A0A075B5P8_MOUSE Loading...

Immunoglobulin heavy variable 2-2

AlphaFold DB , UniProt , Accession A0A075B5P8, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-2, Length 116 aa.

						>A0A075B5P8_MOUSE|A0A075B5P8|Ighv2-2
MAVLGLLFCLVTFPSCVLSQVQLKQSGPGLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWSGGSTDYNAAFISRLSISKDNSKSQVFFKMNSLQADDTAIYYCAR
					

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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	59.7	Low	62.7	Low	214 Å²	214	116.8 Å²	116.8	100%	1.054	67%	0.665	S	S	*	*				0	-40.3	0	-76.7	169.6	65.6	0	0	113.6	V3 L4 G5	M1-V3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.37Å; M1-G5 PolarHBondContact O-N 3.24Å
2	A	65.5	Low	62.7	Low	85 Å²	85	113.8 Å²	113.8	70%	0.702	65%	0.651	S	S	*	*	H	α-helix	trans	-60.4	-37.8	179.5	0	0	0	0	0	114.6	G5 L6	A2-G5 PolarHBondContact O-N 3.25Å; A2-L6 PolarHBondContact O-N 3.48Å
3	V	65.9	Low	62.7	Low	108 Å²	108	118.5 Å²	118.5	66%	0.655	66%	0.66	S	S	*	*	H	α-helix	trans	-67.5	-36.8	-179.9	-175.1	0	0	0	0	112.3	M1 L6 L7	M1-V3 PolarHBondContact O-N 3.34Å; V3-L6 PolarHBondContact O-N 3.16Å; V3-L7 HydrophobicContact CG1-CD1 4.4Å; V3-L7 PolarHBondContact O-N 3.4Å; V3-L7 VanDerWaalsContact O-N 3.16Å
4	L	63.1	Low	62.7	Low	119 Å²	119	116.9 Å²	116.9	62%	0.623	66%	0.657	S	S	*	*	H	α-helix	trans	-67.7	-35.3	174.7	-103	92.9	0	0	0	112.1	M1 L6 L7 F8	M1-L4 PolarHBondContact O-N 3.37Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-F8 PolarHBondContact O-N 3.4Å
5	G	60.5	Low	62.5	Low	40 Å²	40	116.1 Å²	116.1	41%	0.412	66%	0.663	S	S	.	*	H	α-helix	trans	-64.5	-39.1	175.3	0	0	0	0	0	112.6	M1 A2 F8 C9	M1-G5 PolarHBondContact O-N 3.24Å; A2-G5 PolarHBondContact O-N 3.25Å; G5-F8 PolarHBondContact O-N 3.48Å; G5-C9 PolarHBondContact O-N 3.01Å
6	L	60.9	Low	62.5	Low	127 Å²	127	115.7 Å²	115.7	67%	0.665	67%	0.667	S	S	*	*	H	α-helix	trans	-65.3	-39.7	175.9	-116.2	149.4	0	0	0	112.4	A2 V3 L4 C9	A2-L6 PolarHBondContact O-N 3.48Å; V3-L6 PolarHBondContact O-N 3.16Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L6-C9 PolarHBondContact O-N 3.35Å
7	L	62.8	Low	62.7	Low	108 Å²	108	116.4 Å²	116.4	57%	0.565	67%	0.673	S	S	*	*	H	α-helix	trans	-65.2	-38.5	173.8	-84.7	152.8	0	0	0	112.2	V3 L4 C9 L10 V11	V3-L7 HydrophobicContact CG1-CD1 4.4Å; V3-L7 PolarHBondContact O-N 3.4Å; V3-L7 VanDerWaalsContact O-N 3.16Å; L4-L7 PolarHBondContact O-N 3.44Å; L7-C9 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 3.06Å; L7-V11 WeakPolarHBondContact O-CG2 3.05Å
8	F	61.8	Low	62.9	Low	144 Å²	144	118.6 Å²	118.6	63%	0.632	68%	0.682	S	S	*	*	H	α-helix	trans	-66.7	-32.4	177.8	-103.6	-86.3	0	0	0	113.7	L4 G5 L10 V11	L4-F8 PolarHBondContact O-N 3.4Å; G5-F8 PolarHBondContact O-N 3.48Å; F8-L10 VanDerWaalsContact C-N 3.32Å; F8-L10 PolarHBondContact O-N 3.18Å; F8-V11 PolarHBondContact O-N 3.25Å
9	C	61.7	Low	63.5	Low	94 Å²	94	117.1 Å²	117.1	64%	0.635	68%	0.679	S	S	*	*	H	α-helix	trans	-66.3	-30.2	175.8	-84.6	0	0	0	0	113.7	G5 L6 L7 V11 T12	G5-C9 PolarHBondContact O-N 3.01Å; L6-C9 PolarHBondContact O-N 3.35Å; L7-C9 PolarHBondContact O-N 3.32Å; C9-V11 VanDerWaalsContact C-N 3.3Å; C9-V11 PolarHBondContact O-N 3.28Å; C9-T12 PolarHBondContact O-OG1 3.31Å
10	L	61.9	Low	64.8	Low	141 Å²	141	118.6 Å²	118.6	74%	0.738	68%	0.679	S	S	*	*	H	α-helix	trans	-75.5	-19.8	-179.7	-70	171.2	0	0	0	112.8	L7 F8	L7-L10 PolarHBondContact O-N 3.06Å; F8-L10 VanDerWaalsContact C-N 3.32Å; F8-L10 PolarHBondContact O-N 3.18Å
11	V	65.6	Low	66.1	Low	105 Å²	105	115.2 Å²	115.2	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-92.4	-16.7	-176.1	-131.3	0	0	0	0	113.5	L7 F8 C9	L7-V11 WeakPolarHBondContact O-CG2 3.05Å; F8-V11 PolarHBondContact O-N 3.25Å; C9-V11 VanDerWaalsContact C-N 3.3Å; C9-V11 PolarHBondContact O-N 3.28Å
12	T	63.1	Low	67.9	Low	81 Å²	81	109.1 Å²	109.1	50%	0.497	63%	0.63	S	S	.	*	S	Bend	trans	-92.6	-2.9	-170.3	50	0	0	0	0	115.6	C9	C9-T12 PolarHBondContact O-OG1 3.31Å
13	F	62.5	Low	69.4	Low	175 Å²	175	107.8 Å²	107.8	77%	0.768	61%	0.611	S	S	*	*			trans	-140.2	64	179.6	-68.5	-83.1	0	0	0	116
14	P	62.8	Low	70.9	Confident	95 Å²	95	110 Å²	110	62%	0.617	61%	0.611	S	S	*	*			trans	-105.1	7.6	161.2	33.6	-24.4	0	0	0	113.9	C16	P14-C16 PolarHBondContact O-N 3.07Å
15	S	59.9	Low	72.6	Confident	106 Å²	106	107.7 Å²	107.7	74%	0.741	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	2.1	-178.7	36	0	0	0	0	115
16	C	62.4	Low	74.4	Confident	109 Å²	109	108.8 Å²	108.8	74%	0.736	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	33.7	176.8	-63.5	0	0	0	0	113.5	P14 L18	P14-C16 PolarHBondContact O-N 3.07Å; C16-L18 PolarHBondContact O-N 3.04Å
17	V	66	Low	76	Confident	127 Å²	127	105.2 Å²	105.2	77%	0.77	59%	0.593	S	S	*	*			trans	-75.3	86	161.8	-171.3	0	0	0	0	107.3	S19	V17-S19 PolarHBondContact O-N 3.32Å
18	L	66.2	Low	77.4	Confident	157 Å²	157	103 Å²	103	82%	0.822	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-52.4	128.7	163.1	-66.3	174.1	0	0	0	107.1	C16 Q20	C16-L18 PolarHBondContact O-N 3.04Å; L18-Q20 PolarHBondContact O-N 2.92Å
19	S	74.1	Confident	78.7	Confident	90 Å²	90	100.1 Å²	100.1	63%	0.629	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-59.5	116.3	179.4	-169.1	0	0	0	0	108.9	V17 V21 G45	V17-S19 PolarHBondContact O-N 3.32Å; S19-V21 PolarHBondContact O-N 3.28Å; S19-G45 WeakPolarHBondContact OG-CA 3.48Å
20	Q	89.4	Confident	80.1	Confident	146 Å²	146	104 Å²	104	68%	0.682	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-67.8	127.6	179.1	-169.8	-179.5	1.8	0	0	109.2	L18 Q22	L18-Q20 PolarHBondContact O-N 2.92Å; Q20-Q22 VanDerWaalsContact NE2-NE2 3.16Å; Q20-Q22 PolarHBondContact O-N 2.81Å
21	V	93.5	Very high	81.6	Confident	49 Å²	49	99.2 Å²	99.2	30%	0.297	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-69	130	174.9	172.5	0	0	0	0	109.4	S19 L23 S44 F46	S19-V21 PolarHBondContact O-N 3.28Å; V21-L23 HydrophobicContact CG1-CD1 3.94Å; V21-S44 WeakPolarHBondContact CA-O 2.93Å; V21-F46 HydrophobicContact CG1-CD1 3.77Å; V21-F46 HydrophobicContact CG1-CE1 3.81Å; V21-F46 HydrophobicContact CG2-CD1 4.32Å
22	Q	96	Very high	82.9	Confident	86 Å²	86	100.7 Å²	100.7	40%	0.402	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.3	143.4	176	-56.3	-68.6	-18.7	0	0	110.4	Q20 V43 S44	Q20-Q22 VanDerWaalsContact NE2-NE2 3.16Å; Q20-Q22 PolarHBondContact O-N 2.81Å; Q22-V43 WeakPolarHBondContact O-CA 3.25Å; Q22-S44 WeakPolarHBondContact CB-OG 3.42Å; Q22-S44 PolarHBondContact N-O 3.39Å; Q22-S44 PolarHBondContact O-N 3.32Å
23	L	97.7	Very high	84.3	Confident	57 Å²	57	100.8 Å²	100.8	30%	0.298	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.7	111.3	172.2	-65.9	92.3	0	0	0	107.7	V21 V43 C114	V21-L23 HydrophobicContact CG1-CD1 3.94Å; L23-V43 HydrophobicContact CD2-CG1 4.5Å; L23-V43 HydrophobicContact CG-CG1 4.4Å; L23-C114 HydrophobicContact CD2-CB 4.28Å
24	K	97.9	Very high	85.8	Confident	155 Å²	155	97.5 Å²	97.5	67%	0.674	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.7	116	-179.6	-177.2	177.9	179.7	178.7	0	109.9	T42	K24-T42 PolarHBondContact N-O 2.99Å; K24-T42 PolarHBondContact O-N 2.78Å
25	Q	98	Very high	87.4	Confident	70 Å²	70	97.3 Å²	97.3	33%	0.327	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	141.9	177.4	-72.7	168.7	-149.2	0	0	112.1	I39 T40 Y112 C114	Q25-I39 HydrophobicContact CB-CG2 4.34Å; Q25-I39 HydrophobicContact CG-CG2 4.4Å; Q25-T40 CarbonylContact C-O 3.58Å; Q25-T40 VanDerWaalsContact CA-O 3.29Å; Q25-T40 WeakPolarHBondContact CA-O 3.36Å; Q25-Y112 PolarHBondContact NE2-O 2.71Å; Q25-C114 VanDerWaalsContact CG-SG 3.52Å; Q25-C114 PolarHBondContact OE1-SG 3.29Å; Q25-C114 VanDerWaalsContact OE1-SG 3.4Å
