A0A075B5X4_MOUSE Loading...

Immunoglobulin heavy variable V8-11

AlphaFold DB , UniProt , Accession A0A075B5X4, Species MOUSE (Mus musculus, Mouse), Gene Ighv8-11, Length 119 aa.

						>A0A075B5X4_MOUSE|A0A075B5X4|Ighv8-11
MGRLTSSFLLLIVPAYVLSQITQKESGPGILQPSQTLSLTCSFSGFSLSTSGMGVGWIHQPSGNGLEWLAHIWWNDNKYYNTALKSRLTISKDTSNNQVFLKIASVDTADTATYYCARI
					

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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	47.1	Very low	64.6	Low	252 Å²	252	160.5 Å²	160.5	100%	1.241	87%	0.87	S	S	*	*				0	130.1	0	-79.6	102	116.2	0	0	109.3
2	G	50.3	Low	65.2	Low	81 Å²	81	160.5 Å²	160.5	84%	0.835	87%	0.866	S	S	*	*			trans	152	124.1	170	0	0	0	0	0	112.3
3	R	53	Low	65.4	Low	230 Å²	230	157.4 Å²	157.4	87%	0.868	86%	0.855	S	S	*	*			trans	-88.7	136.5	-154.6	-61.8	172.1	170.3	-159.5	-3.5	113.3	T5	R3-T5 HydrophobicContact CB-CG2 4.33Å
4	L	59.6	Low	65.5	Low	185 Å²	185	152.6 Å²	152.6	97%	0.969	84%	0.836	S	S	*	*			trans	-84.5	107.9	158.3	-75.7	165.8	0	0	0	107.9
5	T	69.9	Low	65.4	Low	113 Å²	113	149.1 Å²	149.1	69%	0.693	84%	0.835	S	S	*	*			trans	-107.8	113.2	170.8	48.5	0	0	0	0	109.1	R3	R3-T5 HydrophobicContact CB-CG2 4.33Å
6	S	69.8	Low	65.4	Low	114 Å²	114	152.8 Å²	152.8	80%	0.797	83%	0.834	S	S	*	*			trans	-77.3	118.8	171.8	-179.7	0	0	0	0	109.5
7	S	70.9	Confident	65.3	Low	111 Å²	111	150.1 Å²	150.1	78%	0.776	82%	0.823	S	S	*	*			trans	-92.4	112.8	174.3	-65.5	0	0	0	0	109.8
8	F	74.7	Confident	65	Low	198 Å²	198	150.6 Å²	150.6	87%	0.868	82%	0.824	S	S	*	*			trans	-68.9	125.4	165.6	-106.2	-101.7	0	0	0	109.5
9	L	74.6	Confident	65.1	Low	161 Å²	161	148.2 Å²	148.2	84%	0.843	82%	0.819	S	S	*	*			trans	-86.2	112.8	172.3	-143.9	87.8	0	0	0	108.9
10	L	69.2	Low	65.5	Low	158 Å²	158	147.2 Å²	147.2	83%	0.827	81%	0.808	S	S	*	*			trans	-85.5	119.4	171.3	-83.5	145.8	0	0	0	109.3	I12	L10-I12 PolarHBondContact O-N 2.99Å
11	L	71.5	Confident	66.2	Low	162 Å²	162	145 Å²	145	85%	0.848	79%	0.794	S	S	*	*			trans	-73.8	109.6	170.8	-73.1	160.7	0	0	0	109.1	V13	L11-V13 PolarHBondContact O-N 3.36Å
12	I	71.9	Confident	68.1	Low	161 Å²	161	135.6 Å²	135.6	83%	0.826	75%	0.751	S	S	*	*			trans	-76.9	111.9	172.5	-58.4	172.5	0	0	0	107.8	L10	L10-I12 PolarHBondContact O-N 2.99Å
13	V	67.4	Low	69.9	Low	120 Å²	120	135.5 Å²	135.5	73%	0.727	73%	0.729	S	S	*	*			trans	-79.5	121.5	171.6	-175.6	0	0	0	0	108.3	L11 A15	L11-V13 PolarHBondContact O-N 3.36Å; V13-A15 PolarHBondContact O-N 3.35Å
14	P	66.7	Low	71.9	Confident	91 Å²	91	131.4 Å²	131.4	59%	0.591	72%	0.717	S	S	*	*			trans	-65.6	126.4	-179.9	22.9	-29.9	0	0	0	111.2	Y16	P14-Y16 PolarHBondContact O-N 3.23Å
15	A	65	Low	73.6	Confident	99 Å²	99	125.7 Å²	125.7	82%	0.818	69%	0.686	S	S	*	*	S	Bend	trans	-71.8	23.5	-176.2	0	0	0	0	0	115.2	V13	V13-A15 PolarHBondContact O-N 3.35Å
16	Y	65.6	Low	74.9	Confident	208 Å²	208	123 Å²	123	82%	0.816	67%	0.671	S	S	*	*			trans	-120	26.6	-171.4	-63.1	-76.3	0	0	0	113.9	P14 L18	P14-Y16 PolarHBondContact O-N 3.23Å; Y16-L18 VanDerWaalsContact C-N 3.32Å; Y16-L18 PolarHBondContact O-N 3.42Å
17	V	63.6	Low	76.2	Confident	107 Å²	107	119.8 Å²	119.8	65%	0.648	66%	0.656	S	S	*	*			trans	-76.5	90	171.8	-173.9	0	0	0	0	108.7
18	L	60.2	Low	77.3	Confident	160 Å²	160	117.2 Å²	117.2	84%	0.838	64%	0.637	S	S	*	*			trans	-66.2	134.5	163.7	-62.4	172.5	0	0	0	108	Y16 Q20	Y16-L18 VanDerWaalsContact C-N 3.32Å; Y16-L18 PolarHBondContact O-N 3.42Å; L18-Q20 PolarHBondContact O-N 2.79Å
19	S	66.6	Low	78.2	Confident	105 Å²	105	111.7 Å²	111.7	73%	0.734	64%	0.636	S	S	*	*			trans	-26.5	116.3	-173	-175	0	0	0	0	115.2
20	Q	71.9	Confident	79.1	Confident	127 Å²	127	111.4 Å²	111.4	59%	0.593	63%	0.634	S	S	*	*			trans	-86.6	131.7	173.5	57.7	179.9	33	0	0	110.3	L18 T22 S44	L18-Q20 PolarHBondContact O-N 2.79Å; Q20-T22 HydrophobicContact CG-CG2 3.86Å; Q20-T22 PolarHBondContact O-N 3.3Å; Q20-S44 PolarHBondContact O-OG 2.87Å
21	I	81.3	Confident	80.4	Confident	102 Å²	102	106.5 Å²	106.5	52%	0.523	61%	0.608	S	S	.	*			trans	-77.3	115	164.3	-65.2	170	0	0	0	106.4	S44 F46	I21-S44 WeakPolarHBondContact CA-O 3.48Å; I21-F46 HydrophobicContact CG2-CD1 4.13Å; I21-F46 HydrophobicContact CG2-CE1 4.22Å
