4.45Å; L92-I94 HydrophobicContact CG-CG1 4.29Å; I94-Y105 HydrophobicContact CD1-CD1 4.41Å; I94-Y105 HydrophobicContact CD1-CE1 3.47Å; I94-Y105 VanDerWaalsContact CD1-CE1 3.47Å
95	A	98.4	Very high	97.3	Very high	16 Å²	16	58.2 Å²	58.2	13%	0.132	33%	0.326	C	S	.	.	S	Bend	trans	-84	145.8	176.1	0	0	0	0	0	111.4	D36 R78 F93 A97	D36-A95 VanDerWaalsContact OD1-CA 3.24Å; D36-A95 WeakPolarHBondContact OD1-CA 3.35Å; R78-A95 HydrophobicContact CB-CB 4.4Å; R78-A95 WeakPolarHBondContact CB-O 3.11Å; R78-A95 WeakPolarHBondContact CD-O 3.36Å; R78-A95 PolarHBondContact NH1-O 2.93Å; R78-A95 PolarHBondContact O-N 2.82Å; F93-A95 HydrophobicContact CE1-CB 3.72Å; F93-A95 HydrophobicContact CZ-CB 3.96Å; A95-A97 PolarHBondContact O-N 3.42Å
96	R	98	Very high	97.3	Very high	160 Å²	160	54.4 Å²	54.4	60%	0.604	31%	0.307	S	S	*	.	S	Bend	trans	45.6	66.7	173.2	-60.2	-171.4	-65.8	-94.1	3	111.7	D36 R78 Q98	D36-R96 PolarHBondContact OD1-N 2.79Å; R78-R96 PolarHBondContact NH1-O 2.98Å; R78-R96 VanDerWaalsContact NH1-O 3.16Å; R96-Q98 PolarHBondContact O-N 3.06Å
97	A	97.2	Very high	97.3	Very high	8 Å²	8	51.6 Å²	51.6	7%	0.066	28%	0.284	C	S	.	.			trans	-52.8	136.8	-177.2	0	0	0	0	0	111.2	I31 E33 G34 Q35 F37 A95 D101	I31-A97 HydrophobicContact CD1-CB 3.65Å; E33-A97 WeakPolarHBondContact CA-O 3.31Å; E33-A97 WeakPolarHBondContact CG-O 3.43Å; G34-A97 PolarHBondContact N-O 2.86Å; Q35-A97 WeakPolarHBondContact O-CB 3.14Å; Q35-A97 PolarHBondContact O-N 2.85Å; F37-A97 HydrophobicContact CD1-CB 4.32Å; F37-A97 HydrophobicContact CE1-CB 4.42Å; A95-A97 PolarHBondContact O-N 3.42Å; A97-D101 WeakPolarHBondContact CA-OD2 3.08Å
98	Q	97.3	Very high	97.2	Very high	98 Å²	98	51 Å²	51	46%	0.458	29%	0.289	S	S	.	.			trans	-111.9	160.3	177.7	-67.4	176.2	-21.1	0	0	109.8	R78 R96 G100 D101	R78-Q98 VanDerWaalsContact NH2-CD 3.32Å; R96-Q98 PolarHBondContact O-N 3.06Å; Q98-G100 PolarHBondContact O-N 3.31Å; Q98-G100 VanDerWaalsContact O-N 3.13Å; Q98-D101 PolarHBondContact N-OD2 3.02Å; Q98-D101 VanDerWaalsContact O-CB 3.32Å; Q98-D101 WeakPolarHBondContact O-CB 3.39Å; Q98-D101 PolarHBondContact O-N 2.83Å
99	P	95.5	Very high	96.7	Very high	94 Å²	94	48.6 Å²	48.6	61%	0.61	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-54	-36.6	175.4	-27.3	35.3	0	0	0	112.3	D101 A102	P99-D101 PolarHBondContact O-N 3.1Å; P99-D101 VanDerWaalsContact O-N 3.15Å; P99-A102 WeakPolarHBondContact O-CB 3.12Å; P99-A102 PolarHBondContact O-N 2.85Å
100	G	94.5	Very high	96.7	Very high	52 Å²	52	47.2 Å²	47.2	54%	0.536	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-69.6	0.4	175.2	0	0	0	0	0	115.1	R54 Q98	R54-G100 PolarHBondContact NH1-O 2.79Å; R54-G100 PolarHBondContact NH2-O 2.7Å; Q98-G100 PolarHBondContact O-N 3.31Å; Q98-G100 VanDerWaalsContact O-N 3.13Å