26	S	97.7	Very high	89.2	Confident	63 Å²	63	94.8 Å²	94.8	44%	0.441	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.9	146	169.1	58.3	0	0	0	0	109.9	I39 T40	S26-I39 CarbonylContact O-C 3.59Å; S26-I39 WeakPolarHBondContact O-CA 3.38Å; S26-I39 WeakPolarHBondContact O-CG2 3.37Å; S26-T40 PolarHBondContact N-O 3.06Å; S26-T40 PolarHBondContact O-N 3.4Å
27	G	95.5	Very high	90.8	Very high	52 Å²	52	90.2 Å²	90.2	54%	0.536	53%	0.527	S	S	.	.	S	Bend	trans	169.2	179.9	-176.3	0	0	0	0	0	110.9
28	P	91.3	Very high	92.3	Very high	62 Å²	62	86.9 Å²	86.9	40%	0.403	51%	0.51	S	S	.	.			trans	-67.2	138.7	172.2	31.2	-33.8	0	0	0	109.5	V31 L37 S38	P28-V31 HydrophobicContact CB-CG2 3.61Å; P28-V31 HydrophobicContact CG-CG2 3.35Å; P28-L37 HydrophobicContact CG-CD1 3.83Å; P28-S38 WeakPolarHBondContact CD-O 3.03Å
29	G	90.1	Very high	93.8	Very high	83 Å²	83	80.1 Å²	80.1	86%	0.856	48%	0.475	S	S	*	.	S	Bend	trans	-71.8	-50.6	179.7	0	0	0	0	0	112.8
30	L	91.2	Very high	95	Very high	175 Å²	175	77.3 Å²	77.3	92%	0.916	45%	0.454	S	S	*	.			trans	-126.9	133.8	177.4	-77.6	139.7	0	0	0	108.6
31	V	93.8	Very high	95.4	Very high	41 Å²	41	70.4 Å²	70.4	25%	0.248	42%	0.421	C	S	.	.			trans	-128.7	136.7	179.5	-174.8	0	0	0	0	107.9	P28 Q35 L37 L104	P28-V31 HydrophobicContact CB-CG2 3.61Å; P28-V31 HydrophobicContact CG-CG2 3.35Å; V31-Q35 HydrophobicContact CG1-CB 3.63Å; V31-L37 HydrophobicContact CG2-CD1 4.01Å; V31-L104 HydrophobicContact CB-CD1 3.74Å; V31-L104 HydrophobicContact CG1-CD1 3.42Å; V31-L104 VanDerWaalsContact CG1-CD1 3.42Å
32	Q	92.2	Very high	95.7	Very high	135 Å²	135	70.4 Å²	70.4	63%	0.631	42%	0.421	S	S	*	.			trans	-74.3	155.3	-179.4	-68	-180	-15.9	0	0	111	Q35	Q32-Q35 HydrophobicContact CB-CG 4.31Å; Q32-Q35 VanDerWaalsContact N-OE1 3.14Å; Q32-Q35 WeakPolarHBondContact O-CB 3.33Å; Q32-Q35 PolarHBondContact O-N 3.37Å
33	P	92.7	Very high	95.8	Very high	83 Å²	83	66.5 Å²	66.5	54%	0.539	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	154.1	168.1	-25.9	35.1	0	0	0	112.2	Q35	P33-Q35 PolarHBondContact O-N 2.83Å
34	S	94.2	Very high	95.7	Very high	106 Å²	106	66.6 Å²	66.6	74%	0.741	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	-9.7	-175.8	-49.1	0	0	0	0	116.1	L104	S34-L104 PolarHBondContact N-O 3.08Å
35	Q	96	Very high	95.6	Very high	92 Å²	92	60.7 Å²	60.7	43%	0.43	39%	0.392	S	S	.	.	S	Bend	trans	-83.7	179.4	171.6	-59.4	-177.2	-28.1	0	0	111.4	V31 Q32 P33 S103 L104	V31-Q35 HydrophobicContact CG1-CB 3.63Å; Q32-Q35 HydrophobicContact CB-CG 4.31Å; Q32-Q35 VanDerWaalsContact N-OE1 3.14Å; Q32-Q35 WeakPolarHBondContact O-CB 3.33Å; Q32-Q35 PolarHBondContact O-N 3.37Å; P33-Q35 PolarHBondContact O-N 2.83Å; Q35-S103 PolarHBondContact O-N 2.75Å; Q35-L104 WeakPolarHBondContact O-CG 3.33Å; Q35-L104 PolarHBondContact O-N 2.79Å
36	S	96.5	Very high	95.4	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	38%	0.382	S	S	.	.			trans	-106.9	132.9	174.9	-62.2	0	0	0	0	111.2	M101 N102	S36-M101 CarbonylContact C-O 3.6Å; S36-M101 VanDerWaalsContact CA-O 3.25Å; S36-M101 WeakPolarHBondContact CA-O 3.44Å; S36-N102 PolarHBondContact OG-OD1 2.94Å
37	L	96.8	Very high	95.3	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.068	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.5	168.3	177	59.5	0	0	0	109.3	P28 V31 I39 F99 K100 M101 L104 Y112	P28-L37 HydrophobicContact CG-CD1 3.83Å; V31-L37 HydrophobicContact CG2-CD1 4.01Å; L37-I39 HydrophobicContact CD1-CD1 4.04Å; L37-I39 HydrophobicContact CD1-CG1 3.8Å; L37-I39 HydrophobicContact CD2-CD1 3.89Å; L37-I39 HydrophobicContact CD2-CG1 4.38Å; L37-I39 HydrophobicContact CG-CD1 4.03Å; L37-I39 HydrophobicContact CG-CG1 3.96Å; L37-F99 HydrophobicContact CD2-CE1 4.21Å; L37-K100 VanDerWaalsContact O-CA 3.29Å; L37-K100 WeakPolarHBondContact O-CA 3.33Å; L37-K100 WeakPolarHBondContact O-CG 3.36Å; L37-M101 HydrophobicContact CB-CB 4.33Å; L37-M101 PolarHBondContact N-O 3.38Å; L37-M101 PolarHBondContact O-N 3.49Å; L37-L104 HydrophobicContact CB-CD1 3.96Å; L37-L104 HydrophobicContact CB-CD2 4.02Å; L37-L104 HydrophobicContact CB-CG 4.34Å; L37-Y112 HydrophobicContact CD2-CD1 4.23Å; L37-Y112 HydrophobicContact CD2-CD2 3.82Å; L37-Y112 HydrophobicContact CD2-CE1 4.07Å; L37-Y112 HydrophobicContact CD2-CE2 3.67Å; L37-Y112 HydrophobicContact CD2-CG 4.11Å
38	S	97.8	Very high	95.4	Very high	58 Å²	58	55.8 Å²	55.8	41%	0.406	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	114.5	172.6	-65.5	0	0	0	0	109.9	P28 F99	P28-S38 WeakPolarHBondContact CD-O 3.03Å; S38-F99 CarbonylContact C-O 3.53Å; S38-F99 WeakPolarHBondContact CA-O 3.18Å
39	I	98.1	Very high	95.7	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.077	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.2	-178.6	-55.1	172.2	0	0	0	108.2	Q25 S26 L37 W55 F99 Y112	Q25-I39 HydrophobicContact CB-CG2 4.34Å; Q25-I39 HydrophobicContact CG-CG2 4.4Å; S26-I39 CarbonylContact O-C 3.59Å; S26-I39 WeakPolarHBondContact O-CA 3.38Å; S26-I39 WeakPolarHBondContact O-CG2 3.37Å; L37-I39 HydrophobicContact CD1-CD1 4.04Å; L37-I39 HydrophobicContact CD1-CG1 3.8Å; L37-I39 HydrophobicContact CD2-CD1 3.89Å; L37-I39 HydrophobicContact CD2-CG1 4.38Å; L37-I39 HydrophobicContact CG-CD1 4.03Å; L37-I39 HydrophobicContact CG-CG1 3.96Å; I39-W55 HydrophobicContact CB-CH2 4.1Å; I39-W55 HydrophobicContact CB-CZ3 4.13Å; I39-W55 HydrophobicContact CG2-CH2 3.76Å; I39-W55 HydrophobicContact CG2-CZ3 3.79Å; I39-F99 HydrophobicContact CD1-CD1 4.35Å; I39-F99 PolarHBondContact N-O 3.48Å; I39-F99 PolarHBondContact O-N 3.37Å; I39-Y112 VanDerWaalsContact CD1-CB 3.48Å; I39-Y112 HydrophobicContact CD1-CG 3.99Å
40	T	98.6	Very high	96	Very high	31 Å²	31	56.4 Å²	56.4	19%	0.19	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.4	170.6	-56.2	0	0	0	0	108.8	Q25 S26 Q96 V97 F98	Q25-T40 CarbonylContact C-O 3.58Å; Q25-T40 VanDerWaalsContact CA-O 3.29Å; Q25-T40 WeakPolarHBondContact CA-O 3.36Å; S26-T40 PolarHBondContact N-O 3.06Å; S26-T40 PolarHBondContact O-N 3.4Å; T40-Q96 HydrophobicContact CG2-CB 4.1Å; T40-Q96 HydrophobicContact CG2-CG 3.86Å; T40-V97 CarbonylContact C-O 3.55Å; T40-V97 WeakPolarHBondContact CA-O 3.41Å; T40-F98 HydrophobicContact CG2-CD1 3.84Å; T40-F98 HydrophobicContact CG2-CE1 3.61Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.34Å
41	C	98.6	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113	170.5	-178.4	0	0	0	0	108.7	W55 Q96 V97 C114	C41-W55 HydrophobicContact CB-CH2 3.61Å; C41-W55 HydrophobicContact CB-CZ2 3.72Å; C41-Q96 CarbonylContact O-C 3.54Å; C41-Q96 WeakPolarHBondContact O-CA 3.43Å; C41-V97 HydrophobicContact CB-CB 4.43Å; C41-V97 PolarHBondContact N-O 2.99Å; C41-V97 PolarHBondContact O-N 3.32Å; C41-C114 HydrophobicContact CB-CB 3.5Å; C41-C114 WeakPolarHBondContact CB-SG 3.46Å; C41-C114 WeakPolarHBondContact SG-CB 3.44Å; C41-C114 CovalentContact SG-SG 2.03Å; C41-C114 PolarHBondContact SG-SG 2.84Å
42	T	98.5	Very high	96.5	Very high	49 Å²	49	52.1 Å²	52.1	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.9	172.9	-53.8	0	0	0	0	108.8	K24 S95 Q96	K24-T42 PolarHBondContact N-O 2.99Å; K24-T42 PolarHBondContact O-N 2.78Å; T42-S95 CarbonylContact C-O 3.57Å; T42-S95 WeakPolarHBondContact CA-O 3.29Å; T42-Q96 HydrophobicContact CG2-CG 4.3Å
