A0A075B5T6_MOUSE Loading...

Immunoglobulin heavy variable V10-3

AlphaFold DB , UniProt , Accession A0A075B5T6, Species MOUSE (Mus musculus, Mouse), Gene Ighv10-3, Length 119 aa.

						>A0A075B5T6_MOUSE|A0A075B5T6|Ighv10-3
MVLGLKWVFFVVFYQGVHCEVQLVESGGGLVQPKGSLKLSCAASGFTFNTYAMHWVRQAPGKGLEWVARIRSKSSNYATYYADSVKDRFTISRDDSQSMLYLQMNNLKTEDTAMYYCVR
					

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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	37.4	Very low	60.2	Low	235 Å²	235	158.9 Å²	158.9	100%	1.158	81%	0.814	S	S	*	*				0	134.4	0	-152.4	162.8	78.4	0	0	106.7
2	V	46.8	Very low	61.2	Low	131 Å²	131	153.4 Å²	153.4	79%	0.794	79%	0.793	S	S	*	*			trans	81.6	124.7	-176	-169.7	0	0	0	0	114.2
3	L	51.4	Low	61.8	Low	157 Å²	157	155.4 Å²	155.4	82%	0.822	79%	0.792	S	S	*	*			cis	-167.7	133.5	-23.5	-112.2	146.7	0	0	0	104.7
4	G	52.8	Low	61.9	Low	74 Å²	74	159.1 Å²	159.1	76%	0.763	79%	0.794	S	S	*	*			trans	-72.1	135.3	-172.8	0	0	0	0	0	114.1	K6	G4-K6 PolarHBondContact O-N 3.2Å
5	L	61.1	Low	62.1	Low	161 Å²	161	160.6 Å²	160.6	84%	0.843	80%	0.797	S	S	*	*			trans	-78.6	110.3	164.2	-109.2	78.8	0	0	0	108.9
6	K	63.2	Low	62	Low	199 Å²	199	154.3 Å²	154.3	87%	0.865	79%	0.786	S	S	*	*			trans	-79.2	124.1	165.7	-75.9	-172.9	172.4	-173.3	0	109.1	G4 V8	G4-K6 PolarHBondContact O-N 3.2Å; K6-V8 PolarHBondContact O-N 3.36Å
7	W	62.9	Low	62.2	Low	214 Å²	214	153.8 Å²	153.8	81%	0.811	79%	0.791	S	S	*	*			trans	-77.1	115.3	169.5	-73.7	81	0	0	0	109.5	F9	W7-F9 HydrophobicContact CB-CE2 4.28Å
8	V	75.5	Confident	61.9	Low	111 Å²	111	154.8 Å²	154.8	67%	0.673	79%	0.792	S	S	*	*			trans	-91.7	110.2	167.3	179.9	0	0	0	0	107.3	K6 F10	K6-V8 PolarHBondContact O-N 3.36Å; V8-F10 HydrophobicContact CG1-CD2 3.65Å; V8-F10 HydrophobicContact CG1-CE2 3.65Å; V8-F10 PolarHBondContact O-N 3.29Å
9	F	66.6	Low	62.4	Low	182 Å²	182	152.1 Å²	152.1	80%	0.798	79%	0.787	S	S	*	*			trans	-78.7	103	169.2	-74.3	-85.5	0	0	0	108.8	W7	W7-F9 HydrophobicContact CB-CE2 4.28Å
10	F	71.9	Confident	63.8	Low	178 Å²	178	151.3 Å²	151.3	78%	0.781	78%	0.779	S	S	*	*			trans	-82.8	111.4	163.9	-92.8	-89.7	0	0	0	108.6	V8 V12	V8-F10 HydrophobicContact CG1-CD2 3.65Å; V8-F10 HydrophobicContact CG1-CE2 3.65Å; V8-F10 PolarHBondContact O-N 3.29Å; F10-V12 PolarHBondContact O-N 3.09Å
11	V	73	Confident	65.1	Low	106 Å²	106	147.2 Å²	147.2	64%	0.642	76%	0.761	S	S	*	*			trans	-83.5	109.8	166.3	179	0	0	0	0	107.4	F13	V11-F13 HydrophobicContact CB-CE2 4.43Å; V11-F13 HydrophobicContact CG1-CD2 4.08Å; V11-F13 HydrophobicContact CG1-CE1 4.42Å; V11-F13 HydrophobicContact CG1-CE2 3.73Å; V11-F13 HydrophobicContact CG1-CZ 3.92Å
12	V	72.1	Confident	67.9	Low	93 Å²	93	140.6 Å²	140.6	56%	0.564	73%	0.728	S	S	*	*			trans	-90.2	107.4	171.9	-178.1	0	0	0	0	107.8	F10 Y14	F10-V12 PolarHBondContact O-N 3.09Å; V12-Y14 HydrophobicContact CB-CD2 4.37Å; V12-Y14 HydrophobicContact CB-CE2 4.05Å; V12-Y14 HydrophobicContact CG1-CD2 3.8Å; V12-Y14 HydrophobicContact CG1-CE1 4.5Å; V12-Y14 HydrophobicContact CG1-CE2 3.49Å; V12-Y14 VanDerWaalsContact CG1-CE2 3.49Å; V12-Y14 HydrophobicContact CG1-CG 4.43Å; V12-Y14 PolarHBondContact O-N 2.88Å; V12-Y14 VanDerWaalsContact O-N 3.16Å
13	F	69.3	Low	70.3	Confident	179 Å²	179	136.7 Å²	136.7	79%	0.785	70%	0.702	S	S	*	*			trans	-75.9	97.2	169.4	-70.9	-84.3	0	0	0	108.9	V11 Q15	V11-F13 HydrophobicContact CB-CE2 4.43Å; V11-F13 HydrophobicContact CG1-CD2 4.08Å; V11-F13 HydrophobicContact CG1-CE1 4.42Å; V11-F13 HydrophobicContact CG1-CE2 3.73Å; V11-F13 HydrophobicContact CG1-CZ 3.92Å; F13-Q15 PolarHBondContact O-N 2.83Å; F13-Q15 VanDerWaalsContact O-N 3.11Å
14	Y	62.6	Low	72.5	Confident	207 Å²	207	133.1 Å²	133.1	81%	0.812	69%	0.687	S	S	*	*			trans	-74.7	93.2	162.7	-72.4	-85.7	0	0	0	107.9	V12 G16	V12-Y14 HydrophobicContact CB-CD2 4.37Å; V12-Y14 HydrophobicContact CB-CE2 4.05Å; V12-Y14 HydrophobicContact CG1-CD2 3.8Å; V12-Y14 HydrophobicContact CG1-CE1 4.5Å; V12-Y14 HydrophobicContact CG1-CE2 3.49Å; V12-Y14 VanDerWaalsContact CG1-CE2 3.49Å; V12-Y14 HydrophobicContact CG1-CG 4.43Å; V12-Y14 PolarHBondContact O-N 2.88Å; V12-Y14 VanDerWaalsContact O-N 3.16Å; Y14-G16 VanDerWaalsContact C-N 3.32Å; Y14-G16 PolarHBondContact O-N 3.47Å
15	Q	65.6	Low	74.7	Confident	182 Å²	182	133 Å²	133	85%	0.85	67%	0.666	S	S	*	*			trans	-67.4	100.8	159.8	-72.2	-168.6	-37.4	0	0	106.7	F13 V17	F13-Q15 PolarHBondContact O-N 2.83Å; F13-Q15 VanDerWaalsContact O-N 3.11Å; Q15-V17 PolarHBondContact O-N 2.9Å
16	G	60.8	Low	76.5	Confident	59 Å²	59	128.3 Å²	128.3	61%	0.608	65%	0.647	S	S	*	*			trans	-55.3	128	169.5	0	0	0	0	0	108.9	Y14 H18	Y14-G16 VanDerWaalsContact C-N 3.32Å; Y14-G16 PolarHBondContact O-N 3.47Å; G16-H18 PolarHBondContact O-N 3.25Å
17	V	64	Low	78.1	Confident	146 Å²	146	120.7 Å²	120.7	89%	0.885	62%	0.624	S	S	*	*			trans	-70.7	87.6	172.6	-177.4	0	0	0	0	107	Q15 C19	Q15-V17 PolarHBondContact O-N 2.9Å; V17-C19 PolarHBondContact O-N 2.81Å
18	H	57.3	Low	79.6	Confident	172 Å²	172	113.3 Å²	113.3	80%	0.796	62%	0.615	S	S	*	*			trans	-69.2	118.5	164.2	-92.8	-82	0	0	0	107.4	G16 E20	G16-H18 PolarHBondContact O-N 3.25Å; H18-E20 PolarHBondContact O-N 2.98Å
19	C	72.2	Confident	80.6	Confident	104 Å²	104	110.7 Å²	110.7	70%	0.703	61%	0.61	S	S	*	*			trans	-74.4	74.4	169.3	-160.8	0	0	0	0	107.6	V17	V17-C19 PolarHBondContact O-N 2.81Å
20	E	89.2	Confident	81.9	Confident	135 Å²	135	111 Å²	111	63%	0.631	62%	0.619	S	S	*	*			trans	-77.9	137	175.9	-170	172.3	-168.4	0	0	109.3	H18 Q22 G45	H18-E20 PolarHBondContact O-N 2.98Å; E20-Q22 PolarHBondContact O-N 2.92Å; E20-G45 WeakPolarHBondContact O-CA 3.23Å
21	V	91.9	Very high	82.9	Confident	66 Å²	66	105.2 Å²	105.2	40%	0.4	60%	0.599	S	S	.	*			trans	-72.1	122.9	173.8	172.5	0	0	0	0	108.1	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; V21-F46 HydrophobicContact CG1-CD1 3.83Å; V21-F46 HydrophobicContact CG1-CE1 3.99Å; V21-F46 HydrophobicContact CG2-CD1 4.33Å
22	Q	95.9	Very high	83.8	Confident	97 Å²	97	107.5 Å²	107.5	45%	0.453	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	140.6	175.6	-54.3	-179.8	-21.5	0	0	110.6	E20 A43 S44	E20-Q22 PolarHBondContact O-N 2.92Å; Q22-A43 WeakPolarHBondContact O-CA 3.42Å; Q22-S44 WeakPolarHBondContact CB-OG 3.35Å; Q22-S44 PolarHBondContact N-O 2.8Å; Q22-S44 PolarHBondContact O-N 3.5Å
23	L	97.7	Very high	84.7	Confident	48 Å²	48	107.3 Å²	107.3	25%	0.251	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	119.7	172.9	-67.4	-178.4	0	0	0	106.3	A42 A43 F46 M53 C117	L23-A42 WeakPolarHBondContact CA-O 3.31Å; L23-A43 HydrophobicContact CD2-CB 3.6Å; L23-F46 HydrophobicContact CD2-CE1 4Å; L23-F46 HydrophobicContact CD2-CZ 4.09Å; L23-M53 HydrophobicContact CD1-CE 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.91Å; L23-C117 WeakPolarHBondContact CD1-O 3.43Å
24	V	97.9	Very high	85.8	Confident	83 Å²	83	106.9 Å²	106.9	50%	0.503	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	104.2	-173	-176.6	0	0	0	0	109.8	C41 A42	V24-C41 VanDerWaalsContact O-CA 3.32Å; V24-C41 WeakPolarHBondContact O-CA 3.38Å; V24-A42 PolarHBondContact N-O 3.04Å; V24-A42 PolarHBondContact O-N 3.08Å
25	E	98.5	Very high	87.5	Confident	71 Å²	71	98 Å²	98	33%	0.332	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77	144.8	178	-59.8	86	168.3	0	0	112.9	S40 C41 W55 Y116 C117	E25-S40 CarbonylContact C-O 3.5Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.43Å; E25-C41 HydrophobicContact CG-CB 4.42Å; E25-W55 HydrophobicContact CG-CH2 4.02Å; E25-W55 HydrophobicContact CG-CZ3 3.9Å; E25-Y116 VanDerWaalsContact OE1-CA 3.28Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.36Å; E25-C117 HydrophobicContact CG-CB 4.48Å; E25-C117 PolarHBondContact OE1-N 3.09Å; E25-C117 PolarHBondContact OE1-SG 3.18Å
26	S	98.3	Very high	89	Confident	63 Å²	63	92.5 Å²	92.5	44%	0.441	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-154.4	173.2	174.6	64.8	0	0	0	0	111.8	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.4Å; S26-S40 PolarHBondContact N-O 2.82Å; S26-S40 PolarHBondContact O-N 3.11Å; S26-S40 PolarHBondContact OG-OG 3.49Å