22	T	85.9	Confident	81.6	Confident	54 Å²	54	104.7 Å²	104.7	33%	0.331	60%	0.595	S	S	.	*			trans	-106.8	141.1	171.9	67.1	0	0	0	0	110.3	Q20 F43 S44	Q20-T22 HydrophobicContact CG-CG2 3.86Å; Q20-T22 PolarHBondContact O-N 3.3Å; T22-F43 CarbonylContact O-C 3.52Å; T22-F43 VanDerWaalsContact O-CA 3.29Å; T22-F43 WeakPolarHBondContact O-CA 3.38Å; T22-S44 WeakPolarHBondContact CB-OG 3.4Å; T22-S44 PolarHBondContact N-O 3.31Å; T22-S44 PolarHBondContact N-OG 2.76Å; T22-S44 VanDerWaalsContact N-OG 3.14Å; T22-S44 PolarHBondContact O-N 2.76Å; T22-S44 WeakPolarHBondContact OG1-CB 3.38Å; T22-S44 PolarHBondContact OG1-OG 3.34Å
23	Q	89.1	Confident	82.7	Confident	80 Å²	80	101 Å²	101	37%	0.374	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	137.6	168.6	-179.6	-179.1	-67.5	0	0	108	E25 S42 F43 C116	Q23-E25 PolarHBondContact NE2-OE1 2.87Å; Q23-S42 WeakPolarHBondContact CA-O 3.2Å; Q23-F43 HydrophobicContact CB-CD1 4.14Å; Q23-F43 HydrophobicContact CB-CE1 4.23Å; Q23-F43 HydrophobicContact CG-CD1 4.01Å; Q23-F43 HydrophobicContact CG-CE1 3.68Å; Q23-F43 HydrophobicContact CG-CZ 4.47Å; Q23-C116 VanDerWaalsContact CD-O 3.32Å; Q23-C116 WeakPolarHBondContact CG-SG 3.36Å; Q23-C116 PolarHBondContact NE2-O 2.94Å; Q23-C116 PolarHBondContact NE2-SG 2.81Å; Q23-C116 PolarHBondContact OE1-O 2.88Å
24	K	94.2	Very high	84.1	Confident	143 Å²	143	99.9 Å²	99.9	62%	0.622	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-142	117.1	177	-177.8	-180	178.6	-179	0	111.5	C41 S42	K24-C41 WeakPolarHBondContact O-CA 3.38Å; K24-S42 PolarHBondContact N-O 2.83Å; K24-S42 PolarHBondContact O-N 3.25Å
25	E	96.5	Very high	85.6	Confident	65 Å²	65	99.7 Å²	99.7	30%	0.304	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.1	146.5	168.7	-59.7	83.7	171.4	0	0	111.1	Q23 T40 W57 C116	Q23-E25 PolarHBondContact NE2-OE1 2.87Å; E25-T40 CarbonylContact C-O 3.58Å; E25-T40 WeakPolarHBondContact CA-O 3.19Å; E25-W57 HydrophobicContact CG-CH2 4.29Å; E25-W57 HydrophobicContact CG-CZ3 4.03Å; E25-C116 PolarHBondContact OE1-N 2.64Å; E25-C116 VanDerWaalsContact OE1-N 3.1Å; E25-C116 PolarHBondContact OE1-SG 3.15Å
26	S	97.1	Very high	87.1	Confident	56 Å²	56	98.4 Å²	98.4	39%	0.392	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.7	152.6	172.9	55.8	0	0	0	0	110.5	L39 T40	S26-L39 CarbonylContact O-C 3.52Å; S26-L39 WeakPolarHBondContact O-CA 3.29Å; S26-T40 PolarHBondContact N-O 3.43Å; S26-T40 PolarHBondContact O-N 3.35Å; S26-T40 PolarHBondContact OG-O 3.38Å
27	G	96.6	Very high	88.7	Confident	47 Å²	47	89.1 Å²	89.1	49%	0.485	52%	0.517	S	S	.	.			trans	173.8	178.1	-177.6	0	0	0	0	0	111.4
28	P	94	Very high	90.3	Very high	57 Å²	57	86.5 Å²	86.5	37%	0.37	50%	0.503	S	S	.	.			trans	-67	139.6	172.3	30.4	-34.3	0	0	0	110	L31 L37 S38	P28-L31 HydrophobicContact CB-CD2 3.8Å; P28-L31 HydrophobicContact CB-CG 4.11Å; P28-L31 HydrophobicContact CG-CD1 3.78Å; P28-L31 HydrophobicContact CG-CD2 3.81Å; P28-L31 HydrophobicContact CG-CG 3.9Å; P28-L37 HydrophobicContact CG-CD1 3.59Å; P28-S38 WeakPolarHBondContact CD-O 3.44Å
29	G	93.5	Very high	92.2	Very high	82 Å²	82	79.5 Å²	79.5	85%	0.845	47%	0.467	S	S	*	.	S	Bend	trans	-79.7	-37	178.5	0	0	0	0	0	113.7
30	I	94.5	Very high	93.7	Very high	155 Å²	155	76 Å²	76	80%	0.795	44%	0.441	S	S	*	.			trans	-133.7	134.5	-179.3	-59.5	174.4	0	0	0	108.1
31	L	95.5	Very high	94.9	Very high	55 Å²	55	69.9 Å²	69.9	29%	0.288	41%	0.412	S	S	.	.			trans	-130.2	153.1	175	-67.4	174.8	0	0	0	109.9	P28 Q35 L37 V106	P28-L31 HydrophobicContact CB-CD2 3.8Å; P28-L31 HydrophobicContact CB-CG 4.11Å; P28-L31 HydrophobicContact CG-CD1 3.78Å; P28-L31 HydrophobicContact CG-CD2 3.81Å; P28-L31 HydrophobicContact CG-CG 3.9Å; L31-Q35 HydrophobicContact CB-CB 4.5Å; L31-L37 HydrophobicContact CD1-CB 3.68Å; L31-L37 HydrophobicContact CD1-CD1 3.68Å; L31-L37 HydrophobicContact CD1-CG 4.29Å; L31-V106 HydrophobicContact CB-CG2 4.33Å; L31-V106 HydrophobicContact CD1-CG2 4.43Å
32	Q	95.9	Very high	95.7	Very high	124 Å²	124	66.5 Å²	66.5	58%	0.579	40%	0.398	S	S	*	.			trans	-81.8	153.3	167.9	-61.1	-59.3	-46	0	0	110	Q35	Q32-Q35 HydrophobicContact CB-CG 4.17Å; Q32-Q35 VanDerWaalsContact O-CB 3.29Å; Q32-Q35 WeakPolarHBondContact O-CB 3.28Å; Q32-Q35 WeakPolarHBondContact O-CG 3.35Å; Q32-Q35 PolarHBondContact O-N 2.88Å