43	V	98	Very high	96.8	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.3	-176.8	-55.1	0	0	0	0	111.5	Q22 L23 F46 L48 V53 S95	Q22-V43 WeakPolarHBondContact O-CA 3.25Å; L23-V43 HydrophobicContact CD2-CG1 4.5Å; L23-V43 HydrophobicContact CG-CG1 4.4Å; V43-F46 HydrophobicContact CB-CD1 4.47Å; V43-F46 HydrophobicContact CB-CE1 3.64Å; V43-F46 HydrophobicContact CB-CE2 4.18Å; V43-F46 HydrophobicContact CB-CZ 3.48Å; V43-F46 VanDerWaalsContact CB-CZ 3.48Å; V43-F46 HydrophobicContact CG1-CE1 4.07Å; V43-F46 HydrophobicContact CG1-CE2 4.34Å; V43-F46 HydrophobicContact CG1-CZ 3.54Å; V43-F46 HydrophobicContact CG2-CE1 4.3Å; V43-F46 HydrophobicContact CG2-CE2 4.09Å; V43-F46 HydrophobicContact CG2-CZ 3.91Å; V43-L48 HydrophobicContact CG1-CD2 4.31Å; V43-L48 HydrophobicContact CG2-CD1 4.14Å; V43-L48 HydrophobicContact CG2-CD2 3.64Å; V43-L48 HydrophobicContact CG2-CG 3.67Å; V43-V53 HydrophobicContact CG1-CG2 4.28Å; V43-S95 PolarHBondContact N-O 3.02Å; V43-S95 VanDerWaalsContact O-CB 3.3Å; V43-S95 WeakPolarHBondContact O-CB 3.3Å
44	S	96.3	Very high	97.1	Very high	60 Å²	60	43.9 Å²	43.9	42%	0.42	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.5	169.1	68.2	0	0	0	0	111.2	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 2.93Å; Q22-S44 WeakPolarHBondContact CB-OG 3.42Å; Q22-S44 PolarHBondContact N-O 3.39Å; Q22-S44 PolarHBondContact O-N 3.32Å; S44-F46 WeakPolarHBondContact O-CD1 3.41Å; S44-F46 PolarHBondContact O-N 2.86Å
45	G	94.7	Very high	97.3	Very high	30 Å²	30	38.9 Å²	38.9	31%	0.309	23%	0.233	S	C	.	.	S	Bend	trans	78.1	2.8	-173.2	0	0	0	0	0	114.5	S19	S19-G45 WeakPolarHBondContact OG-CA 3.48Å
46	F	94.3	Very high	97.4	Very high	26 Å²	26	35.7 Å²	35.7	11%	0.114	22%	0.22	C	C	.	.	S	Bend	trans	-158.8	166.5	169.8	68.7	-81.9	0	0	0	111.8	V21 V43 S44 L48 Y51 V53 R116	V21-F46 HydrophobicContact CG1-CD1 3.77Å; V21-F46 HydrophobicContact CG1-CE1 3.81Å; V21-F46 HydrophobicContact CG2-CD1 4.32Å; V43-F46 HydrophobicContact CB-CD1 4.47Å; V43-F46 HydrophobicContact CB-CE1 3.64Å; V43-F46 HydrophobicContact CB-CE2 4.18Å; V43-F46 HydrophobicContact CB-CZ 3.48Å; V43-F46 VanDerWaalsContact CB-CZ 3.48Å; V43-F46 HydrophobicContact CG1-CE1 4.07Å; V43-F46 HydrophobicContact CG1-CE2 4.34Å; V43-F46 HydrophobicContact CG1-CZ 3.54Å; V43-F46 HydrophobicContact CG2-CE1 4.3Å; V43-F46 HydrophobicContact CG2-CE2 4.09Å; V43-F46 HydrophobicContact CG2-CZ 3.91Å; S44-F46 WeakPolarHBondContact O-CD1 3.41Å; S44-F46 PolarHBondContact O-N 2.86Å; F46-L48 HydrophobicContact CE2-CD2 4.17Å; F46-Y51 HydrophobicContact CB-CD2 3.95Å; F46-Y51 HydrophobicContact CB-CE2 4.23Å; F46-Y51 AromaticContact CD2-CD2 3.88Å; F46-Y51 HydrophobicContact CD2-CD2 3.88Å; F46-Y51 HydrophobicContact CD2-CG 4.15Å; F46-Y51 HydrophobicContact CG-CD2 4.31Å; F46-V53 HydrophobicContact CE2-CG2 4.33Å; F46-V53 HydrophobicContact CZ-CG2 4.34Å; F46-R116 VanDerWaalsContact CD2-CD 3.5Å; F46-R116 HydrophobicContact CD2-CG 4.3Å; F46-R116 HydrophobicContact CE1-CB 4.25Å; F46-R116 HydrophobicContact CE1-CG 4.33Å; F46-R116 HydrophobicContact CE2-CB 4.38Å; F46-R116 VanDerWaalsContact CE2-CD 3.49Å; F46-R116 HydrophobicContact CE2-CG 3.84Å; F46-R116 HydrophobicContact CZ-CB 3.88Å; F46-R116 HydrophobicContact CZ-CG 3.84Å
47	S	96	Very high	97.4	Very high	53 Å²	53	33.7 Å²	33.7	37%	0.371	20%	0.204	S	C	.	.			trans	-101.1	137.3	176.6	-176.8	0	0	0	0	112.4	T49 S50 Y51	S47-T49 PolarHBondContact O-N 3.43Å; S47-T49 PolarHBondContact OG-N 2.96Å; S47-T49 PolarHBondContact OG-OG1 2.63Å; S47-S50 PolarHBondContact O-N 3.43Å; S47-Y51 PolarHBondContact O-N 2.8Å; S47-Y51 VanDerWaalsContact O-N 3.12Å
48	L	97.9	Very high	97.4	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.7	171.3	-66.7	178.7	0	0	0	113.8	V43 F46 S50 V53 K90 N92 V97	V43-L48 HydrophobicContact CG1-CD2 4.31Å; V43-L48 HydrophobicContact CG2-CD1 4.14Å; V43-L48 HydrophobicContact CG2-CD2 3.64Å; V43-L48 HydrophobicContact CG2-CG 3.67Å; F46-L48 HydrophobicContact CE2-CD2 4.17Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-V53 HydrophobicContact CD2-CG2 3.57Å; L48-K90 HydrophobicContact CB-CD 4.46Å; L48-K90 HydrophobicContact CD1-CB 4.44Å; L48-K90 PolarHBondContact O-NZ 3.21Å; L48-N92 WeakPolarHBondContact CB-OD1 3.45Å; L48-V97 HydrophobicContact CD1-CG2 3.85Å; L48-V97 HydrophobicContact CD2-CG2 3.62Å; L48-V97 HydrophobicContact CG-CG2 4.42Å
49	T	97.4	Very high	97.4	Very high	81 Å²	81	34.4 Å²	34.4	50%	0.497	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.1	169.9	62	0	0	0	0	112.6	S47 S72 N92	S47-T49 PolarHBondContact O-N 3.43Å; S47-T49 PolarHBondContact OG-N 2.96Å; S47-T49 PolarHBondContact OG-OG1 2.63Å; T49-S72 WeakPolarHBondContact O-CB 3.2Å; T49-N92 HydrophobicContact CG2-CB 4.48Å; T49-N92 WeakPolarHBondContact CG2-ND2 3.35Å
50	S	96.2	Very high	97.3	Very high	77 Å²	77	38.6 Å²	38.6	54%	0.538	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-25.5	-177.2	-56.8	0	0	0	0	112.8	S47 L48	S47-S50 PolarHBondContact O-N 3.43Å; L48-S50 VanDerWaalsContact C-N 3.34Å
51	Y	97	Very high	97.2	Very high	116 Å²	116	41.5 Å²	41.5	46%	0.455	27%	0.267	S	S	.	.			trans	-130.3	150.3	-178.6	-63.7	-87.5	0	0	0	111.8	F46 S47 R116	F46-Y51 HydrophobicContact CB-CD2 3.95Å; F46-Y51 HydrophobicContact CB-CE2 4.23Å; F46-Y51 AromaticContact CD2-CD2 3.88Å; F46-Y51 HydrophobicContact CD2-CD2 3.88Å; F46-Y51 HydrophobicContact CD2-CG 4.15Å; F46-Y51 HydrophobicContact CG-CD2 4.31Å; S47-Y51 PolarHBondContact O-N 2.8Å; S47-Y51 VanDerWaalsContact O-N 3.12Å; Y51-R116 HydrophobicContact CD1-CG 4.33Å; Y51-R116 HydrophobicContact CG-CG 4.27Å
52	G	97.9	Very high	97.1	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	30%	0.297	C	S	.	.			trans	-81.3	167.7	166.1	0	0	0	0	0	112	I70	G52-I70 CarbonylContact C-O 3.56Å; G52-I70 WeakPolarHBondContact CA-O 3.19Å
53	V	98.7	Very high	97	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.5	171.8	176.5	0	0	0	0	108.8	V43 F46 L48 V69 I70 V97 C114 A115	V43-V53 HydrophobicContact CG1-CG2 4.28Å; F46-V53 HydrophobicContact CE2-CG2 4.33Å; F46-V53 HydrophobicContact CZ-CG2 4.34Å; L48-V53 HydrophobicContact CD2-CG2 3.57Å; V53-V69 WeakPolarHBondContact O-CA 3.38Å; V53-I70 PolarHBondContact N-O 2.77Å; V53-I70 PolarHBondContact O-N 2.96Å; V53-I70 VanDerWaalsContact O-N 3.09Å; V53-V97 HydrophobicContact CB-CB 4.44Å; V53-V97 HydrophobicContact CB-CG1 4.27Å; V53-V97 HydrophobicContact CB-CG2 3.91Å; V53-V97 HydrophobicContact CG1-CB 4.33Å; V53-V97 HydrophobicContact CG1-CG1 4.24Å; V53-V97 HydrophobicContact CG1-CG2 4.26Å; V53-V97 HydrophobicContact CG2-CG2 3.78Å; V53-C114 HydrophobicContact CG1-CB 3.92Å; V53-A115 CarbonylContact C-O 3.52Å; V53-A115 WeakPolarHBondContact CA-O 3.29Å
54	H	98.6	Very high	96.9	Very high	46 Å²	46	54.5 Å²	54.5	21%	0.213	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	149.3	177.5	-64.3	-104.2	0	0	0	110.2	W66 G68 C114 A115	H54-W66 AromaticContact ND1-CD1 3.94Å; H54-W66 AromaticContact ND1-NE1 3.23Å; H54-W66 PolarHBondContact ND1-NE1 2.84Å; H54-G68 CarbonylContact C-O 3.5Å; H54-G68 WeakPolarHBondContact CA-O 3.32Å; H54-C114 CarbonylContact O-C 3.57Å; H54-C114 VanDerWaalsContact O-CA 3.29Å; H54-C114 WeakPolarHBondContact O-CA 3.47Å; H54-A115 HydrophobicContact CB-CB 4.47Å; H54-A115 PolarHBondContact N-O 2.84Å; H54-A115 PolarHBondContact O-N 2.71Å