27	G	97.1	Very high	90.7	Very high	38 Å²	38	91.5 Å²	91.5	39%	0.392	53%	0.534	S	S	.	.			trans	86.4	8.9	-179.2	0	0	0	0	0	114.6	L37	G27-L37 VanDerWaalsContact O-CD1 3.27Å; G27-L37 WeakPolarHBondContact O-CD1 3.45Å; G27-L37 WeakPolarHBondContact O-CG 3.41Å
28	G	95.5	Very high	92.3	Very high	60 Å²	60	89.6 Å²	89.6	62%	0.619	51%	0.514	S	S	*	.			trans	-66.9	164.4	168.5	0	0	0	0	0	112.3
29	G	94.7	Very high	94.3	Very high	55 Å²	55	82 Å²	82	57%	0.567	48%	0.479	S	S	*	.			trans	162.2	176.2	177.1	0	0	0	0	0	113
30	L	94	Very high	95.5	Very high	188 Å²	188	77.9 Å²	77.9	98%	0.984	45%	0.452	S	S	*	.			trans	-76.9	134.2	171.8	-64.5	174.1	0	0	0	109.7
31	V	93.6	Very high	96	Very high	58 Å²	58	71.5 Å²	71.5	35%	0.352	42%	0.422	S	S	.	.			trans	-138.8	144	-179.9	62	0	0	0	0	109	L107	V31-L107 HydrophobicContact CG1-CD1 3.64Å; V31-L107 HydrophobicContact CG2-CD1 4.26Å
32	Q	91.6	Very high	96.3	Very high	154 Å²	154	70.2 Å²	70.2	72%	0.72	42%	0.418	S	S	*	.			trans	-70.1	151.3	176.3	-64.5	-66.4	7.2	0	0	110.9	K34 G35	Q32-K34 PolarHBondContact O-N 2.96Å; Q32-G35 WeakPolarHBondContact O-CA 3.13Å; Q32-G35 PolarHBondContact O-N 2.95Å
33	P	90.4	Very high	96.4	Very high	88 Å²	88	66.1 Å²	66.1	57%	0.571	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	140.9	170.9	-25.4	34.4	0	0	0	111.4	G35	P33-G35 PolarHBondContact O-N 2.7Å
34	K	94.1	Very high	96.3	Very high	171 Å²	171	66.2 Å²	66.2	74%	0.743	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	1.1	-171.3	-50.6	177.9	178	178.4	0	115.2	Q32 L107	Q32-K34 PolarHBondContact O-N 2.96Å; K34-L107 PolarHBondContact N-O 2.76Å
35	G	96.4	Very high	96.2	Very high	20 Å²	20	63.6 Å²	63.6	21%	0.206	40%	0.395	C	S	.	.			trans	-68.5	-179.2	172.8	0	0	0	0	0	112.7	Q32 P33 N106 L107	Q32-G35 WeakPolarHBondContact O-CA 3.13Å; Q32-G35 PolarHBondContact O-N 2.95Å; P33-G35 PolarHBondContact O-N 2.7Å; G35-N106 PolarHBondContact O-N 2.95Å; G35-L107 PolarHBondContact O-N 3.18Å; G35-L107 VanDerWaalsContact O-N 3.09Å
36	S	97.2	Very high	96	Very high	66 Å²	66	61.8 Å²	61.8	46%	0.462	39%	0.386	S	S	.	.			trans	-128.4	147.4	177.7	-55.9	0	0	0	0	110.7	M104 N105	S36-M104 CarbonylContact C-O 3.51Å; S36-M104 WeakPolarHBondContact CA-O 3.38Å; S36-M104 WeakPolarHBondContact CB-O 3.27Å; S36-N105 PolarHBondContact OG-OD1 3.21Å
37	L	97.1	Very high	95.9	Very high	39 Å²	39	63 Å²	63	20%	0.204	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.9	178.6	-170.5	68.8	0	0	0	109	G27 L39 M104 L107	G27-L37 VanDerWaalsContact O-CD1 3.27Å; G27-L37 WeakPolarHBondContact O-CD1 3.45Å; G27-L37 WeakPolarHBondContact O-CG 3.41Å; L37-L39 HydrophobicContact CD2-CD2 3.95Å; L37-L39 HydrophobicContact CG-CD2 4.38Å; L37-M104 HydrophobicContact CB-CE 3.74Å; L37-M104 HydrophobicContact CD2-CE 3.66Å; L37-M104 HydrophobicContact CG-CE 3.98Å; L37-M104 PolarHBondContact N-O 2.9Å; L37-M104 WeakPolarHBondContact O-CB 3.48Å; L37-M104 PolarHBondContact O-N 2.88Å; L37-L107 HydrophobicContact CB-CD1 3.74Å
38	K	98.1	Very high	95.9	Very high	105 Å²	105	61.4 Å²	61.4	46%	0.457	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.5	174.4	-175	178.3	176.3	-176.3	0	109.2	L102	K38-L102 WeakPolarHBondContact CA-O 3.45Å
39	L	98.6	Very high	95.9	Very high	12 Å²	12	61.3 Å²	61.3	6%	0.063	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.6	169.1	-54	-177.9	0	0	0	109.6	S26 L37 W55 Y101 L102 M104 Y115	S26-L39 WeakPolarHBondContact O-CA 3.4Å; L37-L39 HydrophobicContact CD2-CD2 3.95Å; L37-L39 HydrophobicContact CG-CD2 4.38Å; L39-W55 HydrophobicContact CB-CH2 3.81Å; L39-W55 HydrophobicContact CB-CZ2 4.06Å; L39-W55 HydrophobicContact CB-CZ3 4.38Å; L39-W55 HydrophobicContact CD1-CH2 4.38Å; L39-W55 HydrophobicContact CD1-CZ3 4.12Å; L39-Y101 WeakPolarHBondContact O-CA 3.22Å; L39-L102 HydrophobicContact CB-CB 4.28Å; L39-L102 HydrophobicContact CD1-CD2 4.44Å; L39-L102 PolarHBondContact N-O 2.77Å; L39-L102 PolarHBondContact O-N 2.89Å; L39-M104 HydrophobicContact CD1-CE 3.86Å; L39-M104 HydrophobicContact CD1-SD 4.06Å; L39-M104 HydrophobicContact CD2-CE 4Å; L39-M104 HydrophobicContact CG-CE 3.6Å; L39-M104 HydrophobicContact CG-SD 4.28Å; L39-Y115 VanDerWaalsContact CD1-CB 3.48Å; L39-Y115 HydrophobicContact CD1-CD1 3.92Å; L39-Y115 HydrophobicContact CD1-CD2 4.06Å; L39-Y115 HydrophobicContact CD1-CG 3.56Å
40	S	98.7	Very high	96	Very high	19 Å²	19	62.5 Å²	62.5	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.2	170.6	79.5	0	0	0	0	111	E25 S26 L100	E25-S40 CarbonylContact C-O 3.5Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.43Å; S26-S40 PolarHBondContact N-O 2.82Å; S26-S40 PolarHBondContact O-N 3.11Å; S26-S40 PolarHBondContact OG-OG 3.49Å; S40-L100 CarbonylContact C-O 3.44Å; S40-L100 VanDerWaalsContact CA-O 3.23Å; S40-L100 WeakPolarHBondContact CA-O 3.39Å
41	C	98.7	Very high	96.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	117.7	176.5	161.8	0	0	0	0	109.3	V24 E25 W55 M99 L100 C117	V24-C41 VanDerWaalsContact O-CA 3.32Å; V24-C41 WeakPolarHBondContact O-CA 3.38Å; E25-C41 HydrophobicContact CG-CB 4.42Å; C41-W55 HydrophobicContact CB-CH2 3.93Å; C41-W55 HydrophobicContact CB-CZ2 3.93Å; C41-M99 WeakPolarHBondContact O-CA 3.48Å; C41-L100 HydrophobicContact CB-CB 4.17Å; C41-L100 PolarHBondContact N-O 3.24Å; C41-L100 PolarHBondContact O-N 2.79Å; C41-C117 HydrophobicContact CB-CB 3.47Å; C41-C117 VanDerWaalsContact CB-CB 3.47Å; C41-C117 WeakPolarHBondContact CB-SG 3.29Å; C41-C117 WeakPolarHBondContact SG-CB 3.25Å; C41-C117 CovalentContact SG-SG 2.02Å; C41-C117 PolarHBondContact SG-SG 3.14Å
42	A	98.4	Very high	96.3	Very high	40 Å²	40	56.2 Å²	56.2	33%	0.331	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126	174.4	0	0	0	0	0	109.4	L23 V24 M99	L23-A42 WeakPolarHBondContact CA-O 3.31Å; V24-A42 PolarHBondContact N-O 3.04Å; V24-A42 PolarHBondContact O-N 3.08Å; A42-M99 VanDerWaalsContact CA-SD 3.55Å; A42-M99 HydrophobicContact CB-SD 3.62Å
43	A	98	Very high	96.6	Very high	10 Å²	10	48.9 Å²	48.9	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135	-178.9	0	0	0	0	0	111.7	Q22 L23 F46 F48 S98	Q22-A43 WeakPolarHBondContact O-CA 3.42Å; L23-A43 HydrophobicContact CD2-CB 3.6Å; A43-F46 HydrophobicContact CB-CE1 3.84Å; A43-F46 HydrophobicContact CB-CZ 3.66Å; A43-F48 HydrophobicContact CB-CD2 3.52Å; A43-F48 HydrophobicContact CB-CE2 3.84Å; A43-F48 HydrophobicContact CB-CG 4.5Å; A43-S98 PolarHBondContact N-O 2.77Å; A43-S98 WeakPolarHBondContact O-CB 3.49Å
44	S	96.4	Very high	97	Very high	51 Å²	51	46.9 Å²	46.9	36%	0.357	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166	175.6	72.9	0	0	0	0	111.3	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; Q22-S44 WeakPolarHBondContact CB-OG 3.35Å; Q22-S44 PolarHBondContact N-O 2.8Å; Q22-S44 PolarHBondContact O-N 3.5Å; S44-F46 VanDerWaalsContact O-CD1 3.3Å; S44-F46 WeakPolarHBondContact O-CD1 3.32Å
45	G	94.8	Very high	97.2	Very high	27 Å²	27	38.8 Å²	38.8	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	83.3	6.9	-179.6	0	0	0	0	0	115.5	E20	E20-G45 WeakPolarHBondContact O-CA 3.23Å
46	F	94.3	Very high	97.3	Very high	33 Å²	33	39 Å²	39	15%	0.145	23%	0.227	C	C	.	.	S	Bend	trans	-157.8	165.3	175	65.1	-82.1	0	0	0	113.4	V21 L23 A43 S44 F48 Y51 M53 R119	V21-F46 HydrophobicContact CG1-CD1 3.83Å; V21-F46 HydrophobicContact CG1-CE1 3.99Å; V21-F46 HydrophobicContact CG2-CD1 4.33Å; L23-F46 HydrophobicContact CD2-CE1 4Å; L23-F46 HydrophobicContact CD2-CZ 4.09Å; A43-F46 HydrophobicContact CB-CE1 3.84Å; A43-F46 HydrophobicContact CB-CZ 3.66Å; S44-F46 VanDerWaalsContact O-CD1 3.3Å; S44-F46 WeakPolarHBondContact O-CD1 3.32Å; F46-F48 HydrophobicContact CE2-CB 4.21Å; F46-F48 AromaticContact CE2-CD2 3.96Å; F46-F48 HydrophobicContact CE2-CD2 3.96Å; F46-F48 AromaticContact CZ-CD2 3.99Å; F46-F48 HydrophobicContact CZ-CD2 3.99Å; F46-F48 PolarHBondContact O-N 2.86Å; F46-Y51 HydrophobicContact CB-CE2 4.45Å; F46-Y51 AromaticContact CD2-CD2 3.65Å; F46-Y51 HydrophobicContact CD2-CD2 3.65Å; F46-Y51 HydrophobicContact CD2-CE2 4.04Å; F46-Y51 HydrophobicContact CD2-CG 4.25Å; F46-Y51 HydrophobicContact CE2-CD2 4.19Å; F46-Y51 HydrophobicContact CE2-CG 4.41Å; F46-M53 HydrophobicContact CE2-SD 4.33Å; F46-M53 HydrophobicContact CZ-SD 4.2Å; F46-R119 VanDerWaalsContact CD2-CD 3.46Å; F46-R119 VanDerWaalsContact CD2-NH1 3.28Å; F46-R119 HydrophobicContact CE2-CG 4.08Å; F46-R119 HydrophobicContact CZ-CG 4.3Å