101	D	95.8	Very high	96.6	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.123	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-95.7	-7.8	172.5	-63	-31.1	0	0	0	112.1	R54 R78 A97 Q98 P99 G103 Y105	R54-D101 PolarHBondContact NE-O 2.85Å; R78-D101 IonicContact CZ-OD1 3.98Å; R78-D101 IonicContact CZ-OD2 2.8Å; R78-D101 VanDerWaalsContact CZ-OD2 3.3Å; R78-D101 IonicContact NH1-OD1 3.59Å; R78-D101 IonicContact NH1-OD2 4Å; R78-D101 PolarHBondContact NH1-OD2 3.1Å; R78-D101 IonicContact NH2-OD1 3.05Å; R78-D101 PolarHBondContact NH2-OD1 2.8Å; R78-D101 IonicContact NH2-OD2 2.9Å; R78-D101 PolarHBondContact NH2-OD2 2.86Å; A97-D101 WeakPolarHBondContact CA-OD2 3.08Å; Q98-D101 PolarHBondContact N-OD2 3.02Å; Q98-D101 VanDerWaalsContact O-CB 3.32Å; Q98-D101 WeakPolarHBondContact O-CB 3.39Å; Q98-D101 PolarHBondContact O-N 2.83Å; P99-D101 PolarHBondContact O-N 3.1Å; P99-D101 VanDerWaalsContact O-N 3.15Å; D101-G103 PolarHBondContact O-N 2.75Å; D101-Y105 WeakPolarHBondContact O-CE2 3.24Å; D101-Y105 PolarHBondContact O-OH 3.42Å
102	A	96.1	Very high	96.5	Very high	69 Å²	69	50.6 Å²	50.6	57%	0.57	30%	0.3	S	S	*	.			trans	-62.1	133.4	-179.5	0	0	0	0	0	112.1	R54 P99	R54-A102 PolarHBondContact NE-O 3.16Å; R54-A102 PolarHBondContact NH2-O 3.04Å; P99-A102 WeakPolarHBondContact O-CB 3.12Å; P99-A102 PolarHBondContact O-N 2.85Å
103	G	96.4	Very high	96.3	Very high	35 Å²	35	53.5 Å²	53.5	36%	0.361	32%	0.318	S	S	.	.	S	Bend	trans	163.9	-177.2	178.7	0	0	0	0	0	113	Q55 D101 Y105	Q55-G103 WeakPolarHBondContact O-CA 3.47Å; D101-G103 PolarHBondContact O-N 2.75Å; G103-Y105 WeakPolarHBondContact O-CD2 3.22Å
104	I	97.1	Very high	96.2	Very high	98 Å²	98	52.8 Å²	52.8	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.8	174.7	-57.8	172.2	0	0	0	107.8	R54 Q55 F106	R54-I104 CarbonylContact C-O 3.5Å; R54-I104 WeakPolarHBondContact CA-O 3.39Å; Q55-I104 HydrophobicContact CB-CB 4.45Å; Q55-I104 PolarHBondContact N-O 2.8Å; Q55-I104 PolarHBondContact O-N 3.16Å; I104-F106 HydrophobicContact CG2-CD1 4.27Å
105	Y	97.4	Very high	96	Very high	35 Å²	35	56.3 Å²	56.3	14%	0.137	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132	175.8	-70	-99.2	0	0	0	109.7	F37 Y53 R54 L64 L92 I94 D101 G103	F37-Y105 HydrophobicContact CE2-CD2 4.46Å; F37-Y105 HydrophobicContact CE2-CE2 4.35Å; F37-Y105 HydrophobicContact CZ-CD2 4.44Å; F37-Y105 HydrophobicContact CZ-CE1 4.25Å; F37-Y105 AromaticContact CZ-CE2 3.88Å; F37-Y105 HydrophobicContact CZ-CE2 3.88Å; F37-Y105 AromaticContact CZ-CZ 3.77Å; Y53-Y105 WeakPolarHBondContact O-CA 3.39Å; R54-Y105 HydrophobicContact CB-CD1 4.24Å; R54-Y105 HydrophobicContact CB-CE1 4.07Å; R54-Y105 HydrophobicContact CG-CE1 4.19Å; R54-Y105 HydrophobicContact CG-CE2 4.34Å; L64-Y105 HydrophobicContact CD1-CD1 3.94Å; L64-Y105 HydrophobicContact CD1-CE1 3.65Å; L92-Y105 HydrophobicContact CD2-CD1 3.76Å; L92-Y105 HydrophobicContact CD2-CE1 4.09Å; I94-Y105 HydrophobicContact CD1-CD1 4.41Å; I94-Y105 HydrophobicContact CD1-CE1 3.47Å; I94-Y105 VanDerWaalsContact CD1-CE1 3.47Å; D101-Y105 WeakPolarHBondContact O-CE2 3.24Å; D101-Y105 PolarHBondContact O-OH 3.42Å; G103-Y105 WeakPolarHBondContact O-CD2 3.22Å