55	W	98.6	Very high	97	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.4	168.4	-69.5	93.6	0	0	0	109.4	I39 C41 L67 G68 V97 F99 Y113 C114	I39-W55 HydrophobicContact CB-CH2 4.1Å; I39-W55 HydrophobicContact CB-CZ3 4.13Å; I39-W55 HydrophobicContact CG2-CH2 3.76Å; I39-W55 HydrophobicContact CG2-CZ3 3.79Å; C41-W55 HydrophobicContact CB-CH2 3.61Å; C41-W55 HydrophobicContact CB-CZ2 3.72Å; W55-L67 HydrophobicContact CB-CB 4.27Å; W55-L67 WeakPolarHBondContact O-CB 3.41Å; W55-L67 PolarHBondContact O-N 2.03Å; W55-G68 PolarHBondContact N-O 3.44Å; W55-G68 PolarHBondContact O-N 2.87Å; W55-V97 HydrophobicContact CZ2-CB 4.49Å; W55-V97 HydrophobicContact CZ2-CG1 4.11Å; W55-F99 HydrophobicContact CB-CD2 3.87Å; W55-F99 HydrophobicContact CB-CE2 4.13Å; W55-F99 AromaticContact CD1-CD2 3.97Å; W55-F99 HydrophobicContact CD2-CB 3.53Å; W55-F99 AromaticContact CD2-CD2 3.84Å; W55-F99 HydrophobicContact CD2-CD2 3.84Å; W55-F99 AromaticContact CD2-CG 3.81Å; W55-F99 HydrophobicContact CD2-CG 3.81Å; W55-F99 HydrophobicContact CE3-CB 3.87Å; W55-F99 HydrophobicContact CE3-CD2 4.33Å; W55-F99 HydrophobicContact CE3-CG 4.01Å; W55-F99 HydrophobicContact CG-CB 4.1Å; W55-F99 AromaticContact CG-CD2 3.59Å; W55-F99 HydrophobicContact CG-CD2 3.59Å; W55-F99 HydrophobicContact CG-CE2 4.34Å; W55-F99 HydrophobicContact CG-CG 4.09Å; W55-F99 HydrophobicContact CH2-CB 3.76Å; W55-F99 HydrophobicContact CZ2-CB 3.44Å; W55-F99 VanDerWaalsContact CZ2-CB 3.44Å; W55-F99 HydrophobicContact CZ3-CB 3.98Å; W55-F99 HydrophobicContact CZ3-CG 4.43Å; W55-Y113 WeakPolarHBondContact CA-O 3.4Å; W55-C114 HydrophobicContact CD2-CB 4.21Å; W55-C114 HydrophobicContact CE3-CB 3.96Å; W55-C114 HydrophobicContact CH2-CB 3.85Å; W55-C114 HydrophobicContact CZ2-CB 4.04Å; W55-C114 HydrophobicContact CZ3-CB 3.78Å
56	V	98.2	Very high	97.2	Very high	25 Å²	25	57.6 Å²	57.6	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.3	-176.4	-175.2	0	0	0	0	107.4	L64 E65 Y112 Y113	V56-L64 HydrophobicContact CG1-CB 3.75Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.27Å; V56-E65 CarbonylContact C-O 3.57Å; V56-E65 WeakPolarHBondContact CA-O 3.33Å; V56-E65 WeakPolarHBondContact CG1-O 3.41Å; V56-Y112 CarbonylContact O-C 3.55Å; V56-Y113 PolarHBondContact N-O 2.92Å; V56-Y113 PolarHBondContact O-N 3.35Å
57	R	97.1	Very high	97.4	Very high	10 Å²	10	56.3 Å²	56.3	4%	0.038	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159.4	169.9	69.3	176.3	-172.1	176.3	10.8	112	E65 L67 F82 D108 A110 I111 Y112	R57-E65 HydrophobicContact CG-CB 4.12Å; R57-E65 IonicContact CZ-OE2 2.76Å; R57-E65 PolarHBondContact N-O 2.81Å; R57-E65 IonicContact NE-OE2 2.79Å; R57-E65 PolarHBondContact NE-OE2 2.8Å; R57-E65 IonicContact NH2-OE2 3.85Å; R57-E65 PolarHBondContact NH2-OE2 2.76Å; R57-E65 PolarHBondContact O-N 2.74Å; R57-L67 HydrophobicContact CB-CD1 3.98Å; R57-L67 HydrophobicContact CB-CG 4.47Å; R57-L67 HydrophobicContact CG-CD1 4.12Å; R57-L67 HydrophobicContact CG-CD2 3.99Å; R57-L67 HydrophobicContact CG-CG 4.17Å; R57-F82 VanDerWaalsContact CZ-CE1 3.45Å; R57-F82 VanDerWaalsContact CZ-CZ 3.49Å; R57-D108 IonicContact CZ-OD1 2.8Å; R57-D108 IonicContact NH1-OD1 3.96Å; R57-D108 PolarHBondContact NH1-OD1 2.97Å; R57-A110 HydrophobicContact CB-CB 3.91Å; R57-A110 HydrophobicContact CG-CB 4.24Å; R57-I111 CarbonylContact C-O 3.52Å; R57-I111 WeakPolarHBondContact CA-O 3.48Å; R57-Y112 HydrophobicContact CB-CD1 3.97Å; R57-Y112 HydrophobicContact CB-CE1 4.07Å; R57-Y112 HydrophobicContact CB-CG 4.27Å
58	Q	97.7	Very high	97.5	Very high	74 Å²	74	53.8 Å²	53.8	35%	0.346	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	106.6	174	-165	176.5	15.3	0	0	109.6	L64 A110 I111 Y113	Q58-L64 HydrophobicContact CB-CD2 3.98Å; Q58-L64 HydrophobicContact CG-CD2 4.24Å; Q58-A110 WeakPolarHBondContact O-CA 3.38Å; Q58-A110 WeakPolarHBondContact O-CB 3.05Å; Q58-I111 PolarHBondContact N-O 2.86Å; Q58-I111 PolarHBondContact O-N 3.18Å; Q58-Y113 HydrophobicContact CB-CE2 3.91Å
59	S	96.2	Very high	97.5	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	31%	0.312	C	S	.	.			trans	-73.5	151.8	171.8	-54.2	0	0	0	0	110.5	G61 K62	S59-G61 PolarHBondContact O-N 2.81Å; S59-K62 PolarHBondContact O-N 2.77Å
60	P	95.8	Very high	97.6	Very high	102 Å²	102	50.2 Å²	50.2	66%	0.662	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127	176.3	-26.2	34.5	0	0	0	112.1	K62 T109	P60-K62 PolarHBondContact O-N 2.95Å; P60-T109 WeakPolarHBondContact CD-O 3.34Å
61	G	96.9	Very high	97.7	Very high	93 Å²	93	51.3 Å²	51.3	96%	0.959	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	7.4	179.9	0	0	0	0	0	115.6	S59	S59-G61 PolarHBondContact O-N 2.81Å
62	K	96.2	Very high	97.7	Very high	147 Å²	147	48.2 Å²	48.2	64%	0.639	28%	0.278	S	S	*	.	S	Bend	trans	-114.9	165.4	177	-60.5	-168	-179	177.7	0	111.9	S59 P60	S59-K62 PolarHBondContact O-N 2.77Å; P60-K62 PolarHBondContact O-N 2.95Å
63	G	96.5	Very high	97.7	Very high	56 Å²	56	51.4 Å²	51.4	58%	0.577	31%	0.311	S	S	*	.			trans	-71.4	-179.3	172.4	0	0	0	0	0	113.2
64	L	97.7	Very high	97.7	Very high	123 Å²	123	53 Å²	53	64%	0.644	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.6	172.4	-66.8	176.3	0	0	0	110.4	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.75Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.27Å; Q58-L64 HydrophobicContact CB-CD2 3.98Å; Q58-L64 HydrophobicContact CG-CD2 4.24Å
65	E	97.7	Very high	97.7	Very high	64 Å²	64	54.2 Å²	54.2	30%	0.299	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.6	176.6	-177.7	173.7	-144.7	0	0	109.5	V56 R57 F82	V56-E65 CarbonylContact C-O 3.57Å; V56-E65 WeakPolarHBondContact CA-O 3.33Å; V56-E65 WeakPolarHBondContact CG1-O 3.41Å; R57-E65 HydrophobicContact CG-CB 4.12Å; R57-E65 IonicContact CZ-OE2 2.76Å; R57-E65 PolarHBondContact N-O 2.81Å; R57-E65 IonicContact NE-OE2 2.79Å; R57-E65 PolarHBondContact NE-OE2 2.8Å; R57-E65 IonicContact NH2-OE2 3.85Å; R57-E65 PolarHBondContact NH2-OE2 2.76Å; R57-E65 PolarHBondContact O-N 2.74Å; E65-F82 HydrophobicContact CG-CE2 4.15Å; E65-F82 WeakPolarHBondContact OE1-CE2 3.02Å; E65-F82 WeakPolarHBondContact OE1-CZ 3.29Å
66	W	98.2	Very high	97.7	Very high	90 Å²	90	56.5 Å²	56.5	34%	0.341	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.2	178.2	180	74.9	0	0	0	110.9	H54 G68 V69 D77 N79	H54-W66 AromaticContact ND1-CD1 3.94Å; H54-W66 AromaticContact ND1-NE1 3.23Å; H54-W66 PolarHBondContact ND1-NE1 2.84Å; W66-G68 PolarHBondContact NE1-O 2.85Å; W66-G68 VanDerWaalsContact NE1-O 3.07Å; W66-V69 HydrophobicContact CZ2-CB 4.11Å; W66-V69 HydrophobicContact CZ2-CG1 3.9Å; W66-D77 HydrophobicContact CH2-CB 4.08Å; W66-N79 HydrophobicContact CE3-CB 3.82Å; W66-N79 HydrophobicContact CZ3-CB 3.96Å; W66-N79 VanDerWaalsContact CZ3-N 3.34Å; W66-N79 VanDerWaalsContact O-CB 3.26Å; W66-N79 WeakPolarHBondContact O-CB 3.32Å; W66-N79 PolarHBondContact O-ND2 2.88Å
67	L	98.3	Very high	97.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-39.7	-176.3	-64.1	177.5	0	0	0	112.9	W55 R57 N79 F82 L86 F99 Y112	W55-L67 HydrophobicContact CB-CB 4.27Å; W55-L67 WeakPolarHBondContact O-CB 3.41Å; W55-L67 PolarHBondContact O-N 2.03Å; R57-L67 HydrophobicContact CB-CD1 3.98Å; R57-L67 HydrophobicContact CB-CG 4.47Å; R57-L67 HydrophobicContact CG-CD1 4.12Å; R57-L67 HydrophobicContact CG-CD2 3.99Å; R57-L67 HydrophobicContact CG-CG 4.17Å; L67-N79 PolarHBondContact O-N 3.4Å; L67-F82 HydrophobicContact CD2-CD1 4.46Å; L67-F82 HydrophobicContact CD2-CD2 3.57Å; L67-F82 HydrophobicContact CD2-CE2 3.79Å; L67-F82 HydrophobicContact CD2-CG 3.95Å; L67-F82 HydrophobicContact CD2-CZ 4.35Å; L67-L86 HydrophobicContact CB-CD1 3.9Å; L67-L86 WeakPolarHBondContact O-CD1 3.42Å; L67-F99 HydrophobicContact CB-CE2 4.37Å; L67-F99 HydrophobicContact CD1-CE2 3.92Å; L67-F99 HydrophobicContact CD1-CZ 3.72Å; L67-Y112 HydrophobicContact CD1-CD1 3.61Å; L67-Y112 HydrophobicContact CD1-CE1 3.57Å
68	G	98.4	Very high	97.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	177.7	-176.9	0	0	0	0	0	112.8	H54 W55 W66 D77	H54-G68 CarbonylContact C-O 3.5Å; H54-G68 WeakPolarHBondContact CA-O 3.32Å; W55-G68 PolarHBondContact N-O 3.44Å; W55-G68 PolarHBondContact O-N 2.87Å; W66-G68 PolarHBondContact NE1-O 2.85Å; W66-G68 VanDerWaalsContact NE1-O 3.07Å; G68-D77 CarbonylContact C-O 3.56Å; G68-D77 WeakPolarHBondContact CA-O 3.38Å