47	T	95.4	Very high	97.4	Very high	88 Å²	88	36.5 Å²	36.5	54%	0.54	21%	0.207	S	C	.	.			trans	-73	87.2	175	-46.9	0	0	0	0	110.8	N49 T50 Y51	T47-N49 VanDerWaalsContact C-N 3.3Å; T47-N49 WeakPolarHBondContact CG2-OD1 3.34Å; T47-N49 PolarHBondContact O-N 2.97Å; T47-N49 VanDerWaalsContact O-N 3.15Å; T47-T50 HydrophobicContact CG2-CG2 3.84Å; T47-T50 PolarHBondContact O-N 3.15Å; T47-T50 PolarHBondContact O-OG1 3.36Å; T47-Y51 WeakPolarHBondContact O-CD2 3.29Å
48	F	96.9	Very high	97.4	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.026	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-50	-44.1	-171.3	180	-103.9	0	0	0	114.7	A43 F46 T50 Y51 M53 R93 D95 L100	A43-F48 HydrophobicContact CB-CD2 3.52Å; A43-F48 HydrophobicContact CB-CE2 3.84Å; A43-F48 HydrophobicContact CB-CG 4.5Å; F46-F48 HydrophobicContact CE2-CB 4.21Å; F46-F48 AromaticContact CE2-CD2 3.96Å; F46-F48 HydrophobicContact CE2-CD2 3.96Å; F46-F48 AromaticContact CZ-CD2 3.99Å; F46-F48 HydrophobicContact CZ-CD2 3.99Å; F46-F48 PolarHBondContact O-N 2.86Å; F48-T50 PolarHBondContact O-N 3.05Å; F48-T50 VanDerWaalsContact O-N 3.15Å; F48-Y51 PolarHBondContact O-N 2.86Å; F48-M53 HydrophobicContact CD2-CG 4.36Å; F48-M53 HydrophobicContact CD2-SD 4.15Å; F48-M53 HydrophobicContact CE2-CE 4.08Å; F48-M53 HydrophobicContact CE2-CG 3.63Å; F48-M53 HydrophobicContact CE2-SD 3.82Å; F48-M53 HydrophobicContact CZ-CG 4.04Å; F48-R93 VanDerWaalsContact CD1-NH2 3.27Å; F48-R93 HydrophobicContact CE1-CB 4.06Å; F48-R93 VanDerWaalsContact CE1-NH2 3.3Å; F48-R93 HydrophobicContact CZ-CB 4.18Å; F48-R93 PolarHBondContact O-NH2 3.31Å; F48-D95 WeakPolarHBondContact CD1-OD1 3.5Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.31Å; F48-L100 HydrophobicContact CZ-CB 4.25Å
49	N	96.3	Very high	97.4	Very high	58 Å²	58	34 Å²	34	31%	0.31	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.3	-17.5	-174.5	72.8	12.3	0	0	0	115.4	T47 S72 K73 D95	T47-N49 VanDerWaalsContact C-N 3.3Å; T47-N49 WeakPolarHBondContact CG2-OD1 3.34Å; T47-N49 PolarHBondContact O-N 2.97Å; T47-N49 VanDerWaalsContact O-N 3.15Å; N49-S72 WeakPolarHBondContact O-CB 3.46Å; N49-K73 PolarHBondContact O-N 3.29Å; N49-K73 VanDerWaalsContact O-N 3.08Å; N49-D95 HydrophobicContact CB-CB 3.93Å
50	T	96.4	Very high	97.2	Very high	79 Å²	79	38.9 Å²	38.9	49%	0.485	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-90.5	-15.3	-179	63.1	0	0	0	0	113.1	T47 F48 S72	T47-T50 HydrophobicContact CG2-CG2 3.84Å; T47-T50 PolarHBondContact O-N 3.15Å; T47-T50 PolarHBondContact O-OG1 3.36Å; F48-T50 PolarHBondContact O-N 3.05Å; F48-T50 VanDerWaalsContact O-N 3.15Å; T50-S72 VanDerWaalsContact C-CB 3.48Å; T50-S72 VanDerWaalsContact O-CB 3.26Å; T50-S72 WeakPolarHBondContact O-CB 3.39Å
51	Y	96.9	Very high	97.1	Very high	97 Å²	97	42.5 Å²	42.5	38%	0.38	27%	0.271	S	S	.	.	S	Bend	trans	-100.2	147.3	-178.9	-70	-97.9	0	0	0	112	F46 T47 F48 R93 R119	F46-Y51 HydrophobicContact CB-CE2 4.45Å; F46-Y51 AromaticContact CD2-CD2 3.65Å; F46-Y51 HydrophobicContact CD2-CD2 3.65Å; F46-Y51 HydrophobicContact CD2-CE2 4.04Å; F46-Y51 HydrophobicContact CD2-CG 4.25Å; F46-Y51 HydrophobicContact CE2-CD2 4.19Å; F46-Y51 HydrophobicContact CE2-CG 4.41Å; T47-Y51 WeakPolarHBondContact O-CD2 3.29Å; F48-Y51 PolarHBondContact O-N 2.86Å; Y51-R93 PolarHBondContact O-NH1 3.44Å; Y51-R119 HydrophobicContact CD1-CG 3.53Å; Y51-R119 HydrophobicContact CE1-CG 4.43Å; Y51-R119 VanDerWaalsContact CG-CD 3.42Å; Y51-R119 HydrophobicContact CG-CG 3.67Å
52	A	98	Very high	96.9	Very high	18 Å²	18	48.4 Å²	48.4	15%	0.149	30%	0.297	C	S	.	.			trans	-71.1	152.2	161.6	0	0	0	0	0	108.8	I70	A52-I70 CarbonylContact C-O 3.44Å; A52-I70 WeakPolarHBondContact CA-O 3.29Å
53	M	98.4	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.4	176.4	-63.5	-60.2	-60	0	0	109.3	L23 F46 F48 R69 I70 L100 V118 R119	L23-M53 HydrophobicContact CD1-CE 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.91Å; F46-M53 HydrophobicContact CE2-SD 4.33Å; F46-M53 HydrophobicContact CZ-SD 4.2Å; F48-M53 HydrophobicContact CD2-CG 4.36Å; F48-M53 HydrophobicContact CD2-SD 4.15Å; F48-M53 HydrophobicContact CE2-CE 4.08Å; F48-M53 HydrophobicContact CE2-CG 3.63Å; F48-M53 HydrophobicContact CE2-SD 3.82Å; F48-M53 HydrophobicContact CZ-CG 4.04Å; M53-R69 CarbonylContact O-C 3.58Å; M53-R69 VanDerWaalsContact O-CA 3.28Å; M53-R69 WeakPolarHBondContact O-CA 3.36Å; M53-I70 HydrophobicContact CB-CG2 3.99Å; M53-I70 PolarHBondContact N-O 3Å; M53-I70 PolarHBondContact O-N 3.09Å; M53-L100 HydrophobicContact CB-CD1 3.67Å; M53-L100 HydrophobicContact CB-CD2 3.83Å; M53-L100 HydrophobicContact CB-CG 4.32Å; M53-L100 HydrophobicContact CE-CD2 4.29Å; M53-L100 HydrophobicContact CG-CD1 4.32Å; M53-V118 CarbonylContact C-O 3.57Å; M53-V118 WeakPolarHBondContact CA-O 3.46Å; M53-R119 HydrophobicContact CE-CB 4.29Å; M53-R119 HydrophobicContact SD-CB 3.9Å; M53-R119 HydrophobicContact SD-CG 3.94Å
54	H	98.6	Very high	96.7	Very high	45 Å²	45	54.3 Å²	54.3	21%	0.208	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148	-173.6	-65.3	-111.5	0	0	0	109.9	W66 A68 R69 C117 V118	H54-W66 AromaticContact ND1-CD1 3.76Å; H54-W66 AromaticContact ND1-NE1 3.26Å; H54-W66 PolarHBondContact ND1-NE1 2.9Å; H54-A68 CarbonylContact C-O 3.53Å; H54-A68 VanDerWaalsContact CA-O 3.31Å; H54-A68 WeakPolarHBondContact CA-O 3.48Å; H54-R69 WeakPolarHBondContact CE1-CD 3.46Å; H54-C117 CarbonylContact O-C 3.56Å; H54-C117 VanDerWaalsContact O-CA 3.31Å; H54-C117 WeakPolarHBondContact O-CA 3.41Å; H54-V118 HydrophobicContact CB-CB 4.27Å; H54-V118 PolarHBondContact N-O 3.33Å; H54-V118 PolarHBondContact O-N 2.93Å
55	W	98.7	Very high	96.8	Very high	1 Å²	1	55 Å²	55	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.5	159.2	-78	99.9	0	0	0	108.8	E25 L39 C41 V67 A68 L100 L102 Y116 C117	E25-W55 HydrophobicContact CG-CH2 4.02Å; E25-W55 HydrophobicContact CG-CZ3 3.9Å; L39-W55 HydrophobicContact CB-CH2 3.81Å; L39-W55 HydrophobicContact CB-CZ2 4.06Å; L39-W55 HydrophobicContact CB-CZ3 4.38Å; L39-W55 HydrophobicContact CD1-CH2 4.38Å; L39-W55 HydrophobicContact CD1-CZ3 4.12Å; C41-W55 HydrophobicContact CB-CH2 3.93Å; C41-W55 HydrophobicContact CB-CZ2 3.93Å; W55-V67 HydrophobicContact CB-CB 4.11Å; W55-V67 HydrophobicContact CB-CG1 4.48Å; W55-V67 WeakPolarHBondContact O-CB 3.39Å; W55-V67 PolarHBondContact O-N 3.32Å; W55-A68 PolarHBondContact N-O 3.21Å; W55-A68 PolarHBondContact O-N 2.98Å; W55-L100 HydrophobicContact CD2-CD2 4.46Å; W55-L100 HydrophobicContact CG-CD2 4.49Å; W55-L100 HydrophobicContact CZ2-CD2 4.25Å; W55-L100 HydrophobicContact CZ2-CG 4.49Å; W55-L100 VanDerWaalsContact NE1-CD2 3.3Å; W55-L102 HydrophobicContact CB-CD2 4.21Å; W55-L102 HydrophobicContact CD2-CB 4.23Å; W55-L102 HydrophobicContact CD2-CD2 4.18Å; W55-L102 HydrophobicContact CG-CB 4.27Å; W55-L102 HydrophobicContact CG-CD1 4.42Å; W55-L102 HydrophobicContact CG-CD2 3.94Å; W55-L102 HydrophobicContact CG-CG 4.45Å; W55-L102 HydrophobicContact CZ2-CB 4.3Å; W55-Y116 WeakPolarHBondContact CA-O 3.33Å; W55-C117 HydrophobicContact CD2-CB 4.46Å; W55-C117 HydrophobicContact CE3-CB 4.34Å; W55-C117 HydrophobicContact CH2-CB 4.22Å; W55-C117 HydrophobicContact CZ2-CB 4.34Å; W55-C117 HydrophobicContact CZ3-CB 4.21Å