33	P	95.4	Very high	95.9	Very high	84 Å²	84	64.7 Å²	64.7	55%	0.545	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	151.8	172.8	-26.1	35.1	0	0	0	112.5	Q35 V106	P33-Q35 PolarHBondContact O-N 3.32Å; P33-V106 CarbonylContact C-O 3.47Å; P33-V106 WeakPolarHBondContact CA-O 3.35Å
34	S	96.6	Very high	96.1	Very high	96 Å²	96	62.9 Å²	62.9	67%	0.671	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-4.6	-176.3	-49.7	0	0	0	0	116.1	V106	S34-V106 PolarHBondContact N-O 3.06Å
35	Q	97.9	Very high	95.9	Very high	88 Å²	88	58.3 Å²	58.3	41%	0.411	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.6	170.1	171	-65.4	-172.5	-39.7	0	0	111.4	L31 Q32 P33 S105 V106	L31-Q35 HydrophobicContact CB-CB 4.5Å; Q32-Q35 HydrophobicContact CB-CG 4.17Å; Q32-Q35 VanDerWaalsContact O-CB 3.29Å; Q32-Q35 WeakPolarHBondContact O-CB 3.28Å; Q32-Q35 WeakPolarHBondContact O-CG 3.35Å; Q32-Q35 PolarHBondContact O-N 2.88Å; P33-Q35 PolarHBondContact O-N 3.32Å; Q35-S105 PolarHBondContact O-N 2.79Å; Q35-V106 WeakPolarHBondContact O-CG2 3.49Å; Q35-V106 PolarHBondContact O-N 3.19Å
36	T	98	Very high	95.6	Very high	72 Å²	72	56.7 Å²	56.7	44%	0.442	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-102.5	118	174.3	-61.8	0	0	0	0	109.5	K102 I103	T36-K102 HydrophobicContact CG2-CB 4.21Å; T36-I103 CarbonylContact C-O 3.48Å; T36-I103 WeakPolarHBondContact CA-O 3.42Å
37	L	98.2	Very high	95.4	Very high	13 Å²	13	56 Å²	56	7%	0.068	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.1	168.5	175	61.4	0	0	0	109.1	P28 L31 L39 K102 I103 V106 Y114	P28-L37 HydrophobicContact CG-CD1 3.59Å; L31-L37 HydrophobicContact CD1-CB 3.68Å; L31-L37 HydrophobicContact CD1-CD1 3.68Å; L31-L37 HydrophobicContact CD1-CG 4.29Å; L37-L39 HydrophobicContact CD1-CD2 3.73Å; L37-L39 HydrophobicContact CD1-CG 4.09Å; L37-L39 HydrophobicContact CD2-CD1 4.16Å; L37-L39 HydrophobicContact CD2-CD2 4.43Å; L37-L39 HydrophobicContact CD2-CG 4.22Å; L37-L39 HydrophobicContact CG-CD1 4.46Å; L37-L39 HydrophobicContact CG-CD2 4.18Å; L37-L39 HydrophobicContact CG-CG 3.99Å; L37-K102 CarbonylContact O-C 3.52Å; L37-K102 WeakPolarHBondContact O-CA 3.38Å; L37-I103 HydrophobicContact CB-CB 4.24Å; L37-I103 HydrophobicContact CD2-CD1 4.09Å; L37-I103 HydrophobicContact CD2-CG1 4.4Å; L37-I103 PolarHBondContact N-O 3.08Å; L37-I103 PolarHBondContact O-N 2.74Å; L37-V106 HydrophobicContact CB-CG1 3.67Å; L37-Y114 HydrophobicContact CD2-CD2 4.43Å; L37-Y114 HydrophobicContact CD2-CE1 4.07Å; L37-Y114 HydrophobicContact CD2-CE2 3.76Å
38	S	98.2	Very high	95.4	Very high	51 Å²	51	54 Å²	54	36%	0.357	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.5	173.7	-63.4	0	0	0	0	109.1	P28 L101	P28-S38 WeakPolarHBondContact CD-O 3.44Å; S38-L101 WeakPolarHBondContact CA-O 3.27Å
39	L	98.6	Very high	95.5	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.1	178.7	-58.5	175.2	0	0	0	110.2	S26 L37 W57 F100 L101 Y114	S26-L39 CarbonylContact O-C 3.52Å; S26-L39 WeakPolarHBondContact O-CA 3.29Å; L37-L39 HydrophobicContact CD1-CD2 3.73Å; L37-L39 HydrophobicContact CD1-CG 4.09Å; L37-L39 HydrophobicContact CD2-CD1 4.16Å; L37-L39 HydrophobicContact CD2-CD2 4.43Å; L37-L39 HydrophobicContact CD2-CG 4.22Å; L37-L39 HydrophobicContact CG-CD1 4.46Å; L37-L39 HydrophobicContact CG-CD2 4.18Å; L37-L39 HydrophobicContact CG-CG 3.99Å; L39-W57 HydrophobicContact CB-CH2 3.55Å; L39-W57 HydrophobicContact CB-CZ2 3.95Å; L39-W57 HydrophobicContact CB-CZ3 3.94Å; L39-W57 HydrophobicContact CD1-CE3 4.13Å; L39-W57 HydrophobicContact CD1-CH2 4.35Å; L39-W57 HydrophobicContact CD1-CZ3 3.86Å; L39-F100 VanDerWaalsContact O-CA 3.26Å; L39-F100 WeakPolarHBondContact O-CA 3.36Å; L39-L101 HydrophobicContact CB-CB 4.4Å; L39-L101 HydrophobicContact CD1-CD2 4.33Å; L39-L101 PolarHBondContact N-O 2.9Å; L39-L101 PolarHBondContact O-N 2.72Å; L39-Y114 HydrophobicContact CD1-CD1 3.39Å; L39-Y114 HydrophobicContact CD1-CD2 4.08Å; L39-Y114 HydrophobicContact CD1-CE1 4.08Å; L39-Y114 HydrophobicContact CD1-CG 3.38Å