106	F	96.7	Very high	95.8	Very high	56 Å²	56	59.2 Å²	59.2	25%	0.246	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.2	176.5	61.6	-88.8	0	0	0	112.3	Q24 Y53 Q55 P61 I104	Q24-F106 VanDerWaalsContact OE1-CA 3.27Å; Y53-F106 VanDerWaalsContact CB-CZ 3.46Å; Y53-F106 HydrophobicContact CD1-CE2 4.39Å; Y53-F106 HydrophobicContact CD1-CZ 4.33Å; Y53-F106 HydrophobicContact CD2-CD2 4.14Å; Y53-F106 AromaticContact CD2-CE2 3.71Å; Y53-F106 HydrophobicContact CD2-CE2 3.71Å; Y53-F106 HydrophobicContact CD2-CZ 4.39Å; Y53-F106 HydrophobicContact CG-CD2 4.28Å; Y53-F106 AromaticContact CG-CE2 3.63Å; Y53-F106 HydrophobicContact CG-CE2 3.63Å; Y53-F106 AromaticContact CG-CZ 3.84Å; Y53-F106 HydrophobicContact CG-CZ 3.84Å; Y53-F106 PolarHBondContact N-O 2.86Å; Y53-F106 PolarHBondContact O-N 3.48Å; Y53-F106 VanDerWaalsContact O-N 3.16Å; Q55-F106 HydrophobicContact CB-CE1 4.05Å; P61-F106 HydrophobicContact CB-CE1 4.19Å; P61-F106 HydrophobicContact CB-CZ 3.64Å; I104-F106 HydrophobicContact CG2-CD1 4.27Å
107	C	96.9	Very high	95.7	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	155.3	173.9	69.2	0	0	0	0	110.8	Q24 C41 L50 Y51 W52	Q24-C107 PolarHBondContact OE1-SG 3Å; C41-C107 HydrophobicContact CB-CB 3.58Å; C41-C107 WeakPolarHBondContact CB-SG 3.41Å; C41-C107 WeakPolarHBondContact SG-CB 3.38Å; C41-C107 CovalentContact SG-SG 2.01Å; C41-C107 PolarHBondContact SG-SG 2.95Å; L50-C107 HydrophobicContact CD1-CB 4.41Å; L50-C107 HydrophobicContact CD2-CB 4.32Å; L50-C107 HydrophobicContact CG-CB 4.44Å; Y51-C107 WeakPolarHBondContact O-CA 3.25Å; W52-C107 HydrophobicContact CD2-CB 4.34Å; W52-C107 HydrophobicContact CE3-CB 4.29Å; W52-C107 HydrophobicContact CH2-CB 4.3Å; W52-C107 HydrophobicContact CZ2-CB 4.33Å; W52-C107 HydrophobicContact CZ3-CB 4.27Å
108	T	95.3	Very high	95.6	Very high	62 Å²	62	55.1 Å²	55.1	38%	0.38	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.7	165.4	173.6	0	0	0	0	107.6	L50 Y51 Y53	L50-T108 CarbonylContact C-O 3.51Å; L50-T108 WeakPolarHBondContact CA-O 3.37Å; Y51-T108 HydrophobicContact CD2-CG2 4.21Å; Y51-T108 PolarHBondContact N-O 3.47Å; Y51-T108 PolarHBondContact O-N 3.06Å; Y51-T108 VanDerWaalsContact O-N 3.11Å; Y53-T108 HydrophobicContact CD2-CG2 3.92Å; Y53-T108 HydrophobicContact CE2-CG2 3.35Å
109	G	87.9	Confident	95.4	Very high	35 Å²	35	51.2 Å²	51.2	36%	0.361	35%	0.35	S	S	.	.			trans	-154.1	0	173.1	0	0	0	0	0	112.8	F47 P48 Q49	F47-G109 VanDerWaalsContact CD1-CA 3.41Å; P48-G109 WeakPolarHBondContact CD-OXT 3.33Å; P48-G109 VanDerWaalsContact CG-OXT 3.23Å; P48-G109 WeakPolarHBondContact CG-OXT 3.46Å; Q49-G109 CarbonylContact O-C 3.43Å; Q49-G109 WeakPolarHBondContact O-CA 3.28Å; Q49-G109 VanDerWaalsContact O-OXT 3.13Å

Retrieved 109 of 109 residues in 123.1 ms (Link to these results)

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