56	V	98.4	Very high	97	Very high	24 Å²	24	58.5 Å²	58.5	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	174.2	-178.6	0	0	0	0	107.1	L64 E65 Y115 Y116 V118	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.74Å; V56-L64 HydrophobicContact CG1-CG 4.3Å; V56-E65 CarbonylContact C-O 3.49Å; V56-E65 WeakPolarHBondContact CA-O 3.48Å; V56-E65 WeakPolarHBondContact CG1-O 3.44Å; V56-Y115 WeakPolarHBondContact O-CA 3.32Å; V56-Y116 PolarHBondContact N-O 3.08Å; V56-Y116 PolarHBondContact O-N 2.81Å; V56-V118 HydrophobicContact CG2-CG2 4.05Å
57	R	98	Very high	97.2	Very high	15 Å²	15	57 Å²	57	6%	0.057	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.6	176.3	73.2	-178.8	-177.7	-177.9	4.6	111.9	E65 V67 D111 A113 M114 Y115	R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 2.87Å; R57-E65 PolarHBondContact N-O 2.99Å; R57-E65 IonicContact NE-OE2 2.99Å; R57-E65 PolarHBondContact NE-OE2 2.8Å; R57-E65 IonicContact NH2-OE2 3.48Å; R57-E65 PolarHBondContact NH2-OE2 2.81Å; R57-E65 PolarHBondContact O-N 2.87Å; R57-V67 HydrophobicContact CB-CG2 3.75Å; R57-V67 HydrophobicContact CG-CG2 3.54Å; R57-D111 IonicContact NH1-OD1 3.03Å; R57-D111 PolarHBondContact NH1-OD1 2.87Å; R57-A113 HydrophobicContact CB-CB 3.88Å; R57-A113 HydrophobicContact CG-CB 4.24Å; R57-M114 CarbonylContact C-O 3.6Å; R57-M114 WeakPolarHBondContact CA-O 3.35Å; R57-Y115 HydrophobicContact CB-CD1 3.8Å; R57-Y115 HydrophobicContact CB-CD2 4.37Å; R57-Y115 HydrophobicContact CB-CE1 3.71Å; R57-Y115 HydrophobicContact CB-CE2 4.28Å; R57-Y115 HydrophobicContact CB-CG 4.13Å; R57-Y115 WeakPolarHBondContact CD-OH 3.26Å; R57-Y115 HydrophobicContact CG-CE1 4.42Å
58	Q	97.9	Very high	97.3	Very high	78 Å²	78	52.8 Å²	52.8	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	108.1	173.9	-166.9	176.5	19.3	0	0	109.6	K62 L64 A113 M114 Y116	Q58-K62 WeakPolarHBondContact CG-O 3.4Å; Q58-K62 PolarHBondContact NE2-O 2.79Å; Q58-L64 HydrophobicContact CB-CD2 3.95Å; Q58-L64 HydrophobicContact CG-CD2 4.39Å; Q58-A113 WeakPolarHBondContact O-CA 3.3Å; Q58-A113 WeakPolarHBondContact O-CB 3.45Å; Q58-M114 PolarHBondContact N-O 3.11Å; Q58-M114 PolarHBondContact O-N 3.19Å; Q58-Y116 HydrophobicContact CB-CE2 4.14Å
59	A	96.9	Very high	97.4	Very high	13 Å²	13	54.7 Å²	54.7	11%	0.107	31%	0.311	C	S	.	.			trans	-76.8	153.1	172.1	0	0	0	0	0	110.4	G61 K62 A113	A59-G61 PolarHBondContact O-N 2.81Å; A59-K62 HydrophobicContact CB-CB 4.15Å; A59-K62 HydrophobicContact CB-CD 4.04Å; A59-K62 HydrophobicContact CB-CG 4.17Å; A59-K62 PolarHBondContact O-N 3.1Å; A59-A113 HydrophobicContact CB-CB 4.28Å
60	P	95.7	Very high	97.5	Very high	114 Å²	114	52.3 Å²	52.3	74%	0.74	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	125.2	177.4	-25.8	34.6	0	0	0	111.9	K62	P60-K62 PolarHBondContact O-N 2.98Å
61	G	96.1	Very high	97.6	Very high	95 Å²	95	52.9 Å²	52.9	98%	0.979	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	7.4	-179.4	0	0	0	0	0	115.7	A59	A59-G61 PolarHBondContact O-N 2.81Å
62	K	95.2	Very high	97.6	Very high	125 Å²	125	48.7 Å²	48.7	54%	0.543	28%	0.276	S	S	.	.	S	Bend	trans	-111.7	162.6	176	-61.3	-163.7	-177.8	179	0	112.1	Q58 A59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.4Å; Q58-K62 PolarHBondContact NE2-O 2.79Å; A59-K62 HydrophobicContact CB-CB 4.15Å; A59-K62 HydrophobicContact CB-CD 4.04Å; A59-K62 HydrophobicContact CB-CG 4.17Å; A59-K62 PolarHBondContact O-N 3.1Å; P60-K62 PolarHBondContact O-N 2.98Å
63	G	95.4	Very high	97.5	Very high	55 Å²	55	53.7 Å²	53.7	57%	0.567	29%	0.294	S	S	*	.			trans	-69.3	178.3	169.5	0	0	0	0	0	112.6
64	L	97	Very high	97.4	Very high	119 Å²	119	58.6 Å²	58.6	62%	0.623	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.3	172.6	-69.8	165.9	0	0	0	110.3	V56 Q58 Y116	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.74Å; V56-L64 HydrophobicContact CG1-CG 4.3Å; Q58-L64 HydrophobicContact CB-CD2 3.95Å; Q58-L64 HydrophobicContact CG-CD2 4.39Å; L64-Y116 HydrophobicContact CD2-CD2 4.42Å
65	E	97.9	Very high	97.3	Very high	64 Å²	64	59 Å²	59	30%	0.299	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.7	176	-67.7	178.8	-176.2	0	0	109.4	V56 R57	V56-E65 CarbonylContact C-O 3.49Å; V56-E65 WeakPolarHBondContact CA-O 3.48Å; V56-E65 WeakPolarHBondContact CG1-O 3.44Å; R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 2.87Å; R57-E65 PolarHBondContact N-O 2.99Å; R57-E65 IonicContact NE-OE2 2.99Å; R57-E65 PolarHBondContact NE-OE2 2.8Å; R57-E65 IonicContact NH2-OE2 3.48Å; R57-E65 PolarHBondContact NH2-OE2 2.81Å; R57-E65 PolarHBondContact O-N 2.87Å
66	W	98.3	Very high	97.2	Very high	101 Å²	101	65.9 Å²	65.9	38%	0.383	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.8	172.5	177.5	77.6	0	0	0	110.4	H54 A68 R69 A82	H54-W66 AromaticContact ND1-CD1 3.76Å; H54-W66 AromaticContact ND1-NE1 3.26Å; H54-W66 PolarHBondContact ND1-NE1 2.9Å; W66-A68 PolarHBondContact NE1-O 3.04Å; W66-A68 VanDerWaalsContact NE1-O 3.12Å; W66-R69 HydrophobicContact CZ2-CB 3.63Å; W66-A82 HydrophobicContact CE3-CB 3.91Å; W66-A82 HydrophobicContact CZ3-CB 4Å; W66-A82 VanDerWaalsContact O-CB 3.26Å; W66-A82 WeakPolarHBondContact O-CB 3.36Å
67	V	98.5	Very high	97.2	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.006	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-54.6	-174.2	177.7	0	0	0	0	111.7	W55 R57 A82 V85 F89 L102 Y115	W55-V67 HydrophobicContact CB-CB 4.11Å; W55-V67 HydrophobicContact CB-CG1 4.48Å; W55-V67 WeakPolarHBondContact O-CB 3.39Å; W55-V67 PolarHBondContact O-N 3.32Å; R57-V67 HydrophobicContact CB-CG2 3.75Å; R57-V67 HydrophobicContact CG-CG2 3.54Å; V67-A82 PolarHBondContact O-N 2.9Å; V67-V85 HydrophobicContact CG1-CG1 4.36Å; V67-V85 HydrophobicContact CG1-CG2 3.96Å; V67-V85 WeakPolarHBondContact O-CG2 3.16Å; V67-F89 HydrophobicContact CG1-CD2 3.84Å; V67-F89 HydrophobicContact CG1-CE2 4.2Å; V67-L102 HydrophobicContact CG1-CD2 4.2Å; V67-Y115 HydrophobicContact CG1-CE1 4.42Å; V67-Y115 HydrophobicContact CG2-CD1 4.49Å; V67-Y115 HydrophobicContact CG2-CE1 4.11Å
68	A	98.6	Very high	97.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	161.2	-176.6	0	0	0	0	0	111.7	H54 W55 W66 Y80 Y81 I91 L102	H54-A68 CarbonylContact C-O 3.53Å; H54-A68 VanDerWaalsContact CA-O 3.31Å; H54-A68 WeakPolarHBondContact CA-O 3.48Å; W55-A68 PolarHBondContact N-O 3.21Å; W55-A68 PolarHBondContact O-N 2.98Å; W66-A68 PolarHBondContact NE1-O 3.04Å; W66-A68 VanDerWaalsContact NE1-O 3.12Å; A68-Y80 CarbonylContact C-O 3.56Å; A68-Y80 WeakPolarHBondContact CA-O 3.38Å; A68-Y81 HydrophobicContact CB-CD1 3.8Å; A68-Y81 HydrophobicContact CB-CE1 4.11Å; A68-I91 HydrophobicContact CB-CB 4.08Å; A68-I91 HydrophobicContact CB-CD1 4.02Å; A68-I91 HydrophobicContact CB-CG2 4.22Å; A68-L102 HydrophobicContact CB-CD1 4.3Å
69	R	98.6	Very high	97.2	Very high	46 Å²	46	69 Å²	69	17%	0.174	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.7	173.5	178.2	-177	71.6	-171.5	-5	109.9	M53 H54 W66 R71 T79 Y80	M53-R69 CarbonylContact O-C 3.58Å; M53-R69 VanDerWaalsContact O-CA 3.28Å; M53-R69 WeakPolarHBondContact O-CA 3.36Å; H54-R69 WeakPolarHBondContact CE1-CD 3.46Å; W66-R69 HydrophobicContact CZ2-CB 3.63Å; R69-R71 VanDerWaalsContact CZ-NE 3.35Å; R69-T79 CarbonylContact O-C 3.58Å; R69-T79 VanDerWaalsContact O-CA 3.24Å; R69-T79 WeakPolarHBondContact O-CA 3.45Å; R69-Y80 PolarHBondContact N-O 2.89Å; R69-Y80 VanDerWaalsContact NH2-CZ 3.3Å; R69-Y80 PolarHBondContact O-N 3.34Å
70	I	98.7	Very high	97.3	Very high	8 Å²	8	73.5 Å²	73.5	4%	0.041	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.2	164.9	-172.3	159.3	0	0	0	108.6	A52 M53 T79 I91 R93 L100	A52-I70 CarbonylContact C-O 3.44Å; A52-I70 WeakPolarHBondContact CA-O 3.29Å; M53-I70 HydrophobicContact CB-CG2 3.99Å; M53-I70 PolarHBondContact N-O 3Å; M53-I70 PolarHBondContact O-N 3.09Å; I70-T79 HydrophobicContact CB-CG2 4.29Å; I70-T79 HydrophobicContact CD1-CG2 4.04Å; I70-T79 HydrophobicContact CG1-CG2 3.99Å; I70-I91 HydrophobicContact CB-CD1 3.98Å; I70-I91 HydrophobicContact CB-CG1 4.17Å; I70-I91 HydrophobicContact CB-CG2 4.08Å; I70-I91 HydrophobicContact CG2-CD1 3.76Å; I70-I91 HydrophobicContact CG2-CG1 4.04Å; I70-R93 HydrophobicContact CD1-CB 4.24Å; I70-R93 HydrophobicContact CD1-CG 3.66Å; I70-R93 HydrophobicContact CG1-CG 4.34Å; I70-L100 HydrophobicContact CG2-CD1 3.57Å