69	V	98.7	Very high	97.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148	177.9	63.9	0	0	0	0	109.5	V53 W66 W71 T76 D77	V53-V69 WeakPolarHBondContact O-CA 3.38Å; W66-V69 HydrophobicContact CZ2-CB 4.11Å; W66-V69 HydrophobicContact CZ2-CG1 3.9Å; V69-W71 HydrophobicContact CG1-CD2 4.27Å; V69-W71 HydrophobicContact CG1-CH2 4.5Å; V69-W71 HydrophobicContact CG1-CZ2 3.74Å; V69-W71 HydrophobicContact CG2-CD2 4.21Å; V69-W71 HydrophobicContact CG2-CE3 4.29Å; V69-W71 HydrophobicContact CG2-CZ2 4.46Å; V69-W71 HydrophobicContact CG2-CZ3 4.45Å; V69-T76 WeakPolarHBondContact O-CA 3.34Å; V69-D77 HydrophobicContact CG1-CB 3.91Å; V69-D77 PolarHBondContact N-O 2.95Å; V69-D77 PolarHBondContact O-N 2.83Å; V69-D77 VanDerWaalsContact O-N 3.08Å
70	I	98.8	Very high	97.8	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.046	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.8	158.6	-172.7	162.1	0	0	0	109.1	G52 V53 S75 T76 I88 K90 V97	G52-I70 CarbonylContact C-O 3.56Å; G52-I70 WeakPolarHBondContact CA-O 3.19Å; V53-I70 PolarHBondContact N-O 2.77Å; V53-I70 PolarHBondContact O-N 2.96Å; V53-I70 VanDerWaalsContact O-N 3.09Å; I70-S75 WeakPolarHBondContact CA-O 3.39Å; I70-T76 HydrophobicContact CB-CG2 4.01Å; I70-T76 HydrophobicContact CD1-CG2 4.02Å; I70-T76 HydrophobicContact CG1-CG2 3.88Å; I70-I88 HydrophobicContact CB-CG2 3.69Å; I70-I88 HydrophobicContact CG2-CG2 3.65Å; I70-K90 HydrophobicContact CD1-CB 4.04Å; I70-K90 HydrophobicContact CD1-CD 3.95Å; I70-K90 HydrophobicContact CD1-CG 3.73Å; I70-K90 HydrophobicContact CG1-CD 4.12Å; I70-K90 HydrophobicContact CG1-CG 4.44Å; I70-K90 HydrophobicContact CG2-CD 4.48Å; I70-V97 HydrophobicContact CG2-CG1 3.74Å; I70-V97 HydrophobicContact CG2-CG2 4.48Å
71	W	98.5	Very high	97.7	Very high	100 Å²	100	61.4 Å²	61.4	38%	0.379	40%	0.395	S	S	.	.			trans	-77.9	167	-177.6	-63	107.5	0	0	0	112.1	V69 G73 G74 S75 D77 K90	V69-W71 HydrophobicContact CG1-CD2 4.27Å; V69-W71 HydrophobicContact CG1-CH2 4.5Å; V69-W71 HydrophobicContact CG1-CZ2 3.74Å; V69-W71 HydrophobicContact CG2-CD2 4.21Å; V69-W71 HydrophobicContact CG2-CE3 4.29Å; V69-W71 HydrophobicContact CG2-CZ2 4.46Å; V69-W71 HydrophobicContact CG2-CZ3 4.45Å; W71-G73 PolarHBondContact O-N 2.96Å; W71-G74 PolarHBondContact O-N 3.04Å; W71-S75 VanDerWaalsContact CD1-OG 3.31Å; W71-S75 PolarHBondContact N-O 3.27Å; W71-D77 PolarHBondContact NE1-OD2 3.48Å; W71-K90 PolarHBondContact O-NZ 2.85Å
72	S	97.9	Very high	97.6	Very high	52 Å²	52	57.4 Å²	57.4	36%	0.364	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37	175.2	55	0	0	0	0	112.5	T49 G74 K90	T49-S72 WeakPolarHBondContact O-CB 3.2Å; S72-G74 PolarHBondContact O-N 3.38Å; S72-K90 VanDerWaalsContact C-NZ 3.29Å; S72-K90 PolarHBondContact O-NZ 2.84Å
73	G	97.7	Very high	97.5	Very high	75 Å²	75	54.9 Å²	54.9	77%	0.773	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.3	173.7	0	0	0	0	0	115.2	W71	W71-G73 PolarHBondContact O-N 2.96Å
74	G	97.9	Very high	97.5	Very high	35 Å²	35	57.3 Å²	57.3	36%	0.361	35%	0.352	S	S	.	.	S	Bend	trans	91.9	-5.3	178.6	0	0	0	0	0	115.3	W71 S72	W71-G74 PolarHBondContact O-N 3.04Å; S72-G74 PolarHBondContact O-N 3.38Å
75	S	98.2	Very high	97.5	Very high	70 Å²	70	52.8 Å²	52.8	49%	0.49	33%	0.326	S	S	.	.			trans	-65	151.7	168.3	51.2	0	0	0	0	111.2	I70 W71	I70-S75 WeakPolarHBondContact CA-O 3.39Å; W71-S75 VanDerWaalsContact CD1-OG 3.31Å; W71-S75 PolarHBondContact N-O 3.27Å
76	T	98.5	Very high	97.4	Very high	48 Å²	48	50.4 Å²	50.4	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.4	-179.5	55.9	0	0	0	0	111.2	V69 I70 Y78 I88	V69-T76 WeakPolarHBondContact O-CA 3.34Å; I70-T76 HydrophobicContact CB-CG2 4.01Å; I70-T76 HydrophobicContact CD1-CG2 4.02Å; I70-T76 HydrophobicContact CG1-CG2 3.88Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.26Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.25Å; T76-Y78 PolarHBondContact OG1-OH 3.28Å; T76-I88 HydrophobicContact CG2-CB 4.47Å
77	D	98.2	Very high	97.4	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.444	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.1	166.3	-60.1	-52.7	0	0	0	109.7	W66 G68 V69 W71	W66-D77 HydrophobicContact CH2-CB 4.08Å; G68-D77 CarbonylContact C-O 3.56Å; G68-D77 WeakPolarHBondContact CA-O 3.38Å; V69-D77 HydrophobicContact CG1-CB 3.91Å; V69-D77 PolarHBondContact N-O 2.95Å; V69-D77 PolarHBondContact O-N 2.83Å; V69-D77 VanDerWaalsContact O-N 3.08Å; W71-D77 PolarHBondContact NE1-OD2 3.48Å
78	Y	98.4	Very high	97.5	Very high	52 Å²	52	49.2 Å²	49.2	20%	0.204	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.9	-177.6	-58.6	-84.4	0	0	0	110.4	T76 A80 I83 L86 I88	T76-Y78 VanDerWaalsContact OG1-CE2 3.26Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.25Å; T76-Y78 PolarHBondContact OG1-OH 3.28Å; Y78-A80 PolarHBondContact O-N 2.95Å; Y78-I83 HydrophobicContact CD2-CD1 4.08Å; Y78-I83 HydrophobicContact CD2-CG1 3.9Å; Y78-I83 HydrophobicContact CG-CD1 4.43Å; Y78-I83 HydrophobicContact CG-CG1 3.97Å; Y78-L86 HydrophobicContact CD1-CB 3.84Å; Y78-L86 HydrophobicContact CD1-CD1 4.31Å; Y78-L86 HydrophobicContact CE1-CB 4.02Å; Y78-I88 HydrophobicContact CD1-CD1 4.08Å; Y78-I88 HydrophobicContact CE1-CB 4.29Å; Y78-I88 HydrophobicContact CE1-CD1 3.71Å; Y78-I88 HydrophobicContact CE1-CG1 3.85Å; Y78-I88 PolarHBondContact OH-N 2.82Å
79	N	97.5	Very high	97.5	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.214	34%	0.338	C	S	.	.			trans	-67.2	128.5	165.5	-179.6	-30.9	0	0	0	109.2	W66 L67 A81 F82 I83	W66-N79 HydrophobicContact CE3-CB 3.82Å; W66-N79 HydrophobicContact CZ3-CB 3.96Å; W66-N79 VanDerWaalsContact CZ3-N 3.34Å; W66-N79 VanDerWaalsContact O-CB 3.26Å; W66-N79 WeakPolarHBondContact O-CB 3.32Å; W66-N79 PolarHBondContact O-ND2 2.88Å; L67-N79 PolarHBondContact O-N 3.4Å; N79-A81 PolarHBondContact O-N 2.85Å; N79-A81 VanDerWaalsContact O-N 3.1Å; N79-A81 WeakPolarHBondContact OD1-CB 3.4Å; N79-A81 PolarHBondContact OD1-N 2.84Å; N79-F82 HydrophobicContact CB-CD2 3.97Å; N79-F82 PolarHBondContact O-N 2.86Å; N79-I83 PolarHBondContact O-N 3.32Å
80	A	97.1	Very high	97.4	Very high	88 Å²	88	53.9 Å²	53.9	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30	-177.4	0	0	0	0	0	113.6	Y78 F82	Y78-A80 PolarHBondContact O-N 2.95Å; A80-F82 VanDerWaalsContact C-N 3.25Å; A80-F82 PolarHBondContact O-N 2.85Å
81	A	95.3	Very high	97.4	Very high	65 Å²	65	55.2 Å²	55.2	54%	0.537	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23	178	0	0	0	0	0	113.6	N79	N79-A81 PolarHBondContact O-N 2.85Å; N79-A81 VanDerWaalsContact O-N 3.1Å; N79-A81 WeakPolarHBondContact OD1-CB 3.4Å; N79-A81 PolarHBondContact OD1-N 2.84Å
82	F	94.2	Very high	97.4	Very high	8 Å²	8	54 Å²	54	4%	0.035	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-11.3	-172.6	-53.1	-74.4	0	0	0	114.2	R57 E65 L67 N79 A80 S84 R85 L86 M101	R57-F82 VanDerWaalsContact CZ-CE1 3.45Å; R57-F82 VanDerWaalsContact CZ-CZ 3.49Å; E65-F82 HydrophobicContact CG-CE2 4.15Å; E65-F82 WeakPolarHBondContact OE1-CE2 3.02Å; E65-F82 WeakPolarHBondContact OE1-CZ 3.29Å; L67-F82 HydrophobicContact CD2-CD1 4.46Å; L67-F82 HydrophobicContact CD2-CD2 3.57Å; L67-F82 HydrophobicContact CD2-CE2 3.79Å; L67-F82 HydrophobicContact CD2-CG 3.95Å; L67-F82 HydrophobicContact CD2-CZ 4.35Å; N79-F82 HydrophobicContact CB-CD2 3.97Å; N79-F82 PolarHBondContact O-N 2.86Å; A80-F82 VanDerWaalsContact C-N 3.25Å; A80-F82 PolarHBondContact O-N 2.85Å; F82-S84 PolarHBondContact O-N 2.84Å; F82-R85 PolarHBondContact O-N 3.06Å; F82-L86 HydrophobicContact CB-CD1 3.45Å; F82-L86 VanDerWaalsContact CB-CD1 3.45Å; F82-L86 HydrophobicContact CB-CD2 4.46Å; F82-L86 HydrophobicContact CB-CG 3.7Å; F82-L86 HydrophobicContact CG-CD1 4.43Å; F82-L86 WeakPolarHBondContact O-CG 3.38Å; F82-L86 PolarHBondContact O-N 3.46Å; F82-M101 HydrophobicContact CD1-CE 3.71Å; F82-M101 HydrophobicContact CE1-CE 4.44Å; F82-M101 HydrophobicContact CG-CE 4.48Å