40	T	98.5	Very high	95.6	Very high	30 Å²	30	54.1 Å²	54.1	18%	0.184	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.1	174.8	-56.7	0	0	0	0	108.9	E25 S26 Q98 F100	E25-T40 CarbonylContact C-O 3.58Å; E25-T40 WeakPolarHBondContact CA-O 3.19Å; S26-T40 PolarHBondContact N-O 3.43Å; S26-T40 PolarHBondContact O-N 3.35Å; S26-T40 PolarHBondContact OG-O 3.38Å; T40-Q98 HydrophobicContact CG2-CB 4.27Å; T40-Q98 HydrophobicContact CG2-CG 4.04Å; T40-F100 HydrophobicContact CG2-CD1 3.92Å; T40-F100 HydrophobicContact CG2-CE1 3.58Å; T40-F100 HydrophobicContact CG2-CZ 4.42Å; T40-F100 WeakPolarHBondContact OG1-CD1 3.32Å; T40-F100 WeakPolarHBondContact OG1-CE1 3.4Å
41	C	97.8	Very high	95.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121	169.6	178.3	0	0	0	0	109.5	K24 F43 W57 Q98 V99 C116	K24-C41 WeakPolarHBondContact O-CA 3.38Å; C41-F43 HydrophobicContact CB-CE2 4.16Å; C41-F43 HydrophobicContact CB-CZ 4.34Å; C41-F43 WeakPolarHBondContact SG-CE2 3.38Å; C41-F43 WeakPolarHBondContact SG-CZ 3.4Å; C41-W57 HydrophobicContact CB-CH2 3.64Å; C41-W57 HydrophobicContact CB-CZ2 3.4Å; C41-W57 VanDerWaalsContact CB-CZ2 3.4Å; C41-Q98 CarbonylContact O-C 3.53Å; C41-Q98 VanDerWaalsContact O-CA 3.25Å; C41-Q98 WeakPolarHBondContact O-CA 3.21Å; C41-V99 PolarHBondContact N-O 3.43Å; C41-V99 PolarHBondContact O-N 2.76Å; C41-C116 HydrophobicContact CB-CB 3.4Å; C41-C116 WeakPolarHBondContact CB-SG 3.49Å; C41-C116 WeakPolarHBondContact SG-CB 3.42Å; C41-C116 CovalentContact SG-SG 2Å; C41-C116 PolarHBondContact SG-SG 3Å
42	S	96.8	Very high	95.7	Very high	31 Å²	31	50.6 Å²	50.6	22%	0.217	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.4	-180	-58.8	0	0	0	0	110.2	Q23 K24 Q98	Q23-S42 WeakPolarHBondContact CA-O 3.2Å; K24-S42 PolarHBondContact N-O 2.83Å; K24-S42 PolarHBondContact O-N 3.25Å; S42-Q98 WeakPolarHBondContact OG-CG 3.39Å; S42-Q98 PolarHBondContact OG-NE2 3.37Å
43	F	91.9	Very high	95.7	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.066	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.9	-179.2	-58.6	-86.9	0	0	0	112.6	T22 Q23 C41 F46 V55 N97 V99 C116	T22-F43 CarbonylContact O-C 3.52Å; T22-F43 VanDerWaalsContact O-CA 3.29Å; T22-F43 WeakPolarHBondContact O-CA 3.38Å; Q23-F43 HydrophobicContact CB-CD1 4.14Å; Q23-F43 HydrophobicContact CB-CE1 4.23Å; Q23-F43 HydrophobicContact CG-CD1 4.01Å; Q23-F43 HydrophobicContact CG-CE1 3.68Å; Q23-F43 HydrophobicContact CG-CZ 4.47Å; C41-F43 HydrophobicContact CB-CE2 4.16Å; C41-F43 HydrophobicContact CB-CZ 4.34Å; C41-F43 WeakPolarHBondContact SG-CE2 3.38Å; C41-F43 WeakPolarHBondContact SG-CZ 3.4Å; F43-F46 HydrophobicContact CB-CD1 4.35Å; F43-F46 HydrophobicContact CB-CE1 3.59Å; F43-F46 HydrophobicContact CB-CE2 4.34Å; F43-F46 HydrophobicContact CB-CZ 3.6Å; F43-F46 AromaticContact CD1-CE1 3.41Å; F43-F46 HydrophobicContact CD1-CE1 3.41Å; F43-F46 VanDerWaalsContact CD1-CE1 3.41Å; F43-F46 HydrophobicContact CD1-CE2 4.5Å; F43-F46 AromaticContact CD1-CZ 3.27Å; F43-F46 HydrophobicContact CD1-CZ 3.27Å; F43-F46 AromaticContact CD2-CZ 3.96Å; F43-F46 HydrophobicContact CD2-CZ 3.96Å; F43-F46 HydrophobicContact CE1-CE1 4.19Å; F43-F46 AromaticContact CE1-CZ 3.77Å; F43-F46 HydrophobicContact CE1-CZ 3.77Å; F43-F46 HydrophobicContact CE2-CZ 4.42Å; F43-F46 AromaticContact CG-CE1 3.68Å; F43-F46 HydrophobicContact CG-CE1 3.68Å; F43-F46 HydrophobicContact CG-CE2 4.25Å; F43-F46 AromaticContact CG-CZ 3.33Å; F43-F46 HydrophobicContact CG-CZ 3.33Å; F43-F46 HydrophobicContact CZ-CZ 4.3Å; F43-V55 HydrophobicContact CE2-CB 4.38Å; F43-V55 HydrophobicContact CE2-CG1 3.73Å; F43-V55 HydrophobicContact CE2-CG2 3.77Å; F43-V55 HydrophobicContact CZ-CB 4.27Å; F43-V55 HydrophobicContact CZ-CG1 3.48Å; F43-V55 VanDerWaalsContact CZ-CG1 3.48Å; F43-V55 HydrophobicContact CZ-CG2 3.7Å; F43-N97 WeakPolarHBondContact CB-ND2 3.26Å; F43-N97 PolarHBondContact N-O 2.77Å; F43-N97 VanDerWaalsContact N-O 3.11Å; F43-N97 PolarHBondContact O-ND2 3.34Å; F43-V99 HydrophobicContact CE2-CB 4.46Å; F43-V99 HydrophobicContact CE2-CG2 4.11Å; F43-C116 HydrophobicContact CZ-CB 4.29Å
44	S	92.1	Very high	95.8	Very high	42 Å²	42	42 Å²	42	29%	0.294	28%	0.281	S	S	.	.			trans	-128.3	160.5	163.5	77.6	0	0	0	0	110.6	Q20 I21 T22 F46	Q20-S44 PolarHBondContact O-OG 2.87Å; I21-S44 WeakPolarHBondContact CA-O 3.48Å; T22-S44 WeakPolarHBondContact CB-OG 3.4Å; T22-S44 PolarHBondContact N-O 3.31Å; T22-S44 PolarHBondContact N-OG 2.76Å; T22-S44 VanDerWaalsContact N-OG 3.14Å; T22-S44 PolarHBondContact O-N 2.76Å; T22-S44 WeakPolarHBondContact OG1-CB 3.38Å; T22-S44 PolarHBondContact OG1-OG 3.34Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 PolarHBondContact O-N 2.85Å