71	R	98.1	Very high	97.4	Very high	91 Å²	91	70.9 Å²	70.9	34%	0.343	39%	0.385	S	S	.	.			trans	-70.9	169.1	177.9	-70.1	-73.1	-165.7	168.6	4.5	111.4	R69 A78 Y80 R93	R69-R71 VanDerWaalsContact CZ-NE 3.35Å; R71-A78 HydrophobicContact CB-CB 4.39Å; R71-A78 HydrophobicContact CG-CB 4.14Å; R71-A78 WeakPolarHBondContact CG-O 3.31Å; R71-A78 PolarHBondContact N-O 3.3Å; R71-Y80 HydrophobicContact CG-CE2 4.25Å; R71-R93 PolarHBondContact O-NH1 3.04Å
72	S	97.5	Very high	97.5	Very high	9 Å²	9	67 Å²	67	6%	0.063	34%	0.344	C	S	.	.			trans	-67	170.7	173.9	61	0	0	0	0	112.2	N49 T50 S74 S75 Y77	N49-S72 WeakPolarHBondContact O-CB 3.46Å; T50-S72 VanDerWaalsContact C-CB 3.48Å; T50-S72 VanDerWaalsContact O-CB 3.26Å; T50-S72 WeakPolarHBondContact O-CB 3.39Å; S72-S74 VanDerWaalsContact C-N 3.29Å; S72-S74 PolarHBondContact O-N 3.4Å; S72-S74 PolarHBondContact OG-OG 3.12Å; S72-S74 VanDerWaalsContact OG-OG 3.09Å; S72-S75 PolarHBondContact O-N 2.61Å; S72-S75 VanDerWaalsContact O-N 3.11Å; S72-Y77 PolarHBondContact O-N 2.82Å
73	K	94.7	Very high	97.6	Very high	123 Å²	123	68 Å²	68	54%	0.535	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.1	-39.8	176.1	-178.1	169.7	-173.5	175.1	0	113	N49 S75 N76 Y77	N49-K73 PolarHBondContact O-N 3.29Å; N49-K73 VanDerWaalsContact O-N 3.08Å; K73-S75 PolarHBondContact O-N 2.86Å; K73-N76 PolarHBondContact O-N 3.38Å; K73-Y77 HydrophobicContact CB-CE1 3.86Å; K73-Y77 WeakPolarHBondContact CB-OH 3.47Å; K73-Y77 WeakPolarHBondContact CD-OH 2.97Å; K73-Y77 HydrophobicContact CG-CE1 4.38Å; K73-Y77 HydrophobicContact CG-CE2 4.22Å; K73-Y77 VanDerWaalsContact CG-OH 3.26Å; K73-Y77 WeakPolarHBondContact CG-OH 3.03Å
74	S	96.1	Very high	97.7	Very high	103 Å²	103	68.3 Å²	68.3	72%	0.72	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.6	179.7	59.3	0	0	0	0	114	S72	S72-S74 VanDerWaalsContact C-N 3.29Å; S72-S74 PolarHBondContact O-N 3.4Å; S72-S74 PolarHBondContact OG-OG 3.12Å; S72-S74 VanDerWaalsContact OG-OG 3.09Å
75	S	96.6	Very high	97.7	Very high	53 Å²	53	62.7 Å²	62.7	37%	0.371	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-108	27.8	178.2	-65.4	0	0	0	0	111.9	S72 K73 Y77 A78	S72-S75 PolarHBondContact O-N 2.61Å; S72-S75 VanDerWaalsContact O-N 3.11Å; K73-S75 PolarHBondContact O-N 2.86Å; S75-Y77 PolarHBondContact O-N 3.01Å; S75-Y77 VanDerWaalsContact O-N 3.08Å; S75-A78 PolarHBondContact O-N 3.04Å
76	N	96.9	Very high	97.6	Very high	146 Å²	146	65.1 Å²	65.1	78%	0.781	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.3	177.2	-62	-32.3	0	0	0	114	K73 A78	K73-N76 PolarHBondContact O-N 3.38Å; N76-A78 PolarHBondContact O-N 3.36Å
77	Y	98	Very high	97.6	Very high	87 Å²	87	67.7 Å²	67.7	34%	0.341	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	25.2	176.6	-54	-67.3	0	0	0	115	S72 K73 S75 T79 R93 D95	S72-Y77 PolarHBondContact O-N 2.82Å; K73-Y77 HydrophobicContact CB-CE1 3.86Å; K73-Y77 WeakPolarHBondContact CB-OH 3.47Å; K73-Y77 WeakPolarHBondContact CD-OH 2.97Å; K73-Y77 HydrophobicContact CG-CE1 4.38Å; K73-Y77 HydrophobicContact CG-CE2 4.22Å; K73-Y77 VanDerWaalsContact CG-OH 3.26Å; K73-Y77 WeakPolarHBondContact CG-OH 3.03Å; S75-Y77 PolarHBondContact O-N 3.01Å; S75-Y77 VanDerWaalsContact O-N 3.08Å; Y77-T79 WeakPolarHBondContact O-CG2 3.12Å; Y77-T79 PolarHBondContact O-N 2.99Å; Y77-R93 HydrophobicContact CD1-CG 4.3Å; Y77-R93 HydrophobicContact CE1-CG 4.4Å; Y77-D95 VanDerWaalsContact CE1-OD2 3.28Å; Y77-D95 WeakPolarHBondContact CE1-OD2 3.43Å; Y77-D95 PolarHBondContact OH-OD2 2.76Å
78	A	98.2	Very high	97.5	Very high	36 Å²	36	68.9 Å²	68.9	30%	0.298	36%	0.355	S	S	.	.			trans	-54.3	127.2	-177.2	0	0	0	0	0	112.1	R71 S75 N76 Y80	R71-A78 HydrophobicContact CB-CB 4.39Å; R71-A78 HydrophobicContact CG-CB 4.14Å; R71-A78 WeakPolarHBondContact CG-O 3.31Å; R71-A78 PolarHBondContact N-O 3.3Å; S75-A78 PolarHBondContact O-N 3.04Å; N76-A78 PolarHBondContact O-N 3.36Å; A78-Y80 HydrophobicContact CB-CE2 3.96Å
79	T	98.6	Very high	97.5	Very high	61 Å²	61	69.1 Å²	69.1	37%	0.374	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.6	-176.5	58.8	0	0	0	0	112.5	R69 I70 Y77 I91	R69-T79 CarbonylContact O-C 3.58Å; R69-T79 VanDerWaalsContact O-CA 3.24Å; R69-T79 WeakPolarHBondContact O-CA 3.45Å; I70-T79 HydrophobicContact CB-CG2 4.29Å; I70-T79 HydrophobicContact CD1-CG2 4.04Å; I70-T79 HydrophobicContact CG1-CG2 3.99Å; Y77-T79 WeakPolarHBondContact O-CG2 3.12Å; Y77-T79 PolarHBondContact O-N 2.99Å; T79-I91 HydrophobicContact CG2-CG2 3.71Å
80	Y	98.4	Very high	97.5	Very high	107 Å²	107	70.2 Å²	70.2	42%	0.42	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.6	177.4	-58.3	-99.8	0	0	0	108.8	A68 R69 R71 A78	A68-Y80 CarbonylContact C-O 3.56Å; A68-Y80 WeakPolarHBondContact CA-O 3.38Å; R69-Y80 PolarHBondContact N-O 2.89Å; R69-Y80 VanDerWaalsContact NH2-CZ 3.3Å; R69-Y80 PolarHBondContact O-N 3.34Å; R71-Y80 HydrophobicContact CG-CE2 4.25Å; A78-Y80 HydrophobicContact CB-CE2 3.96Å
81	Y	98.6	Very high	97.5	Very high	58 Å²	58	70.1 Å²	70.1	23%	0.227	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.1	-176.2	-59	-86.3	0	0	0	110.4	A68 F89 I91	A68-Y81 HydrophobicContact CB-CD1 3.8Å; A68-Y81 HydrophobicContact CB-CE1 4.11Å; Y81-F89 VanDerWaalsContact CE1-O 3.31Å; Y81-F89 WeakPolarHBondContact CE1-O 3.42Å; Y81-I91 HydrophobicContact CE1-CB 4.24Å; Y81-I91 HydrophobicContact CE1-CG2 3.86Å; Y81-I91 PolarHBondContact OH-N 3.31Å; Y81-I91 VanDerWaalsContact OH-N 3.09Å
82	A	98.2	Very high	97.5	Very high	15 Å²	15	68.2 Å²	68.2	12%	0.124	37%	0.368	C	S	.	.			trans	-70.2	146.1	168.3	0	0	0	0	0	110.2	W66 V67 S84 V85 K86	W66-A82 HydrophobicContact CE3-CB 3.91Å; W66-A82 HydrophobicContact CZ3-CB 4Å; W66-A82 VanDerWaalsContact O-CB 3.26Å; W66-A82 WeakPolarHBondContact O-CB 3.36Å; V67-A82 PolarHBondContact O-N 2.9Å; A82-S84 PolarHBondContact O-N 2.02Å; A82-S84 VanDerWaalsContact O-N 3.12Å; A82-V85 HydrophobicContact CB-CG2 4.26Å; A82-V85 WeakPolarHBondContact O-CG2 3.39Å; A82-V85 PolarHBondContact O-N 2.9Å; A82-K86 PolarHBondContact O-N 2.8Å
83	D	97.8	Very high	97.6	Very high	145 Å²	145	69.3 Å²	69.3	78%	0.775	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-31	-176.5	-66.9	-33.1	0	0	0	112.9	V85	D83-V85 VanDerWaalsContact C-N 3.26Å; D83-V85 PolarHBondContact O-N 2.83Å
84	S	96.3	Very high	97.7	Very high	62 Å²	62	65.6 Å²	65.6	43%	0.434	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.7	179	59	0	0	0	0	114.3	A82 R88	A82-S84 PolarHBondContact O-N 2.02Å; A82-S84 VanDerWaalsContact O-N 3.12Å; S84-R88 PolarHBondContact O-NH2 3.25Å
85	V	97.5	Very high	97.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-3.9	-175.8	-57.1	0	0	0	0	113.4	V67 A82 D83 D87 R88 F89	V67-V85 HydrophobicContact CG1-CG1 4.36Å; V67-V85 HydrophobicContact CG1-CG2 3.96Å; V67-V85 WeakPolarHBondContact O-CG2 3.16Å; A82-V85 HydrophobicContact CB-CG2 4.26Å; A82-V85 WeakPolarHBondContact O-CG2 3.39Å; A82-V85 PolarHBondContact O-N 2.9Å; D83-V85 VanDerWaalsContact C-N 3.26Å; D83-V85 PolarHBondContact O-N 2.83Å; V85-D87 PolarHBondContact O-N 3.03Å; V85-R88 PolarHBondContact O-N 2.82Å; V85-R88 VanDerWaalsContact O-N 3.08Å; V85-F89 HydrophobicContact CB-CB 4.13Å; V85-F89 HydrophobicContact CB-CD1 4.28Å; V85-F89 HydrophobicContact CB-CD2 3.55Å; V85-F89 HydrophobicContact CB-CE2 3.94Å; V85-F89 HydrophobicContact CB-CG 3.73Å; V85-F89 HydrophobicContact CB-CZ 4.44Å; V85-F89 HydrophobicContact CG1-CD2 3.64Å; V85-F89 HydrophobicContact CG1-CE2 3.5Å; V85-F89 VanDerWaalsContact CG1-CE2 3.5Å; V85-F89 HydrophobicContact CG1-CG 4.25Å; V85-F89 HydrophobicContact CG1-CZ 3.98Å; V85-F89 HydrophobicContact CG2-CB 4.32Å; V85-F89 HydrophobicContact CG2-CD2 4.01Å; V85-F89 HydrophobicContact CG2-CG 4.34Å; V85-F89 PolarHBondContact O-N 3.11Å