83	I	94.6	Very high	97.4	Very high	94 Å²	94	56.5 Å²	56.5	48%	0.482	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.4	-171.9	-169	168.1	0	0	0	114.2	Y78 N79 R85	Y78-I83 HydrophobicContact CD2-CD1 4.08Å; Y78-I83 HydrophobicContact CD2-CG1 3.9Å; Y78-I83 HydrophobicContact CG-CD1 4.43Å; Y78-I83 HydrophobicContact CG-CG1 3.97Å; N79-I83 PolarHBondContact O-N 3.32Å; I83-R85 PolarHBondContact O-N 2.79Å
84	S	96.2	Very high	97.4	Very high	107 Å²	107	58.7 Å²	58.7	75%	0.748	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.3	179.5	58.8	0	0	0	0	114.4	F82	F82-S84 PolarHBondContact O-N 2.84Å
85	R	96.5	Very high	97.4	Very high	29 Å²	29	59.1 Å²	59.1	11%	0.109	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-13.2	-174.1	-59	-169.9	-65	140.6	-0.8	113.6	F82 I83 M101 N102 S103 D108	F82-R85 PolarHBondContact O-N 3.06Å; I83-R85 PolarHBondContact O-N 2.79Å; R85-M101 VanDerWaalsContact NH2-CE 3.28Å; R85-M101 WeakPolarHBondContact O-CA 3.49Å; R85-N102 PolarHBondContact O-N 2.99Å; R85-S103 PolarHBondContact NH1-O 3.36Å; R85-D108 IonicContact CZ-OD1 3.36Å; R85-D108 IonicContact CZ-OD2 2.81Å; R85-D108 IonicContact NH1-OD1 2.63Å; R85-D108 IonicContact NH1-OD2 3.86Å; R85-D108 PolarHBondContact NH1-OD2 3.07Å; R85-D108 IonicContact NH2-OD1 3.2Å; R85-D108 PolarHBondContact NH2-OD1 3.09Å; R85-D108 IonicContact NH2-OD2 2.95Å; R85-D108 PolarHBondContact NH2-OD2 3.23Å
86	L	97.4	Very high	97.4	Very high	14 Å²	14	58.1 Å²	58.1	7%	0.073	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	148.9	-175.8	-64.2	-174.2	0	0	0	113.2	L67 Y78 F82 F99 K100 M101	L67-L86 HydrophobicContact CB-CD1 3.9Å; L67-L86 WeakPolarHBondContact O-CD1 3.42Å; Y78-L86 HydrophobicContact CD1-CB 3.84Å; Y78-L86 HydrophobicContact CD1-CD1 4.31Å; Y78-L86 HydrophobicContact CE1-CB 4.02Å; F82-L86 HydrophobicContact CB-CD1 3.45Å; F82-L86 VanDerWaalsContact CB-CD1 3.45Å; F82-L86 HydrophobicContact CB-CD2 4.46Å; F82-L86 HydrophobicContact CB-CG 3.7Å; F82-L86 HydrophobicContact CG-CD1 4.43Å; F82-L86 WeakPolarHBondContact O-CG 3.38Å; F82-L86 PolarHBondContact O-N 3.46Å; L86-F99 HydrophobicContact CD1-CE2 4.22Å; L86-F99 HydrophobicContact CD2-CE2 3.57Å; L86-F99 HydrophobicContact CD2-CZ 3.45Å; L86-F99 VanDerWaalsContact CD2-CZ 3.45Å; L86-F99 HydrophobicContact CG-CE2 4.41Å; L86-K100 CarbonylContact C-O 3.44Å; L86-K100 WeakPolarHBondContact CA-O 3.28Å; L86-M101 HydrophobicContact CD2-CB 3.7Å; L86-M101 HydrophobicContact CD2-CE 4.11Å; L86-M101 HydrophobicContact CD2-CG 3.59Å; L86-M101 HydrophobicContact CD2-SD 3.64Å
87	S	98.1	Very high	97.4	Very high	57 Å²	57	55.8 Å²	55.8	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	129.1	166.2	179.1	0	0	0	0	109.3	K100	S87-K100 PolarHBondContact N-O 2.6Å; S87-K100 PolarHBondContact O-N 3.3Å
88	I	98.6	Very high	97.4	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.2	176.2	-57.4	161.9	0	0	0	108.4	I70 T76 Y78 V97 F98 F99	I70-I88 HydrophobicContact CB-CG2 3.69Å; I70-I88 HydrophobicContact CG2-CG2 3.65Å; T76-I88 HydrophobicContact CG2-CB 4.47Å; Y78-I88 HydrophobicContact CD1-CD1 4.08Å; Y78-I88 HydrophobicContact CE1-CB 4.29Å; Y78-I88 HydrophobicContact CE1-CD1 3.71Å; Y78-I88 HydrophobicContact CE1-CG1 3.85Å; Y78-I88 PolarHBondContact OH-N 2.82Å; I88-V97 HydrophobicContact CG2-CG1 4.03Å; I88-F98 WeakPolarHBondContact CA-O 3.36Å; I88-F99 HydrophobicContact CG1-CD2 4.05Å
89	S	98.4	Very high	97.4	Very high	55 Å²	55	52.4 Å²	52.4	39%	0.385	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	170	174.9	61.5	0	0	0	0	110.8	V97 F98	S89-V97 CarbonylContact O-C 3.42Å; S89-V97 WeakPolarHBondContact O-CA 3.49Å; S89-V97 WeakPolarHBondContact O-CG1 3.38Å; S89-F98 PolarHBondContact N-O 3.4Å; S89-F98 PolarHBondContact O-N 3.13Å
90	K	98.4	Very high	97.5	Very high	43 Å²	43	54.8 Å²	54.8	19%	0.187	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.8	178.8	70.9	-177.9	-172.4	178.5	0	112.6	L48 I70 W71 S72 N92 Q96 V97	L48-K90 HydrophobicContact CB-CD 4.46Å; L48-K90 HydrophobicContact CD1-CB 4.44Å; L48-K90 PolarHBondContact O-NZ 3.21Å; I70-K90 HydrophobicContact CD1-CB 4.04Å; I70-K90 HydrophobicContact CD1-CD 3.95Å; I70-K90 HydrophobicContact CD1-CG 3.73Å; I70-K90 HydrophobicContact CG1-CD 4.12Å; I70-K90 HydrophobicContact CG1-CG 4.44Å; I70-K90 HydrophobicContact CG2-CD 4.48Å; W71-K90 PolarHBondContact O-NZ 2.85Å; S72-K90 VanDerWaalsContact C-NZ 3.29Å; S72-K90 PolarHBondContact O-NZ 2.84Å; K90-N92 WeakPolarHBondContact CE-OD1 3.44Å; K90-Q96 CarbonylContact C-O 3.52Å; K90-Q96 VanDerWaalsContact CA-O 3.31Å; K90-Q96 WeakPolarHBondContact CA-O 3.38Å; K90-V97 HydrophobicContact CB-CG2 4.08Å
91	D	98.2	Very high	97.5	Very high	37 Å²	37	50.6 Å²	50.6	20%	0.198	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	102.3	170.9	-177.4	-15.9	0	0	0	108.3	S93 K94 S95 Q96 F98	D91-S93 PolarHBondContact O-N 2.82Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.76Å; D91-S93 PolarHBondContact OD1-OG 2.87Å; D91-K94 HydrophobicContact CB-CB 4.43Å; D91-K94 PolarHBondContact O-N 3.43Å; D91-K94 PolarHBondContact OD1-N 3.26Å; D91-K94 VanDerWaalsContact OD2-CD 3.25Å; D91-K94 WeakPolarHBondContact OD2-CD 3.43Å; D91-K94 VanDerWaalsContact OD2-CE 3.28Å; D91-K94 WeakPolarHBondContact OD2-CE 3.43Å; D91-K94 WeakPolarHBondContact OD2-CG 3.46Å; D91-K94 IonicContact OD2-NZ 3.21Å; D91-K94 PolarHBondContact OD2-NZ 3.29Å; D91-S95 PolarHBondContact O-N 3.2Å; D91-S95 VanDerWaalsContact O-N 3.13Å; D91-Q96 PolarHBondContact N-O 3.35Å; D91-Q96 PolarHBondContact O-N 2.96Å; D91-F98 HydrophobicContact CB-CE2 3.85Å; D91-F98 HydrophobicContact CB-CZ 4.37Å
92	N	97.8	Very high	97.5	Very high	73 Å²	73	50 Å²	50	39%	0.39	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64.1	-30.9	-178.5	-66.2	-14.6	0	0	0	112.1	L48 T49 K90 K94 S95	L48-N92 WeakPolarHBondContact CB-OD1 3.45Å; T49-N92 HydrophobicContact CG2-CB 4.48Å; T49-N92 WeakPolarHBondContact CG2-ND2 3.35Å; K90-N92 WeakPolarHBondContact CE-OD1 3.44Å; N92-K94 PolarHBondContact O-N 2.87Å; N92-S95 PolarHBondContact O-N 2.99Å
93	S	97.3	Very high	97.6	Very high	105 Å²	105	53.1 Å²	53.1	73%	0.734	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.5	-25.4	-178.2	73.5	0	0	0	0	112.5	D91	D91-S93 PolarHBondContact O-N 2.82Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.76Å; D91-S93 PolarHBondContact OD1-OG 2.87Å
94	K	97.9	Very high	97.7	Very high	121 Å²	121	49.4 Å²	49.4	53%	0.526	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-104	-0.5	177.9	-62.6	-178.2	-167.7	128.4	0	113.4	D91 N92 Q96	D91-K94 HydrophobicContact CB-CB 4.43Å; D91-K94 PolarHBondContact O-N 3.43Å; D91-K94 PolarHBondContact OD1-N 3.26Å; D91-K94 VanDerWaalsContact OD2-CD 3.25Å; D91-K94 WeakPolarHBondContact OD2-CD 3.43Å; D91-K94 VanDerWaalsContact OD2-CE 3.28Å; D91-K94 WeakPolarHBondContact OD2-CE 3.43Å; D91-K94 WeakPolarHBondContact OD2-CG 3.46Å; D91-K94 IonicContact OD2-NZ 3.21Å; D91-K94 PolarHBondContact OD2-NZ 3.29Å; N92-K94 PolarHBondContact O-N 2.87Å; K94-Q96 HydrophobicContact CB-CB 4.25Å; K94-Q96 HydrophobicContact CB-CG 4.15Å; K94-Q96 WeakPolarHBondContact O-CG 2.99Å; K94-Q96 PolarHBondContact O-N 2.79Å
95	S	97.8	Very high	97.6	Very high	45 Å²	45	49 Å²	49	32%	0.315	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	44.1	-170.8	-57.2	0	0	0	0	112.3	T42 V43 D91 N92	T42-S95 CarbonylContact C-O 3.57Å; T42-S95 WeakPolarHBondContact CA-O 3.29Å; V43-S95 PolarHBondContact N-O 3.02Å; V43-S95 VanDerWaalsContact O-CB 3.3Å; V43-S95 WeakPolarHBondContact O-CB 3.3Å; D91-S95 PolarHBondContact O-N 3.2Å; D91-S95 VanDerWaalsContact O-N 3.13Å; N92-S95 PolarHBondContact O-N 2.99Å