45	G	89.6	Confident	95.8	Very high	48 Å²	48	37.4 Å²	37.4	50%	0.495	25%	0.249	S	C	.	.	S	Bend	trans	84.5	-5.1	177.6	0	0	0	0	0	115.9
46	F	90.6	Very high	95.8	Very high	30 Å²	30	33.2 Å²	33.2	13%	0.132	23%	0.229	C	C	.	.	S	Bend	trans	-149.6	163.7	168.9	70	-88.4	0	0	0	111.4	I21 F43 S44 L48 M53 V55 N97 R118	I21-F46 HydrophobicContact CG2-CD1 4.13Å; I21-F46 HydrophobicContact CG2-CE1 4.22Å; F43-F46 HydrophobicContact CB-CD1 4.35Å; F43-F46 HydrophobicContact CB-CE1 3.59Å; F43-F46 HydrophobicContact CB-CE2 4.34Å; F43-F46 HydrophobicContact CB-CZ 3.6Å; F43-F46 AromaticContact CD1-CE1 3.41Å; F43-F46 HydrophobicContact CD1-CE1 3.41Å; F43-F46 VanDerWaalsContact CD1-CE1 3.41Å; F43-F46 HydrophobicContact CD1-CE2 4.5Å; F43-F46 AromaticContact CD1-CZ 3.27Å; F43-F46 HydrophobicContact CD1-CZ 3.27Å; F43-F46 AromaticContact CD2-CZ 3.96Å; F43-F46 HydrophobicContact CD2-CZ 3.96Å; F43-F46 HydrophobicContact CE1-CE1 4.19Å; F43-F46 AromaticContact CE1-CZ 3.77Å; F43-F46 HydrophobicContact CE1-CZ 3.77Å; F43-F46 HydrophobicContact CE2-CZ 4.42Å; F43-F46 AromaticContact CG-CE1 3.68Å; F43-F46 HydrophobicContact CG-CE1 3.68Å; F43-F46 HydrophobicContact CG-CE2 4.25Å; F43-F46 AromaticContact CG-CZ 3.33Å; F43-F46 HydrophobicContact CG-CZ 3.33Å; F43-F46 HydrophobicContact CZ-CZ 4.3Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 PolarHBondContact O-N 2.85Å; F46-L48 HydrophobicContact CE2-CD2 4.16Å; F46-M53 HydrophobicContact CB-CE 4.17Å; F46-M53 HydrophobicContact CD2-CE 3.7Å; F46-M53 HydrophobicContact CD2-CG 4.06Å; F46-M53 HydrophobicContact CD2-SD 3.59Å; F46-M53 VanDerWaalsContact CD2-SD 3.59Å; F46-M53 HydrophobicContact CE2-CE 4.44Å; F46-M53 HydrophobicContact CE2-CG 4.06Å; F46-M53 HydrophobicContact CE2-SD 3.72Å; F46-M53 HydrophobicContact CG-CE 4.21Å; F46-M53 HydrophobicContact CG-SD 4.45Å; F46-V55 HydrophobicContact CE2-CG2 4.42Å; F46-V55 HydrophobicContact CZ-CG2 4.45Å; F46-N97 PolarHBondContact O-ND2 3.04Å; F46-N97 PolarHBondContact O-OD1 3.09Å; F46-R118 HydrophobicContact CE2-CG 4.43Å; F46-R118 HydrophobicContact CZ-CB 4.4Å; F46-R118 HydrophobicContact CZ-CG 4.26Å
47	S	94.1	Very high	95.8	Very high	41 Å²	41	29.8 Å²	29.8	29%	0.287	21%	0.208	S	C	.	.			trans	-107.8	134.5	176.1	176.4	0	0	0	0	112.1	S49 T50	S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 PolarHBondContact OG-N 3.3Å; S47-S49 VanDerWaalsContact OG-N 3.12Å; S47-S49 PolarHBondContact OG-OG 2.84Å; S47-T50 VanDerWaalsContact O-CB 3.27Å; S47-T50 WeakPolarHBondContact O-CB 3.29Å; S47-T50 PolarHBondContact O-N 3.23Å; S47-T50 PolarHBondContact O-OG1 3.34Å
48	L	95.7	Very high	95.8	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.4	170.7	-69.4	173.6	0	0	0	114.6	F46 V55 K92 T94 N97 Q98 V99	F46-L48 HydrophobicContact CE2-CD2 4.16Å; L48-V55 HydrophobicContact CD2-CB 4.42Å; L48-V55 HydrophobicContact CD2-CG2 3.55Å; L48-K92 HydrophobicContact CB-CD 4.46Å; L48-K92 HydrophobicContact CD1-CB 4.21Å; L48-T94 HydrophobicContact CB-CG2 4.18Å; L48-N97 WeakPolarHBondContact CG-OD1 3.32Å; L48-N97 PolarHBondContact N-OD1 3.31Å; L48-N97 VanDerWaalsContact N-OD1 3.08Å; L48-Q98 WeakPolarHBondContact CD1-O 3.39Å; L48-V99 HydrophobicContact CD1-CG2 3.68Å; L48-V99 HydrophobicContact CD2-CG2 3.78Å; L48-V99 HydrophobicContact CG-CG2 4.42Å
49	S	95.5	Very high	95.7	Very high	76 Å²	76	28.4 Å²	28.4	53%	0.531	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-5	173.3	65.3	0	0	0	0	113.7	S47 S51	S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 PolarHBondContact OG-N 3.3Å; S47-S49 VanDerWaalsContact OG-N 3.12Å; S47-S49 PolarHBondContact OG-OG 2.84Å; S49-S51 PolarHBondContact O-N 2.73Å
50	T	96.1	Very high	95.7	Very high	67 Å²	67	31.1 Å²	31.1	41%	0.411	21%	0.209	S	C	.	.	S	Bend	trans	-63.5	128.4	178.1	-50.4	0	0	0	0	109.6	S47 G52 M53 W74	S47-T50 VanDerWaalsContact O-CB 3.27Å; S47-T50 WeakPolarHBondContact O-CB 3.29Å; S47-T50 PolarHBondContact O-N 3.23Å; S47-T50 PolarHBondContact O-OG1 3.34Å; T50-G52 PolarHBondContact O-N 2.68Å; T50-M53 HydrophobicContact CG2-CE 4.32Å; T50-M53 WeakPolarHBondContact O-CB 3.43Å; T50-M53 PolarHBondContact O-N 3.28Å; T50-W74 WeakPolarHBondContact O-CB 3.37Å