86	K	96.4	Very high	97.8	Very high	116 Å²	116	64.8 Å²	64.8	50%	0.504	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	140.6	176.5	-163.9	178.2	-178.9	-177.5	0	109.9	A82 R88	A82-K86 PolarHBondContact O-N 2.8Å; K86-R88 PolarHBondContact O-N 2.91Å
87	D	96.7	Very high	97.8	Very high	154 Å²	154	63.7 Å²	63.7	82%	0.824	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-3.8	-177.6	-46.3	-42.4	0	0	0	116.1	V85	V85-D87 PolarHBondContact O-N 3.03Å
88	R	97.8	Very high	97.8	Very high	27 Å²	27	61.1 Å²	61.1	10%	0.102	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-38.3	177.4	-61.3	-171.3	-56.9	111.6	-2.8	112.7	S84 V85 K86 N105 N106 D111	S84-R88 PolarHBondContact O-NH2 3.25Å; V85-R88 PolarHBondContact O-N 2.82Å; V85-R88 VanDerWaalsContact O-N 3.08Å; K86-R88 PolarHBondContact O-N 2.91Å; R88-N105 WeakPolarHBondContact CB-O 3.28Å; R88-N105 WeakPolarHBondContact O-CB 3.48Å; R88-N105 PolarHBondContact O-N 3.12Å; R88-N106 PolarHBondContact NH1-O 2.96Å; R88-N106 VanDerWaalsContact NH1-O 3.11Å; R88-D111 IonicContact CZ-OD1 3.91Å; R88-D111 IonicContact CZ-OD2 3.35Å; R88-D111 IonicContact NH1-OD1 3.92Å; R88-D111 IonicContact NH1-OD2 2.7Å; R88-D111 PolarHBondContact NH1-OD2 2.91Å; R88-D111 IonicContact NH2-OD1 2.97Å; R88-D111 PolarHBondContact NH2-OD1 2.82Å; R88-D111 IonicContact NH2-OD2 3.15Å; R88-D111 PolarHBondContact NH2-OD2 3.49Å; R88-D111 VanDerWaalsContact NH2-OD2 3.15Å
89	F	98.3	Very high	97.9	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149.3	-177	-68.1	10.8	0	0	0	110.5	V67 Y81 V85 L102 Q103 M104 L107 D111 Y115	V67-F89 HydrophobicContact CG1-CD2 3.84Å; V67-F89 HydrophobicContact CG1-CE2 4.2Å; Y81-F89 VanDerWaalsContact CE1-O 3.31Å; Y81-F89 WeakPolarHBondContact CE1-O 3.42Å; V85-F89 HydrophobicContact CB-CB 4.13Å; V85-F89 HydrophobicContact CB-CD1 4.28Å; V85-F89 HydrophobicContact CB-CD2 3.55Å; V85-F89 HydrophobicContact CB-CE2 3.94Å; V85-F89 HydrophobicContact CB-CG 3.73Å; V85-F89 HydrophobicContact CB-CZ 4.44Å; V85-F89 HydrophobicContact CG1-CD2 3.64Å; V85-F89 HydrophobicContact CG1-CE2 3.5Å; V85-F89 VanDerWaalsContact CG1-CE2 3.5Å; V85-F89 HydrophobicContact CG1-CG 4.25Å; V85-F89 HydrophobicContact CG1-CZ 3.98Å; V85-F89 HydrophobicContact CG2-CB 4.32Å; V85-F89 HydrophobicContact CG2-CD2 4.01Å; V85-F89 HydrophobicContact CG2-CG 4.34Å; V85-F89 PolarHBondContact O-N 3.11Å; F89-L102 HydrophobicContact CB-CD1 4.25Å; F89-L102 HydrophobicContact CD2-CD1 4.47Å; F89-L102 HydrophobicContact CD2-CD2 4.12Å; F89-L102 HydrophobicContact CD2-CG 4.43Å; F89-Q103 CarbonylContact C-O 3.48Å; F89-Q103 VanDerWaalsContact CA-O 3.25Å; F89-Q103 WeakPolarHBondContact CA-O 3.34Å; F89-M104 HydrophobicContact CD1-CB 3.74Å; F89-M104 HydrophobicContact CD1-CG 3.95Å; F89-M104 HydrophobicContact CD2-CG 3.9Å; F89-M104 HydrophobicContact CD2-SD 4.32Å; F89-M104 HydrophobicContact CE1-CB 3.58Å; F89-M104 HydrophobicContact CE1-CG 3.91Å; F89-M104 HydrophobicContact CE1-SD 4.47Å; F89-M104 HydrophobicContact CE2-CB 4.42Å; F89-M104 HydrophobicContact CE2-CG 3.84Å; F89-M104 HydrophobicContact CE2-SD 3.76Å; F89-M104 HydrophobicContact CG-CB 4.27Å; F89-M104 HydrophobicContact CG-CG 3.97Å; F89-M104 HydrophobicContact CZ-CB 3.95Å; F89-M104 HydrophobicContact CZ-CG 3.86Å; F89-M104 HydrophobicContact CZ-SD 3.86Å; F89-L107 HydrophobicContact CE1-CD2 3.79Å; F89-L107 HydrophobicContact CZ-CD2 3.73Å; F89-D111 HydrophobicContact CZ-CB 4.22Å; F89-Y115 HydrophobicContact CE2-CE1 4.29Å
90	T	98.6	Very high	97.9	Very high	70 Å²	70	58 Å²	58	43%	0.429	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	118.6	177.1	-54.2	0	0	0	0	109.2	Q103	T90-Q103 PolarHBondContact N-O 2.89Å; T90-Q103 PolarHBondContact O-N 3.47Å
91	I	98.7	Very high	97.9	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135	175.3	-167.7	173.4	0	0	0	109.1	A68 I70 T79 Y81 L100 Y101 L102	A68-I91 HydrophobicContact CB-CB 4.08Å; A68-I91 HydrophobicContact CB-CD1 4.02Å; A68-I91 HydrophobicContact CB-CG2 4.22Å; I70-I91 HydrophobicContact CB-CD1 3.98Å; I70-I91 HydrophobicContact CB-CG1 4.17Å; I70-I91 HydrophobicContact CB-CG2 4.08Å; I70-I91 HydrophobicContact CG2-CD1 3.76Å; I70-I91 HydrophobicContact CG2-CG1 4.04Å; T79-I91 HydrophobicContact CG2-CG2 3.71Å; Y81-I91 HydrophobicContact CE1-CB 4.24Å; Y81-I91 HydrophobicContact CE1-CG2 3.86Å; Y81-I91 PolarHBondContact OH-N 3.31Å; Y81-I91 VanDerWaalsContact OH-N 3.09Å; I91-L100 HydrophobicContact CD1-CD1 4.07Å; I91-L100 HydrophobicContact CG1-CD1 4.01Å; I91-Y101 WeakPolarHBondContact CA-O 3.28Å; I91-L102 HydrophobicContact CB-CD1 4.19Å
92	S	98.5	Very high	97.9	Very high	52 Å²	52	51.9 Å²	51.9	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.9	174.3	69.7	0	0	0	0	110.7	Y101	S92-Y101 PolarHBondContact N-O 3.49Å; S92-Y101 PolarHBondContact O-N 3.15Å
93	R	98.3	Very high	97.9	Very high	31 Å²	31	54.1 Å²	54.1	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.8	-178.4	65.2	-169.4	-76	155.7	14.1	111.2	F48 Y51 I70 R71 Y77 D95 M99 L100	F48-R93 VanDerWaalsContact CD1-NH2 3.27Å; F48-R93 HydrophobicContact CE1-CB 4.06Å; F48-R93 VanDerWaalsContact CE1-NH2 3.3Å; F48-R93 HydrophobicContact CZ-CB 4.18Å; F48-R93 PolarHBondContact O-NH2 3.31Å; Y51-R93 PolarHBondContact O-NH1 3.44Å; I70-R93 HydrophobicContact CD1-CB 4.24Å; I70-R93 HydrophobicContact CD1-CG 3.66Å; I70-R93 HydrophobicContact CG1-CG 4.34Å; R71-R93 PolarHBondContact O-NH1 3.04Å; Y77-R93 HydrophobicContact CD1-CG 4.3Å; Y77-R93 HydrophobicContact CE1-CG 4.4Å; R93-D95 IonicContact CZ-OD1 3.25Å; R93-D95 VanDerWaalsContact CZ-OD1 3.25Å; R93-D95 IonicContact NE-OD1 2.77Å; R93-D95 PolarHBondContact NE-OD1 3.28Å; R93-D95 IonicContact NH2-OD1 2.89Å; R93-D95 PolarHBondContact NH2-OD1 3.24Å; R93-M99 CarbonylContact C-O 3.53Å; R93-M99 VanDerWaalsContact CA-O 3.29Å; R93-M99 WeakPolarHBondContact CA-O 3.24Å; R93-L100 HydrophobicContact CB-CD1 4.29Å
94	D	97.9	Very high	97.9	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.241	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	103.5	168.8	-176.7	-17.6	0	0	0	108.3	S96 Q97 S98 M99 Y101	D94-S96 PolarHBondContact O-N 3.06Å; D94-S96 WeakPolarHBondContact OD1-CA 3.28Å; D94-S96 WeakPolarHBondContact OD1-CB 3.36Å; D94-S96 PolarHBondContact OD1-N 2.95Å; D94-S96 PolarHBondContact OD1-OG 2.89Å; D94-Q97 HydrophobicContact CB-CB 4.42Å; D94-Q97 PolarHBondContact O-N 2.84Å; D94-Q97 PolarHBondContact OD1-N 2.85Å; D94-Q97 VanDerWaalsContact OD2-CD 3.29Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.26Å; D94-Q97 PolarHBondContact OD2-NE2 2.89Å; D94-S98 PolarHBondContact O-N 3.08Å; D94-M99 HydrophobicContact CB-CB 4.34Å; D94-M99 PolarHBondContact N-O 2.74Å; D94-M99 PolarHBondContact O-N 3.05Å; D94-Y101 HydrophobicContact CB-CE2 4.09Å
95	D	97.6	Very high	98	Very high	36 Å²	36	47 Å²	47	19%	0.193	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.3	-178.9	-73.1	-22.3	0	0	0	113.1	F48 N49 Y77 R93	F48-D95 WeakPolarHBondContact CD1-OD1 3.5Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.31Å; N49-D95 HydrophobicContact CB-CB 3.93Å; Y77-D95 VanDerWaalsContact CE1-OD2 3.28Å; Y77-D95 WeakPolarHBondContact CE1-OD2 3.43Å; Y77-D95 PolarHBondContact OH-OD2 2.76Å; R93-D95 IonicContact CZ-OD1 3.25Å; R93-D95 VanDerWaalsContact CZ-OD1 3.25Å; R93-D95 IonicContact NE-OD1 2.77Å; R93-D95 PolarHBondContact NE-OD1 3.28Å; R93-D95 IonicContact NH2-OD1 2.89Å; R93-D95 PolarHBondContact NH2-OD1 3.24Å
96	S	96.9	Very high	98	Very high	104 Å²	104	51.9 Å²	51.9	73%	0.727	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.1	178.5	73.8	0	0	0	0	112.3	D94	D94-S96 PolarHBondContact O-N 3.06Å; D94-S96 WeakPolarHBondContact OD1-CA 3.28Å; D94-S96 WeakPolarHBondContact OD1-CB 3.36Å; D94-S96 PolarHBondContact OD1-N 2.95Å; D94-S96 PolarHBondContact OD1-OG 2.89Å