96	Q	98.7	Very high	97.5	Very high	48 Å²	48	51.3 Å²	51.3	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.6	-175.4	-78.2	173	27	0	0	112.4	T40 C41 T42 K90 D91 K94 F98	T40-Q96 HydrophobicContact CG2-CB 4.1Å; T40-Q96 HydrophobicContact CG2-CG 3.86Å; C41-Q96 CarbonylContact O-C 3.54Å; C41-Q96 WeakPolarHBondContact O-CA 3.43Å; T42-Q96 HydrophobicContact CG2-CG 4.3Å; K90-Q96 CarbonylContact C-O 3.52Å; K90-Q96 VanDerWaalsContact CA-O 3.31Å; K90-Q96 WeakPolarHBondContact CA-O 3.38Å; D91-Q96 PolarHBondContact N-O 3.35Å; D91-Q96 PolarHBondContact O-N 2.96Å; K94-Q96 HydrophobicContact CB-CB 4.25Å; K94-Q96 HydrophobicContact CB-CG 4.15Å; K94-Q96 WeakPolarHBondContact O-CG 2.99Å; K94-Q96 PolarHBondContact O-N 2.79Å; Q96-F98 HydrophobicContact CB-CE1 4.17Å; Q96-F98 HydrophobicContact CB-CE2 4.27Å; Q96-F98 HydrophobicContact CB-CZ 3.77Å
97	V	98.8	Very high	97.2	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.2	171	-179.1	0	0	0	0	108.1	T40 C41 L48 V53 W55 I70 I88 S89 K90	T40-V97 CarbonylContact C-O 3.55Å; T40-V97 WeakPolarHBondContact CA-O 3.41Å; C41-V97 HydrophobicContact CB-CB 4.43Å; C41-V97 PolarHBondContact N-O 2.99Å; C41-V97 PolarHBondContact O-N 3.32Å; L48-V97 HydrophobicContact CD1-CG2 3.85Å; L48-V97 HydrophobicContact CD2-CG2 3.62Å; L48-V97 HydrophobicContact CG-CG2 4.42Å; V53-V97 HydrophobicContact CB-CB 4.44Å; V53-V97 HydrophobicContact CB-CG1 4.27Å; V53-V97 HydrophobicContact CB-CG2 3.91Å; V53-V97 HydrophobicContact CG1-CB 4.33Å; V53-V97 HydrophobicContact CG1-CG1 4.24Å; V53-V97 HydrophobicContact CG1-CG2 4.26Å; V53-V97 HydrophobicContact CG2-CG2 3.78Å; W55-V97 HydrophobicContact CZ2-CB 4.49Å; W55-V97 HydrophobicContact CZ2-CG1 4.11Å; I70-V97 HydrophobicContact CG2-CG1 3.74Å; I70-V97 HydrophobicContact CG2-CG2 4.48Å; I88-V97 HydrophobicContact CG2-CG1 4.03Å; S89-V97 CarbonylContact O-C 3.42Å; S89-V97 WeakPolarHBondContact O-CA 3.49Å; S89-V97 WeakPolarHBondContact O-CG1 3.38Å; K90-V97 HydrophobicContact CB-CG2 4.08Å
98	F	98.6	Very high	97.1	Very high	62 Å²	62	52.6 Å²	52.6	27%	0.272	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.1	-178.1	-50.9	-76.5	0	0	0	109.6	T40 I88 S89 D91 Q96	T40-F98 HydrophobicContact CG2-CD1 3.84Å; T40-F98 HydrophobicContact CG2-CE1 3.61Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.34Å; I88-F98 WeakPolarHBondContact CA-O 3.36Å; S89-F98 PolarHBondContact N-O 3.4Å; S89-F98 PolarHBondContact O-N 3.13Å; D91-F98 HydrophobicContact CB-CE2 3.85Å; D91-F98 HydrophobicContact CB-CZ 4.37Å; Q96-F98 HydrophobicContact CB-CE1 4.17Å; Q96-F98 HydrophobicContact CB-CE2 4.27Å; Q96-F98 HydrophobicContact CB-CZ 3.77Å
99	F	98.5	Very high	96.9	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.3	173.3	170.1	-90.9	0	0	0	109.4	L37 S38 I39 W55 L67 L86 I88 M101 Y112	L37-F99 HydrophobicContact CD2-CE1 4.21Å; S38-F99 CarbonylContact C-O 3.53Å; S38-F99 WeakPolarHBondContact CA-O 3.18Å; I39-F99 HydrophobicContact CD1-CD1 4.35Å; I39-F99 PolarHBondContact N-O 3.48Å; I39-F99 PolarHBondContact O-N 3.37Å; W55-F99 HydrophobicContact CB-CD2 3.87Å; W55-F99 HydrophobicContact CB-CE2 4.13Å; W55-F99 AromaticContact CD1-CD2 3.97Å; W55-F99 HydrophobicContact CD2-CB 3.53Å; W55-F99 AromaticContact CD2-CD2 3.84Å; W55-F99 HydrophobicContact CD2-CD2 3.84Å; W55-F99 AromaticContact CD2-CG 3.81Å; W55-F99 HydrophobicContact CD2-CG 3.81Å; W55-F99 HydrophobicContact CE3-CB 3.87Å; W55-F99 HydrophobicContact CE3-CD2 4.33Å; W55-F99 HydrophobicContact CE3-CG 4.01Å; W55-F99 HydrophobicContact CG-CB 4.1Å; W55-F99 AromaticContact CG-CD2 3.59Å; W55-F99 HydrophobicContact CG-CD2 3.59Å; W55-F99 HydrophobicContact CG-CE2 4.34Å; W55-F99 HydrophobicContact CG-CG 4.09Å; W55-F99 HydrophobicContact CH2-CB 3.76Å; W55-F99 HydrophobicContact CZ2-CB 3.44Å; W55-F99 VanDerWaalsContact CZ2-CB 3.44Å; W55-F99 HydrophobicContact CZ3-CB 3.98Å; W55-F99 HydrophobicContact CZ3-CG 4.43Å; L67-F99 HydrophobicContact CB-CE2 4.37Å; L67-F99 HydrophobicContact CD1-CE2 3.92Å; L67-F99 HydrophobicContact CD1-CZ 3.72Å; L86-F99 HydrophobicContact CD1-CE2 4.22Å; L86-F99 HydrophobicContact CD2-CE2 3.57Å; L86-F99 HydrophobicContact CD2-CZ 3.45Å; L86-F99 VanDerWaalsContact CD2-CZ 3.45Å; L86-F99 HydrophobicContact CG-CE2 4.41Å; I88-F99 HydrophobicContact CG1-CD2 4.05Å; F99-M101 HydrophobicContact CE1-CB 3.96Å; F99-M101 HydrophobicContact CZ-CB 4.05Å; F99-M101 HydrophobicContact CZ-SD 4.33Å; F99-Y112 AromaticContact CE1-CD1 3.72Å; F99-Y112 HydrophobicContact CE1-CD1 3.72Å; F99-Y112 AromaticContact CE1-CE1 3.83Å; F99-Y112 HydrophobicContact CE1-CE1 3.83Å; F99-Y112 AromaticContact CZ-CD1 3.93Å; F99-Y112 HydrophobicContact CZ-CD1 3.93Å; F99-Y112 AromaticContact CZ-CE1 3.84Å; F99-Y112 HydrophobicContact CZ-CE1 3.84Å
100	K	98	Very high	96.8	Very high	89 Å²	89	55.5 Å²	55.5	39%	0.387	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136	175.3	-171.2	176	-171.1	-172.2	0	110	L37 L86 S87 N102	L37-K100 VanDerWaalsContact O-CA 3.29Å; L37-K100 WeakPolarHBondContact O-CA 3.33Å; L37-K100 WeakPolarHBondContact O-CG 3.36Å; L86-K100 CarbonylContact C-O 3.44Å; L86-K100 WeakPolarHBondContact CA-O 3.28Å; S87-K100 PolarHBondContact N-O 2.6Å; S87-K100 PolarHBondContact O-N 3.3Å; K100-N102 WeakPolarHBondContact CE-OD1 3.42Å
101	M	97.4	Very high	96.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.4	172.9	-173.6	161.7	-165	0	0	108.7	S36 L37 F82 R85 L86 F99 L104 D108 Y112	S36-M101 CarbonylContact C-O 3.6Å; S36-M101 VanDerWaalsContact CA-O 3.25Å; S36-M101 WeakPolarHBondContact CA-O 3.44Å; L37-M101 HydrophobicContact CB-CB 4.33Å; L37-M101 PolarHBondContact N-O 3.38Å; L37-M101 PolarHBondContact O-N 3.49Å; F82-M101 HydrophobicContact CD1-CE 3.71Å; F82-M101 HydrophobicContact CE1-CE 4.44Å; F82-M101 HydrophobicContact CG-CE 4.48Å; R85-M101 VanDerWaalsContact NH2-CE 3.28Å; R85-M101 WeakPolarHBondContact O-CA 3.49Å; L86-M101 HydrophobicContact CD2-CB 3.7Å; L86-M101 HydrophobicContact CD2-CE 4.11Å; L86-M101 HydrophobicContact CD2-CG 3.59Å; L86-M101 HydrophobicContact CD2-SD 3.64Å; F99-M101 HydrophobicContact CE1-CB 3.96Å; F99-M101 HydrophobicContact CZ-CB 4.05Å; F99-M101 HydrophobicContact CZ-SD 4.33Å; M101-L104 HydrophobicContact CB-CD2 4.39Å; M101-L104 HydrophobicContact CG-CD2 4.08Å; M101-L104 HydrophobicContact SD-CD2 4.32Å; M101-D108 WeakPolarHBondContact CE-OD1 3.05Å; M101-Y112 HydrophobicContact SD-CE1 4.11Å; M101-Y112 PolarHBondContact SD-OH 2.88Å
102	N	96.8	Very high	96.6	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	32%	0.321	S	S	.	.			trans	-93.7	156.7	-178.1	-61.7	-53.2	0	0	0	111.6	S36 R85 K100 L104	S36-N102 PolarHBondContact OG-OD1 2.94Å; R85-N102 PolarHBondContact O-N 2.99Å; K100-N102 WeakPolarHBondContact CE-OD1 3.42Å; N102-L104 PolarHBondContact O-N 2.82Å
103	S	95.6	Very high	96.6	Very high	73 Å²	73	57.6 Å²	57.6	51%	0.51	32%	0.318	S	S	.	.	S	Bend	trans	50.9	58.3	174.9	-54.2	0	0	0	0	111.2	Q35 R85 Q105	Q35-S103 PolarHBondContact O-N 2.75Å; R85-S103 PolarHBondContact NH1-O 3.36Å; S103-Q105 PolarHBondContact O-N 2.84Å
104	L	96	Very high	96.7	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.084	29%	0.286	C	S	.	.			trans	-54.7	136.2	179.6	-73.3	169	0	0	0	110.6	V31 S34 Q35 L37 M101 N102 D108	V31-L104 HydrophobicContact CB-CD1 3.74Å; V31-L104 HydrophobicContact CG1-CD1 3.42Å; V31-L104 VanDerWaalsContact CG1-CD1 3.42Å; S34-L104 PolarHBondContact N-O 3.08Å; Q35-L104 WeakPolarHBondContact O-CG 3.33Å; Q35-L104 PolarHBondContact O-N 2.79Å; L37-L104 HydrophobicContact CB-CD1 3.96Å; L37-L104 HydrophobicContact CB-CD2 4.02Å; L37-L104 HydrophobicContact CB-CG 4.34Å; M101-L104 HydrophobicContact CB-CD2 4.39Å; M101-L104 HydrophobicContact CG-CD2 4.08Å; M101-L104 HydrophobicContact SD-CD2 4.32Å; N102-L104 PolarHBondContact O-N 2.82Å; L104-D108 HydrophobicContact CD2-CB 4.02Å