51	S	96.9	Very high	95.5	Very high	92 Å²	92	30.7 Å²	30.7	64%	0.643	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	135.2	178.1	-173.9	0	0	0	0	111.2	S49 M53	S49-S51 PolarHBondContact O-N 2.73Å; S51-M53 VanDerWaalsContact C-N 3.28Å; S51-M53 PolarHBondContact O-N 3.1Å
52	G	96	Very high	95.3	Very high	44 Å²	44	36.3 Å²	36.3	45%	0.454	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	2.1	-175.3	0	0	0	0	0	115	T50 W73 W74	T50-G52 PolarHBondContact O-N 2.68Å; G52-W73 VanDerWaalsContact O-CZ3 3.26Å; G52-W73 WeakPolarHBondContact O-CZ3 3.43Å; G52-W74 VanDerWaalsContact N-NE1 3.13Å
53	M	95.9	Very high	95.1	Very high	25 Å²	25	38.8 Å²	38.8	12%	0.123	28%	0.276	C	S	.	.			trans	-76.6	129	178.6	-169.5	63.5	62.1	0	0	111.6	F46 T50 S51 W73 W74 R118	F46-M53 HydrophobicContact CB-CE 4.17Å; F46-M53 HydrophobicContact CD2-CE 3.7Å; F46-M53 HydrophobicContact CD2-CG 4.06Å; F46-M53 HydrophobicContact CD2-SD 3.59Å; F46-M53 VanDerWaalsContact CD2-SD 3.59Å; F46-M53 HydrophobicContact CE2-CE 4.44Å; F46-M53 HydrophobicContact CE2-CG 4.06Å; F46-M53 HydrophobicContact CE2-SD 3.72Å; F46-M53 HydrophobicContact CG-CE 4.21Å; F46-M53 HydrophobicContact CG-SD 4.45Å; T50-M53 HydrophobicContact CG2-CE 4.32Å; T50-M53 WeakPolarHBondContact O-CB 3.43Å; T50-M53 PolarHBondContact O-N 3.28Å; S51-M53 VanDerWaalsContact C-N 3.28Å; S51-M53 PolarHBondContact O-N 3.1Å; M53-W73 CarbonylContact O-C 3.48Å; M53-W73 WeakPolarHBondContact O-CA 3.28Å; M53-W74 HydrophobicContact CB-CB 4.26Å; M53-W74 PolarHBondContact O-N 2.86Å; M53-R118 WeakPolarHBondContact SD-CD 3.49Å; M53-R118 HydrophobicContact SD-CG 3.52Å; M53-R118 VanDerWaalsContact SD-CG 3.52Å
54	G	96.6	Very high	95.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.5	170.8	0	0	0	0	0	111.8	R118 I119	G54-R118 WeakPolarHBondContact O-CA 3.3Å; G54-I119 PolarHBondContact N-O 3.3Å; G54-I119 VanDerWaalsContact N-O 3.12Å; G54-I119 PolarHBondContact O-N 2.71Å
55	V	97.4	Very high	95.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.5	166.9	171.2	0	0	0	0	109.6	F43 F46 L48 H71 I72 V99 A117	F43-V55 HydrophobicContact CE2-CB 4.38Å; F43-V55 HydrophobicContact CE2-CG1 3.73Å; F43-V55 HydrophobicContact CE2-CG2 3.77Å; F43-V55 HydrophobicContact CZ-CB 4.27Å; F43-V55 HydrophobicContact CZ-CG1 3.48Å; F43-V55 VanDerWaalsContact CZ-CG1 3.48Å; F43-V55 HydrophobicContact CZ-CG2 3.7Å; F46-V55 HydrophobicContact CE2-CG2 4.42Å; F46-V55 HydrophobicContact CZ-CG2 4.45Å; L48-V55 HydrophobicContact CD2-CB 4.42Å; L48-V55 HydrophobicContact CD2-CG2 3.55Å; V55-H71 CarbonylContact O-C 3.57Å; V55-H71 WeakPolarHBondContact O-CA 2.98Å; V55-H71 WeakPolarHBondContact O-CB 2.99Å; V55-I72 PolarHBondContact N-O 2.97Å; V55-I72 PolarHBondContact O-N 2.89Å; V55-V99 HydrophobicContact CB-CG2 3.88Å; V55-V99 HydrophobicContact CG1-CB 3.97Å; V55-V99 HydrophobicContact CG1-CG1 4.03Å; V55-V99 HydrophobicContact CG1-CG2 3.79Å; V55-V99 HydrophobicContact CG2-CG2 4.21Å; V55-A117 CarbonylContact C-O 3.56Å; V55-A117 VanDerWaalsContact CA-O 3.28Å; V55-A117 WeakPolarHBondContact CA-O 3.45Å
56	G	97.6	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	162.1	176.2	0	0	0	0	0	113.6	A70 C116 A117	G56-A70 CarbonylContact C-O 3.56Å; G56-A70 WeakPolarHBondContact CA-O 3.33Å; G56-C116 CarbonylContact O-C 3.56Å; G56-C116 VanDerWaalsContact O-CA 3.23Å; G56-C116 WeakPolarHBondContact O-CA 3.4Å; G56-A117 PolarHBondContact N-O 3.44Å; G56-A117 PolarHBondContact O-N 2.88Å