97	Q	97.5	Very high	98	Very high	123 Å²	123	47 Å²	47	58%	0.575	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-1.9	179.8	-59.6	-176.9	15.1	0	0	113.1	D94 M99	D94-Q97 HydrophobicContact CB-CB 4.42Å; D94-Q97 PolarHBondContact O-N 2.84Å; D94-Q97 PolarHBondContact OD1-N 2.85Å; D94-Q97 VanDerWaalsContact OD2-CD 3.29Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.26Å; D94-Q97 PolarHBondContact OD2-NE2 2.89Å; Q97-M99 HydrophobicContact CB-CB 4.27Å; Q97-M99 HydrophobicContact CB-CG 3.63Å; Q97-M99 PolarHBondContact O-N 3.15Å
98	S	97.9	Very high	98	Very high	33 Å²	33	44.4 Å²	44.4	23%	0.231	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.4	-170.2	-59.2	0	0	0	0	112.5	A43 D94	A43-S98 PolarHBondContact N-O 2.77Å; A43-S98 WeakPolarHBondContact O-CB 3.49Å; D94-S98 PolarHBondContact O-N 3.08Å
99	M	98.5	Very high	97.8	Very high	30 Å²	30	48.3 Å²	48.3	15%	0.148	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.8	-176.8	-67.8	-65.9	-67.8	0	0	111.2	C41 A42 R93 D94 Q97 Y101	C41-M99 WeakPolarHBondContact O-CA 3.48Å; A42-M99 VanDerWaalsContact CA-SD 3.55Å; A42-M99 HydrophobicContact CB-SD 3.62Å; R93-M99 CarbonylContact C-O 3.53Å; R93-M99 VanDerWaalsContact CA-O 3.29Å; R93-M99 WeakPolarHBondContact CA-O 3.24Å; D94-M99 HydrophobicContact CB-CB 4.34Å; D94-M99 PolarHBondContact N-O 2.74Å; D94-M99 PolarHBondContact O-N 3.05Å; Q97-M99 HydrophobicContact CB-CB 4.27Å; Q97-M99 HydrophobicContact CB-CG 3.63Å; Q97-M99 PolarHBondContact O-N 3.15Å; M99-Y101 HydrophobicContact CB-CE1 4.23Å; M99-Y101 HydrophobicContact CB-CE2 3.78Å; M99-Y101 WeakPolarHBondContact CB-OH 3.4Å; M99-Y101 HydrophobicContact CE-CE1 3.93Å
100	L	98.8	Very high	97.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.8	167.8	-176.1	72.1	0	0	0	109.3	S40 C41 F48 M53 W55 I70 I91 R93 C117	S40-L100 CarbonylContact C-O 3.44Å; S40-L100 VanDerWaalsContact CA-O 3.23Å; S40-L100 WeakPolarHBondContact CA-O 3.39Å; C41-L100 HydrophobicContact CB-CB 4.17Å; C41-L100 PolarHBondContact N-O 3.24Å; C41-L100 PolarHBondContact O-N 2.79Å; F48-L100 HydrophobicContact CZ-CB 4.25Å; M53-L100 HydrophobicContact CB-CD1 3.67Å; M53-L100 HydrophobicContact CB-CD2 3.83Å; M53-L100 HydrophobicContact CB-CG 4.32Å; M53-L100 HydrophobicContact CE-CD2 4.29Å; M53-L100 HydrophobicContact CG-CD1 4.32Å; W55-L100 HydrophobicContact CD2-CD2 4.46Å; W55-L100 HydrophobicContact CG-CD2 4.49Å; W55-L100 HydrophobicContact CZ2-CD2 4.25Å; W55-L100 HydrophobicContact CZ2-CG 4.49Å; W55-L100 VanDerWaalsContact NE1-CD2 3.3Å; I70-L100 HydrophobicContact CG2-CD1 3.57Å; I91-L100 HydrophobicContact CD1-CD1 4.07Å; I91-L100 HydrophobicContact CG1-CD1 4.01Å; R93-L100 HydrophobicContact CB-CD1 4.29Å; L100-C117 HydrophobicContact CD2-CB 3.84Å
101	Y	98.8	Very high	97.5	Very high	37 Å²	37	51.6 Å²	51.6	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.2	177.6	-54.8	-74.6	0	0	0	111.6	L39 I91 S92 D94 M99	L39-Y101 WeakPolarHBondContact O-CA 3.22Å; I91-Y101 WeakPolarHBondContact CA-O 3.28Å; S92-Y101 PolarHBondContact N-O 3.49Å; S92-Y101 PolarHBondContact O-N 3.15Å; D94-Y101 HydrophobicContact CB-CE2 4.09Å; M99-Y101 HydrophobicContact CB-CE1 4.23Å; M99-Y101 HydrophobicContact CB-CE2 3.78Å; M99-Y101 WeakPolarHBondContact CB-OH 3.4Å; M99-Y101 HydrophobicContact CE-CE1 3.93Å
102	L	98.8	Very high	97.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	103.8	167.2	-169.9	67.5	0	0	0	108.6	K38 L39 W55 V67 A68 F89 I91 M104 Y115	K38-L102 WeakPolarHBondContact CA-O 3.45Å; L39-L102 HydrophobicContact CB-CB 4.28Å; L39-L102 HydrophobicContact CD1-CD2 4.44Å; L39-L102 PolarHBondContact N-O 2.77Å; L39-L102 PolarHBondContact O-N 2.89Å; W55-L102 HydrophobicContact CB-CD2 4.21Å; W55-L102 HydrophobicContact CD2-CB 4.23Å; W55-L102 HydrophobicContact CD2-CD2 4.18Å; W55-L102 HydrophobicContact CG-CB 4.27Å; W55-L102 HydrophobicContact CG-CD1 4.42Å; W55-L102 HydrophobicContact CG-CD2 3.94Å; W55-L102 HydrophobicContact CG-CG 4.45Å; W55-L102 HydrophobicContact CZ2-CB 4.3Å; V67-L102 HydrophobicContact CG1-CD2 4.2Å; A68-L102 HydrophobicContact CB-CD1 4.3Å; F89-L102 HydrophobicContact CB-CD1 4.25Å; F89-L102 HydrophobicContact CD2-CD1 4.47Å; F89-L102 HydrophobicContact CD2-CD2 4.12Å; F89-L102 HydrophobicContact CD2-CG 4.43Å; I91-L102 HydrophobicContact CB-CD1 4.19Å; L102-M104 HydrophobicContact CD2-CG 3.95Å; L102-M104 HydrophobicContact CD2-SD 3.87Å; L102-M104 HydrophobicContact CG-CG 3.84Å; L102-M104 HydrophobicContact CG-SD 4.39Å; L102-Y115 HydrophobicContact CD2-CD1 4.15Å; L102-Y115 HydrophobicContact CD2-CE1 4.24Å
103	Q	98.5	Very high	97.3	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.29	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.6	168.9	-179.5	62.9	38.4	0	0	108.1	F89 T90 N105	F89-Q103 CarbonylContact C-O 3.48Å; F89-Q103 VanDerWaalsContact CA-O 3.25Å; F89-Q103 WeakPolarHBondContact CA-O 3.34Å; T90-Q103 PolarHBondContact N-O 2.89Å; T90-Q103 PolarHBondContact O-N 3.47Å; Q103-N105 PolarHBondContact NE2-OD1 3.26Å
104	M	98.2	Very high	97.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.5	-179.1	-57.6	-176.5	-59.7	0	0	108.8	S36 L37 L39 F89 L102 L107 Y115	S36-M104 CarbonylContact C-O 3.51Å; S36-M104 WeakPolarHBondContact CA-O 3.38Å; S36-M104 WeakPolarHBondContact CB-O 3.27Å; L37-M104 HydrophobicContact CB-CE 3.74Å; L37-M104 HydrophobicContact CD2-CE 3.66Å; L37-M104 HydrophobicContact CG-CE 3.98Å; L37-M104 PolarHBondContact N-O 2.9Å; L37-M104 WeakPolarHBondContact O-CB 3.48Å; L37-M104 PolarHBondContact O-N 2.88Å; L39-M104 HydrophobicContact CD1-CE 3.86Å; L39-M104 HydrophobicContact CD1-SD 4.06Å; L39-M104 HydrophobicContact CD2-CE 4Å; L39-M104 HydrophobicContact CG-CE 3.6Å; L39-M104 HydrophobicContact CG-SD 4.28Å; F89-M104 HydrophobicContact CD1-CB 3.74Å; F89-M104 HydrophobicContact CD1-CG 3.95Å; F89-M104 HydrophobicContact CD2-CG 3.9Å; F89-M104 HydrophobicContact CD2-SD 4.32Å; F89-M104 HydrophobicContact CE1-CB 3.58Å; F89-M104 HydrophobicContact CE1-CG 3.91Å; F89-M104 HydrophobicContact CE1-SD 4.47Å; F89-M104 HydrophobicContact CE2-CB 4.42Å; F89-M104 HydrophobicContact CE2-CG 3.84Å; F89-M104 HydrophobicContact CE2-SD 3.76Å; F89-M104 HydrophobicContact CG-CB 4.27Å; F89-M104 HydrophobicContact CG-CG 3.97Å; F89-M104 HydrophobicContact CZ-CB 3.95Å; F89-M104 HydrophobicContact CZ-CG 3.86Å; F89-M104 HydrophobicContact CZ-SD 3.86Å; L102-M104 HydrophobicContact CD2-CG 3.95Å; L102-M104 HydrophobicContact CD2-SD 3.87Å; L102-M104 HydrophobicContact CG-CG 3.84Å; L102-M104 HydrophobicContact CG-SD 4.39Å; M104-L107 HydrophobicContact CB-CD1 4.23Å; M104-L107 HydrophobicContact CB-CD2 3.87Å; M104-L107 HydrophobicContact CB-CG 4.13Å; M104-L107 HydrophobicContact CE-CD1 4.43Å; M104-L107 HydrophobicContact CE-CD2 4.44Å; M104-L107 HydrophobicContact SD-CD2 4.33Å; M104-Y115 HydrophobicContact SD-CE1 4.12Å
105	N	97.6	Very high	97.3	Very high	54 Å²	54	57.7 Å²	57.7	29%	0.289	31%	0.308	S	S	.	.			trans	-107.9	160.4	177.6	-53.1	-49.5	0	0	0	110.3	S36 R88 Q103 L107	S36-N105 PolarHBondContact OG-OD1 3.21Å; R88-N105 WeakPolarHBondContact CB-O 3.28Å; R88-N105 WeakPolarHBondContact O-CB 3.48Å; R88-N105 PolarHBondContact O-N 3.12Å; Q103-N105 PolarHBondContact NE2-OD1 3.26Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 2.9Å
106	N	97	Very high	97.3	Very high	103 Å²	103	59.9 Å²	59.9	55%	0.551	31%	0.314	S	S	*	.	S	Bend	trans	48.1	50.2	178.5	-68.8	-16.8	0	0	0	112.3	G35 R88	G35-N106 PolarHBondContact O-N 2.95Å; R88-N106 PolarHBondContact NH1-O 2.96Å; R88-N106 VanDerWaalsContact NH1-O 3.11Å
107	L	97.1	Very high	97.4	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.068	28%	0.281	C	S	.	.			trans	-62	136.5	-177.9	-80	165.9	0	0	0	111.6	V31 K34 G35 L37 F89 M104 N105 D111	V31-L107 HydrophobicContact CG1-CD1 3.64Å; V31-L107 HydrophobicContact CG2-CD1 4.26Å; K34-L107 PolarHBondContact N-O 2.76Å; G35-L107 PolarHBondContact O-N 3.18Å; G35-L107 VanDerWaalsContact O-N 3.09Å; L37-L107 HydrophobicContact CB-CD1 3.74Å; F89-L107 HydrophobicContact CE1-CD2 3.79Å; F89-L107 HydrophobicContact CZ-CD2 3.73Å; M104-L107 HydrophobicContact CB-CD1 4.23Å; M104-L107 HydrophobicContact CB-CD2 3.87Å; M104-L107 HydrophobicContact CB-CG 4.13Å; M104-L107 HydrophobicContact CE-CD1 4.43Å; M104-L107 HydrophobicContact CE-CD2 4.44Å; M104-L107 HydrophobicContact SD-CD2 4.33Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 2.9Å; L107-D111 HydrophobicContact CD2-CB 3.78Å