105	Q	95.1	Very high	96.7	Very high	99 Å²	99	49.2 Å²	49.2	46%	0.463	28%	0.276	S	S	.	.			trans	-108.6	162.6	176.8	-67.9	173.1	22.1	0	0	108.9	S103 D107 D108	S103-Q105 PolarHBondContact O-N 2.84Å; Q105-D107 WeakPolarHBondContact CB-OD1 3.31Å; Q105-D107 PolarHBondContact O-N 2.87Å; Q105-D108 PolarHBondContact N-OD2 2.73Å; Q105-D108 WeakPolarHBondContact O-CB 3.22Å; Q105-D108 PolarHBondContact O-N 3.43Å
106	A	93	Very high	96.4	Very high	77 Å²	77	53.1 Å²	53.1	64%	0.636	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.4	-31.5	-178.4	0	0	0	0	0	112.5	D108 T109	A106-D108 PolarHBondContact O-N 2.95Å; A106-T109 WeakPolarHBondContact O-CB 3.26Å; A106-T109 PolarHBondContact O-N 3.01Å; A106-T109 PolarHBondContact O-OG1 3.36Å
107	D	93.1	Very high	96.3	Very high	91 Å²	91	53.4 Å²	53.4	49%	0.487	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71.5	-12.1	175.8	69.6	-29.6	0	0	0	113.7	Q105 T109	Q105-D107 WeakPolarHBondContact CB-OD1 3.31Å; Q105-D107 PolarHBondContact O-N 2.87Å; D107-T109 PolarHBondContact O-N 3.12Å
108	D	95.4	Very high	96.2	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.032	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-79.7	-0.4	173.1	-61.6	-42.5	0	0	0	113.6	R57 R85 M101 L104 Q105 A106 A110 Y112	R57-D108 IonicContact CZ-OD1 2.8Å; R57-D108 IonicContact NH1-OD1 3.96Å; R57-D108 PolarHBondContact NH1-OD1 2.97Å; R85-D108 IonicContact CZ-OD1 3.36Å; R85-D108 IonicContact CZ-OD2 2.81Å; R85-D108 IonicContact NH1-OD1 2.63Å; R85-D108 IonicContact NH1-OD2 3.86Å; R85-D108 PolarHBondContact NH1-OD2 3.07Å; R85-D108 IonicContact NH2-OD1 3.2Å; R85-D108 PolarHBondContact NH2-OD1 3.09Å; R85-D108 IonicContact NH2-OD2 2.95Å; R85-D108 PolarHBondContact NH2-OD2 3.23Å; M101-D108 WeakPolarHBondContact CE-OD1 3.05Å; L104-D108 HydrophobicContact CD2-CB 4.02Å; Q105-D108 PolarHBondContact N-OD2 2.73Å; Q105-D108 WeakPolarHBondContact O-CB 3.22Å; Q105-D108 PolarHBondContact O-N 3.43Å; A106-D108 PolarHBondContact O-N 2.95Å; D108-A110 PolarHBondContact O-N 3.24Å; D108-Y112 PolarHBondContact O-OH 3.1Å; D108-Y112 VanDerWaalsContact O-OH 3.06Å
109	T	94.9	Very high	96	Very high	99 Å²	99	55.8 Å²	55.8	61%	0.607	30%	0.304	S	S	*	.			trans	-63	102.4	174.5	-55.3	0	0	0	0	110.1	P60 A106 D107	P60-T109 WeakPolarHBondContact CD-O 3.34Å; A106-T109 WeakPolarHBondContact O-CB 3.26Å; A106-T109 PolarHBondContact O-N 3.01Å; A106-T109 PolarHBondContact O-OG1 3.36Å; D107-T109 PolarHBondContact O-N 3.12Å
110	A	95.8	Very high	95.9	Very high	25 Å²	25	59 Å²	59	21%	0.207	32%	0.321	C	S	.	.	S	Bend	trans	-158.5	164.2	-175.9	0	0	0	0	0	110.9	R57 Q58 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.91Å; R57-A110 HydrophobicContact CG-CB 4.24Å; Q58-A110 WeakPolarHBondContact O-CA 3.38Å; Q58-A110 WeakPolarHBondContact O-CB 3.05Å; D108-A110 PolarHBondContact O-N 3.24Å; A110-Y112 HydrophobicContact CB-CE2 4.09Å; A110-Y112 WeakPolarHBondContact O-CD2 3.26Å
111	I	95.9	Very high	95.8	Very high	98 Å²	98	57.1 Å²	57.1	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.1	163.7	-51.2	175.5	0	0	0	107.8	R57 Q58 Y113	R57-I111 CarbonylContact C-O 3.52Å; R57-I111 WeakPolarHBondContact CA-O 3.48Å; Q58-I111 PolarHBondContact N-O 2.86Å; Q58-I111 PolarHBondContact O-N 3.18Å; I111-Y113 HydrophobicContact CB-CE2 3.88Å; I111-Y113 HydrophobicContact CG2-CD1 4.35Å; I111-Y113 HydrophobicContact CG2-CD2 4.45Å; I111-Y113 HydrophobicContact CG2-CE1 3.61Å; I111-Y113 HydrophobicContact CG2-CE2 3.74Å; I111-Y113 WeakPolarHBondContact CG2-OH 3.41Å
112	Y	97.1	Very high	95.6	Very high	18 Å²	18	60.9 Å²	60.9	7%	0.071	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.9	179.8	-70.2	-104	0	0	0	109.7	Q25 L37 I39 V56 R57 L67 F99 M101 D108 A110	Q25-Y112 PolarHBondContact NE2-O 2.71Å; L37-Y112 HydrophobicContact CD2-CD1 4.23Å; L37-Y112 HydrophobicContact CD2-CD2 3.82Å; L37-Y112 HydrophobicContact CD2-CE1 4.07Å; L37-Y112 HydrophobicContact CD2-CE2 3.67Å; L37-Y112 HydrophobicContact CD2-CG 4.11Å; I39-Y112 VanDerWaalsContact CD1-CB 3.48Å; I39-Y112 HydrophobicContact CD1-CG 3.99Å; V56-Y112 CarbonylContact O-C 3.55Å; R57-Y112 HydrophobicContact CB-CD1 3.97Å; R57-Y112 HydrophobicContact CB-CE1 4.07Å; R57-Y112 HydrophobicContact CB-CG 4.27Å; L67-Y112 HydrophobicContact CD1-CD1 3.61Å; L67-Y112 HydrophobicContact CD1-CE1 3.57Å; F99-Y112 AromaticContact CE1-CD1 3.72Å; F99-Y112 HydrophobicContact CE1-CD1 3.72Å; F99-Y112 AromaticContact CE1-CE1 3.83Å; F99-Y112 HydrophobicContact CE1-CE1 3.83Å; F99-Y112 AromaticContact CZ-CD1 3.93Å; F99-Y112 HydrophobicContact CZ-CD1 3.93Å; F99-Y112 AromaticContact CZ-CE1 3.84Å; F99-Y112 HydrophobicContact CZ-CE1 3.84Å; M101-Y112 HydrophobicContact SD-CE1 4.11Å; M101-Y112 PolarHBondContact SD-OH 2.88Å; D108-Y112 PolarHBondContact O-OH 3.1Å; D108-Y112 VanDerWaalsContact O-OH 3.06Å; A110-Y112 HydrophobicContact CB-CE2 4.09Å; A110-Y112 WeakPolarHBondContact O-CD2 3.26Å
113	Y	97.6	Very high	95.6	Very high	82 Å²	82	61.4 Å²	61.4	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.7	-176.9	-57.4	-75.5	0	0	0	110.5	W55 V56 Q58 I111	W55-Y113 WeakPolarHBondContact CA-O 3.4Å; V56-Y113 PolarHBondContact N-O 2.92Å; V56-Y113 PolarHBondContact O-N 3.35Å; Q58-Y113 HydrophobicContact CB-CE2 3.91Å; I111-Y113 HydrophobicContact CB-CE2 3.88Å; I111-Y113 HydrophobicContact CG2-CD1 4.35Å; I111-Y113 HydrophobicContact CG2-CD2 4.45Å; I111-Y113 HydrophobicContact CG2-CE1 3.61Å; I111-Y113 HydrophobicContact CG2-CE2 3.74Å; I111-Y113 WeakPolarHBondContact CG2-OH 3.41Å
114	C	98.2	Very high	95.6	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.4	158.9	59.4	0	0	0	0	109.7	L23 Q25 C41 V53 H54 W55	L23-C114 HydrophobicContact CD2-CB 4.28Å; Q25-C114 VanDerWaalsContact CG-SG 3.52Å; Q25-C114 PolarHBondContact OE1-SG 3.29Å; Q25-C114 VanDerWaalsContact OE1-SG 3.4Å; C41-C114 HydrophobicContact CB-CB 3.5Å; C41-C114 WeakPolarHBondContact CB-SG 3.46Å; C41-C114 WeakPolarHBondContact SG-CB 3.44Å; C41-C114 CovalentContact SG-SG 2.03Å; C41-C114 PolarHBondContact SG-SG 2.84Å; V53-C114 HydrophobicContact CG1-CB 3.92Å; H54-C114 CarbonylContact O-C 3.57Å; H54-C114 VanDerWaalsContact O-CA 3.29Å; H54-C114 WeakPolarHBondContact O-CA 3.47Å; W55-C114 HydrophobicContact CD2-CB 4.21Å; W55-C114 HydrophobicContact CE3-CB 3.96Å; W55-C114 HydrophobicContact CH2-CB 3.85Å; W55-C114 HydrophobicContact CZ2-CB 4.04Å; W55-C114 HydrophobicContact CZ3-CB 3.78Å
115	A	97.6	Very high	95.5	Very high	38 Å²	38	64.3 Å²	64.3	31%	0.314	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.7	179.5	0	0	0	0	0	110.1	V53 H54	V53-A115 CarbonylContact C-O 3.52Å; V53-A115 WeakPolarHBondContact CA-O 3.29Å; H54-A115 HydrophobicContact CB-CB 4.47Å; H54-A115 PolarHBondContact N-O 2.84Å; H54-A115 PolarHBondContact O-N 2.71Å
116	R	92.6	Very high	95.6	Very high	127 Å²	127	61.1 Å²	61.1	48%	0.479	34%	0.339	S	S	.	.			trans	-101.7	0	169.5	-173.4	-168.3	73.1	173.4	1.5	109.2	F46 Y51	F46-R116 VanDerWaalsContact CD2-CD 3.5Å; F46-R116 HydrophobicContact CD2-CG 4.3Å; F46-R116 HydrophobicContact CE1-CB 4.25Å; F46-R116 HydrophobicContact CE1-CG 4.33Å; F46-R116 HydrophobicContact CE2-CB 4.38Å; F46-R116 VanDerWaalsContact CE2-CD 3.49Å; F46-R116 HydrophobicContact CE2-CG 3.84Å; F46-R116 HydrophobicContact CZ-CB 3.88Å; F46-R116 HydrophobicContact CZ-CG 3.84Å; Y51-R116 HydrophobicContact CD1-CG 4.33Å; Y51-R116 HydrophobicContact CG-CG 4.27Å

Retrieved 116 of 116 residues in 66.3 ms (Link to these results)

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