57	W	98.4	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.2	166.9	-74.1	92	0	0	0	109.8	E25 L39 C41 L69 A70 L101 Y115 C116	E25-W57 HydrophobicContact CG-CH2 4.29Å; E25-W57 HydrophobicContact CG-CZ3 4.03Å; L39-W57 HydrophobicContact CB-CH2 3.55Å; L39-W57 HydrophobicContact CB-CZ2 3.95Å; L39-W57 HydrophobicContact CB-CZ3 3.94Å; L39-W57 HydrophobicContact CD1-CE3 4.13Å; L39-W57 HydrophobicContact CD1-CH2 4.35Å; L39-W57 HydrophobicContact CD1-CZ3 3.86Å; C41-W57 HydrophobicContact CB-CH2 3.64Å; C41-W57 HydrophobicContact CB-CZ2 3.4Å; C41-W57 VanDerWaalsContact CB-CZ2 3.4Å; W57-L69 HydrophobicContact CB-CB 4.35Å; W57-L69 PolarHBondContact O-N 3.48Å; W57-A70 PolarHBondContact N-O 3.17Å; W57-L101 HydrophobicContact CB-CD2 3.82Å; W57-L101 HydrophobicContact CD2-CB 3.88Å; W57-L101 HydrophobicContact CD2-CD2 4.19Å; W57-L101 HydrophobicContact CG-CB 3.81Å; W57-L101 HydrophobicContact CG-CD1 4.44Å; W57-L101 HydrophobicContact CG-CD2 3.88Å; W57-L101 HydrophobicContact CG-CG 4.26Å; W57-L101 HydrophobicContact CZ2-CB 4.37Å; W57-Y115 WeakPolarHBondContact CA-O 3.02Å; W57-C116 HydrophobicContact CD2-CB 4.17Å; W57-C116 HydrophobicContact CE3-CB 4.12Å; W57-C116 HydrophobicContact CH2-CB 4.3Å; W57-C116 HydrophobicContact CZ2-CB 4.36Å; W57-C116 HydrophobicContact CZ3-CB 4.17Å
58	I	97.6	Very high	96	Very high	30 Å²	30	50.9 Å²	50.9	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.8	177	-57.3	98.4	0	0	0	106.5	L66 E67 Y115 A117	I58-L66 HydrophobicContact CG2-CB 3.75Å; I58-L66 HydrophobicContact CG2-CD2 3.71Å; I58-L66 HydrophobicContact CG2-CG 4.24Å; I58-E67 CarbonylContact C-O 3.6Å; I58-E67 WeakPolarHBondContact CA-O 3.19Å; I58-E67 WeakPolarHBondContact CG2-O 3.23Å; I58-Y115 PolarHBondContact N-O 3.12Å; I58-Y115 PolarHBondContact O-N 2.77Å; I58-Y115 VanDerWaalsContact O-O 3.06Å; I58-A117 HydrophobicContact CD1-CB 3.88Å
59	H	97.1	Very high	96.1	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.023	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	157.7	169.2	73.8	169.4	0	0	0	111.8	E67 L69 A112 T113 Y114	H59-E67 PolarHBondContact CD2-O 2.94Å; H59-E67 IonicContact CD2-OE2 2.79Å; H59-E67 IonicContact CE1-OE2 3.8Å; H59-E67 PolarHBondContact N-O 2Å; H59-E67 IonicContact NE2-OE2 3.64Å; H59-E67 PolarHBondContact NE2-OE2 3.17Å; H59-E67 PolarHBondContact O-N 2.84Å; H59-L69 HydrophobicContact CB-CD1 3.95Å; H59-L69 HydrophobicContact CB-CG 4.4Å; H59-A112 HydrophobicContact CB-CB 3.81Å; H59-T113 CarbonylContact C-O 3.59Å; H59-T113 VanDerWaalsContact CA-O 3.27Å; H59-T113 WeakPolarHBondContact CA-O 3.12Å; H59-Y114 HydrophobicContact CB-CD1 3.67Å; H59-Y114 HydrophobicContact CB-CE1 3.66Å; H59-Y114 HydrophobicContact CB-CG 4.23Å
60	Q	97	Very high	96.3	Very high	71 Å²	71	47 Å²	47	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	96.3	175.1	-167.9	175.9	18.5	0	0	109.1	N64 L66 A112 T113 Y115	Q60-N64 WeakPolarHBondContact CG-O 3.29Å; Q60-N64 PolarHBondContact NE2-O 3.12Å; Q60-L66 HydrophobicContact CB-CD2 3.96Å; Q60-L66 HydrophobicContact CG-CD2 4.34Å; Q60-A112 VanDerWaalsContact C-CB 3.49Å; Q60-A112 WeakPolarHBondContact O-CA 3.42Å; Q60-A112 WeakPolarHBondContact O-CB 3.33Å; Q60-T113 PolarHBondContact N-O 3.3Å; Q60-T113 PolarHBondContact O-N 3.18Å; Q60-Y115 HydrophobicContact CB-CE2 3.99Å
61	P	95.3	Very high	96.4	Very high	21 Å²	21	45.3 Å²	45.3	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	146.9	170.1	-19.3	31.2	0	0	0	110.1	G63 N64 A112	P61-G63 PolarHBondContact O-N 2.84Å; P61-N64 HydrophobicContact CB-CB 4.11Å; P61-N64 HydrophobicContact CG-CB 4.39Å; P61-N64 PolarHBondContact O-N 2.83Å; P61-A112 HydrophobicContact CB-CB 4.47Å; P61-A112 HydrophobicContact CG-CB 4.28Å
62	S	94	Very high	96.5	Very high	119 Å²	119	41.1 Å²	41.1	83%	0.832	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.9	-179.9	-170.8	0	0	0	0	110.8	N64	S62-N64 VanDerWaalsContact C-N 3.27Å; S62-N64 PolarHBondContact O-N 3.16Å; S62-N64 PolarHBondContact O-ND2 2.92Å
63	G	92.3	Very high	96.6	Very high	83 Å²	83	42.3 Å²	42.3	86%	0.856	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	1.9	-178.7	0	0	0	0	0	116	P61	P61-G63 PolarHBondContact O-N 2.84Å
64	N	92.3	Very high	96.6	Very high	105 Å²	105	46.1 Å²	46.1	56%	0.561	26%	0.264	S	S	*	.	S	Bend	trans	-113.8	169	178.8	-68.6	-73.6	0	0	0	112.2	Q60 P61 S62	Q60-N64 WeakPolarHBondContact CG-O 3.29Å; Q60-N64 PolarHBondContact NE2-O 3.12Å; P61-N64 HydrophobicContact CB-CB 4.11Å; P61-N64 HydrophobicContact CG-CB 4.39Å; P61-N64 PolarHBondContact O-N 2.83Å; S62-N64 VanDerWaalsContact C-N 3.27Å; S62-N64 PolarHBondContact O-N 3.16Å; S62-N64 PolarHBondContact O-ND2 2.92Å
65	G	94.1	Very high	96.7	Very high	53 Å²	53	49.2 Å²	49.2	55%	0.546	28%	0.28	S	S	.	.			trans	-71.5	176.2	173.6	0	0	0	0	0	113