108	K	95.8	Very high	97.4	Very high	100 Å²	100	52.3 Å²	52.3	44%	0.435	27%	0.272	S	S	.	.			trans	-107.1	160	175.9	-58.4	178.7	-176.5	178.6	0	109.7	E110 D111	K108-E110 HydrophobicContact CB-CB 4.48Å; K108-E110 PolarHBondContact O-N 2.87Å; K108-D111 PolarHBondContact N-OD2 2.87Å; K108-D111 WeakPolarHBondContact O-CB 3.31Å; K108-D111 PolarHBondContact O-N 3Å
109	T	94.2	Very high	97.2	Very high	109 Å²	109	55.6 Å²	55.6	67%	0.669	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-55.6	-35	173.7	-50.3	0	0	0	0	111.7	D111 T112	T109-D111 PolarHBondContact O-N 3.4Å; T109-T112 VanDerWaalsContact O-CB 3.29Å; T109-T112 WeakPolarHBondContact O-CB 3.26Å; T109-T112 PolarHBondContact O-N 3.3Å; T109-T112 VanDerWaalsContact O-N 3.14Å; T109-T112 PolarHBondContact O-OG1 3.16Å
110	E	94.2	Very high	97.1	Very high	135 Å²	135	56.9 Å²	56.9	63%	0.631	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.5	176.2	-60.2	134.4	-126	0	0	114.1	K108 T112	K108-E110 HydrophobicContact CB-CB 4.48Å; K108-E110 PolarHBondContact O-N 2.87Å; E110-T112 VanDerWaalsContact C-N 3.25Å; E110-T112 PolarHBondContact O-N 3.01Å
111	D	96.2	Very high	97	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.043	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-83.3	-2.8	179.7	-60.6	-46.6	0	0	0	112.7	R57 R88 F89 L107 K108 T109 A113 Y115	R57-D111 IonicContact NH1-OD1 3.03Å; R57-D111 PolarHBondContact NH1-OD1 2.87Å; R88-D111 IonicContact CZ-OD1 3.91Å; R88-D111 IonicContact CZ-OD2 3.35Å; R88-D111 IonicContact NH1-OD1 3.92Å; R88-D111 IonicContact NH1-OD2 2.7Å; R88-D111 PolarHBondContact NH1-OD2 2.91Å; R88-D111 IonicContact NH2-OD1 2.97Å; R88-D111 PolarHBondContact NH2-OD1 2.82Å; R88-D111 IonicContact NH2-OD2 3.15Å; R88-D111 PolarHBondContact NH2-OD2 3.49Å; R88-D111 VanDerWaalsContact NH2-OD2 3.15Å; F89-D111 HydrophobicContact CZ-CB 4.22Å; L107-D111 HydrophobicContact CD2-CB 3.78Å; K108-D111 PolarHBondContact N-OD2 2.87Å; K108-D111 WeakPolarHBondContact O-CB 3.31Å; K108-D111 PolarHBondContact O-N 3Å; T109-D111 PolarHBondContact O-N 3.4Å; D111-A113 PolarHBondContact O-N 3.19Å; D111-A113 VanDerWaalsContact O-N 3.1Å; D111-Y115 WeakPolarHBondContact O-CE2 3.46Å; D111-Y115 PolarHBondContact O-OH 3.35Å
112	T	96.3	Very high	96.9	Very high	95 Å²	95	61.1 Å²	61.1	58%	0.583	31%	0.309	S	S	*	.			trans	-67.7	105	176.9	-52.5	0	0	0	0	110	T109 E110	T109-T112 VanDerWaalsContact O-CB 3.29Å; T109-T112 WeakPolarHBondContact O-CB 3.26Å; T109-T112 PolarHBondContact O-N 3.3Å; T109-T112 VanDerWaalsContact O-N 3.14Å; T109-T112 PolarHBondContact O-OG1 3.16Å; E110-T112 VanDerWaalsContact C-N 3.25Å; E110-T112 PolarHBondContact O-N 3.01Å
113	A	97.4	Very high	96.8	Very high	24 Å²	24	64.7 Å²	64.7	20%	0.198	33%	0.327	C	S	.	.	S	Bend	trans	-158.2	163.9	-175.5	0	0	0	0	0	110.4	R57 Q58 A59 D111 Y115	R57-A113 HydrophobicContact CB-CB 3.88Å; R57-A113 HydrophobicContact CG-CB 4.24Å; Q58-A113 WeakPolarHBondContact O-CA 3.3Å; Q58-A113 WeakPolarHBondContact O-CB 3.45Å; A59-A113 HydrophobicContact CB-CB 4.28Å; D111-A113 PolarHBondContact O-N 3.19Å; D111-A113 VanDerWaalsContact O-N 3.1Å; A113-Y115 HydrophobicContact CB-CD2 4.35Å; A113-Y115 HydrophobicContact CB-CE2 3.88Å; A113-Y115 VanDerWaalsContact O-CD2 3.29Å; A113-Y115 WeakPolarHBondContact O-CD2 3.48Å
114	M	97.6	Very high	96.7	Very high	116 Å²	116	64.9 Å²	64.9	57%	0.571	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.6	159	-68.1	-58.9	-63.2	0	0	108.6	R57 Q58 Y116	R57-M114 CarbonylContact C-O 3.6Å; R57-M114 WeakPolarHBondContact CA-O 3.35Å; Q58-M114 PolarHBondContact N-O 3.11Å; Q58-M114 PolarHBondContact O-N 3.19Å; M114-Y116 HydrophobicContact CB-CE2 3.73Å
115	Y	98.4	Very high	96.6	Very high	25 Å²	25	68.9 Å²	68.9	10%	0.098	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136	178.2	-75.3	-103.7	0	0	0	109.3	L39 V56 R57 V67 F89 L102 M104 D111 A113	L39-Y115 VanDerWaalsContact CD1-CB 3.48Å; L39-Y115 HydrophobicContact CD1-CD1 3.92Å; L39-Y115 HydrophobicContact CD1-CD2 4.06Å; L39-Y115 HydrophobicContact CD1-CG 3.56Å; V56-Y115 WeakPolarHBondContact O-CA 3.32Å; R57-Y115 HydrophobicContact CB-CD1 3.8Å; R57-Y115 HydrophobicContact CB-CD2 4.37Å; R57-Y115 HydrophobicContact CB-CE1 3.71Å; R57-Y115 HydrophobicContact CB-CE2 4.28Å; R57-Y115 HydrophobicContact CB-CG 4.13Å; R57-Y115 WeakPolarHBondContact CD-OH 3.26Å; R57-Y115 HydrophobicContact CG-CE1 4.42Å; V67-Y115 HydrophobicContact CG1-CE1 4.42Å; V67-Y115 HydrophobicContact CG2-CD1 4.49Å; V67-Y115 HydrophobicContact CG2-CE1 4.11Å; F89-Y115 HydrophobicContact CE2-CE1 4.29Å; L102-Y115 HydrophobicContact CD2-CD1 4.15Å; L102-Y115 HydrophobicContact CD2-CE1 4.24Å; M104-Y115 HydrophobicContact SD-CE1 4.12Å; D111-Y115 WeakPolarHBondContact O-CE2 3.46Å; D111-Y115 PolarHBondContact O-OH 3.35Å; A113-Y115 HydrophobicContact CB-CD2 4.35Å; A113-Y115 HydrophobicContact CB-CE2 3.88Å; A113-Y115 VanDerWaalsContact O-CD2 3.29Å; A113-Y115 WeakPolarHBondContact O-CD2 3.48Å
116	Y	98.4	Very high	96.5	Very high	82 Å²	82	70 Å²	70	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.4	-178.6	-56.7	-79.3	0	0	0	109.3	E25 W55 V56 Q58 L64 M114	E25-Y116 VanDerWaalsContact OE1-CA 3.28Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.36Å; W55-Y116 WeakPolarHBondContact CA-O 3.33Å; V56-Y116 PolarHBondContact N-O 3.08Å; V56-Y116 PolarHBondContact O-N 2.81Å; Q58-Y116 HydrophobicContact CB-CE2 4.14Å; L64-Y116 HydrophobicContact CD2-CD2 4.42Å; M114-Y116 HydrophobicContact CB-CE2 3.73Å
117	C	98.2	Very high	96.5	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.034	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.6	165.8	56.6	0	0	0	0	109.4	L23 E25 C41 H54 W55 L100	L23-C117 WeakPolarHBondContact CD1-O 3.43Å; E25-C117 HydrophobicContact CG-CB 4.48Å; E25-C117 PolarHBondContact OE1-N 3.09Å; E25-C117 PolarHBondContact OE1-SG 3.18Å; C41-C117 HydrophobicContact CB-CB 3.47Å; C41-C117 VanDerWaalsContact CB-CB 3.47Å; C41-C117 WeakPolarHBondContact CB-SG 3.29Å; C41-C117 WeakPolarHBondContact SG-CB 3.25Å; C41-C117 CovalentContact SG-SG 2.02Å; C41-C117 PolarHBondContact SG-SG 3.14Å; H54-C117 CarbonylContact O-C 3.56Å; H54-C117 VanDerWaalsContact O-CA 3.31Å; H54-C117 WeakPolarHBondContact O-CA 3.41Å; W55-C117 HydrophobicContact CD2-CB 4.46Å; W55-C117 HydrophobicContact CE3-CB 4.34Å; W55-C117 HydrophobicContact CH2-CB 4.22Å; W55-C117 HydrophobicContact CZ2-CB 4.34Å; W55-C117 HydrophobicContact CZ3-CB 4.21Å; L100-C117 HydrophobicContact CD2-CB 3.84Å
118	V	97.6	Very high	96.4	Very high	63 Å²	63	72 Å²	72	38%	0.382	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.6	-178.5	-172.6	0	0	0	0	108.6	M53 H54 V56	M53-V118 CarbonylContact C-O 3.57Å; M53-V118 WeakPolarHBondContact CA-O 3.46Å; H54-V118 HydrophobicContact CB-CB 4.27Å; H54-V118 PolarHBondContact N-O 3.33Å; H54-V118 PolarHBondContact O-N 2.93Å; V56-V118 HydrophobicContact CG2-CG2 4.05Å
119	R	93.1	Very high	96.5	Very high	102 Å²	102	69.5 Å²	69.5	39%	0.385	36%	0.356	S	S	.	.			trans	-104.3	0	175.7	-175.9	-176	71.6	164.3	-14.8	110.9	F46 Y51 M53	F46-R119 VanDerWaalsContact CD2-CD 3.46Å; F46-R119 VanDerWaalsContact CD2-NH1 3.28Å; F46-R119 HydrophobicContact CE2-CG 4.08Å; F46-R119 HydrophobicContact CZ-CG 4.3Å; Y51-R119 HydrophobicContact CD1-CG 3.53Å; Y51-R119 HydrophobicContact CE1-CG 4.43Å; Y51-R119 VanDerWaalsContact CG-CD 3.42Å; Y51-R119 HydrophobicContact CG-CG 3.67Å; M53-R119 HydrophobicContact CE-CB 4.29Å; M53-R119 HydrophobicContact SD-CB 3.9Å; M53-R119 HydrophobicContact SD-CG 3.94Å

Retrieved 119 of 119 residues in 176.3 ms (Link to these results)

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