66	L	96.5	Very high	96.7	Very high	119 Å²	119	53.8 Å²	53.8	62%	0.623	31%	0.305	S	S	*	.			trans	-69.9	131.5	170.6	-68.8	169.4	0	0	0	110	I58 Q60 Y115	I58-L66 HydrophobicContact CG2-CB 3.75Å; I58-L66 HydrophobicContact CG2-CD2 3.71Å; I58-L66 HydrophobicContact CG2-CG 4.24Å; Q60-L66 HydrophobicContact CB-CD2 3.96Å; Q60-L66 HydrophobicContact CG-CD2 4.34Å; L66-Y115 HydrophobicContact CD2-CD2 4.14Å; L66-Y115 HydrophobicContact CD2-CE2 4.21Å
67	E	96.3	Very high	96.8	Very high	70 Å²	70	57.5 Å²	57.5	33%	0.327	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.5	171.8	167.6	178.2	-154.3	0	0	109.9	I58 H59 N81	I58-E67 CarbonylContact C-O 3.6Å; I58-E67 WeakPolarHBondContact CA-O 3.19Å; I58-E67 WeakPolarHBondContact CG2-O 3.23Å; H59-E67 PolarHBondContact CD2-O 2.94Å; H59-E67 IonicContact CD2-OE2 2.79Å; H59-E67 IonicContact CE1-OE2 3.8Å; H59-E67 PolarHBondContact N-O 2Å; H59-E67 IonicContact NE2-OE2 3.64Å; H59-E67 PolarHBondContact NE2-OE2 3.17Å; H59-E67 PolarHBondContact O-N 2.84Å; E67-N81 PolarHBondContact OE1-ND2 3.25Å
68	W	97.6	Very high	96.8	Very high	83 Å²	83	61.7 Å²	61.7	31%	0.314	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.7	175.8	170.4	77.6	0	0	0	110.4	A70 H71 Y79 Y80 N81	W68-A70 VanDerWaalsContact CZ2-CA 3.49Å; W68-A70 VanDerWaalsContact NE1-C 3.26Å; W68-A70 PolarHBondContact NE1-O 2.95Å; W68-A70 VanDerWaalsContact NE1-O 3.16Å; W68-H71 AromaticContact CE2-ND1 3.48Å; W68-H71 HydrophobicContact CZ2-CB 4.43Å; W68-H71 AromaticContact CZ2-CE1 3.84Å; W68-H71 AromaticContact CZ2-CG 3.99Å; W68-H71 AromaticContact CZ2-ND1 3.13Å; W68-H71 WeakPolarHBondContact CZ2-ND1 3.47Å; W68-H71 AromaticContact NE1-ND1 3.48Å; W68-H71 PolarHBondContact NE1-ND1 3.34Å; W68-Y79 WeakPolarHBondContact CZ2-O 3.41Å; W68-Y80 VanDerWaalsContact CH2-CA 3.49Å; W68-Y80 VanDerWaalsContact CH2-N 3.35Å; W68-Y80 WeakPolarHBondContact CH2-O 3.42Å; W68-Y80 WeakPolarHBondContact CZ3-O 3.45Å; W68-N81 HydrophobicContact CE3-CB 3.95Å; W68-N81 VanDerWaalsContact CZ3-CA 3.42Å; W68-N81 HydrophobicContact CZ3-CB 4.05Å; W68-N81 VanDerWaalsContact O-CB 3.29Å; W68-N81 WeakPolarHBondContact O-CB 3.47Å; W68-N81 PolarHBondContact O-ND2 2.99Å
69	L	98.1	Very high	96.8	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-58	-178.4	-62.8	-178.3	0	0	0	112.1	W57 H59 Y80 N81 L84 L88 L101 I103 Y114	W57-L69 HydrophobicContact CB-CB 4.35Å; W57-L69 PolarHBondContact O-N 3.48Å; H59-L69 HydrophobicContact CB-CD1 3.95Å; H59-L69 HydrophobicContact CB-CG 4.4Å; L69-Y80 CarbonylContact O-C 3.57Å; L69-N81 WeakPolarHBondContact O-CB 3.34Å; L69-N81 PolarHBondContact O-N 3.34Å; L69-L84 HydrophobicContact CD2-CD1 3.41Å; L69-L84 VanDerWaalsContact CD2-CD1 3.41Å; L69-L88 HydrophobicContact CB-CD1 4.03Å; L69-L88 WeakPolarHBondContact O-CD1 3.2Å; L69-L101 HydrophobicContact CB-CD2 4.48Å; L69-L101 HydrophobicContact CD1-CD2 3.59Å; L69-I103 HydrophobicContact CD1-CD1 4.2Å; L69-Y114 HydrophobicContact CD1-CD1 3.92Å; L69-Y114 HydrophobicContact CD1-CE1 3.66Å
70	A	98.6	Very high	96.9	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.2	-176.9	0	0	0	0	0	110.3	G56 W57 W68 Y79 Y80 I90 L101	G56-A70 CarbonylContact C-O 3.56Å; G56-A70 WeakPolarHBondContact CA-O 3.33Å; W57-A70 PolarHBondContact N-O 3.17Å; W68-A70 VanDerWaalsContact CZ2-CA 3.49Å; W68-A70 VanDerWaalsContact NE1-C 3.26Å; W68-A70 PolarHBondContact NE1-O 2.95Å; W68-A70 VanDerWaalsContact NE1-O 3.16Å; A70-Y79 CarbonylContact C-O 3.5Å; A70-Y79 WeakPolarHBondContact CA-O 3.38Å; A70-Y79 WeakPolarHBondContact CB-O 3.47Å; A70-Y80 HydrophobicContact CB-CD1 3.72Å; A70-Y80 HydrophobicContact CB-CE1 4.14Å; A70-I90 HydrophobicContact CB-CB 4.04Å; A70-I90 HydrophobicContact CB-CD1 4.04Å; A70-I90 HydrophobicContact CB-CG2 4.15Å; A70-L101 HydrophobicContact CB-CD1 4.25Å
71	H	98.4	Very high	96.9	Very high	30 Å²	30	65.8 Å²	65.8	14%	0.139	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.6	166	68.1	-104.6	0	0	0	111.6	V55 W68 W73 K78 Y79 I119	V55-H71 CarbonylContact O-C 3.57Å; V55-H71 WeakPolarHBondContact O-CA 2.98Å; V55-H71 WeakPolarHBondContact O-CB 2.99Å; W68-H71 AromaticContact CE2-ND1 3.48Å; W68-H71 HydrophobicContact CZ2-CB 4.43Å; W68-H71 AromaticContact CZ2-CE1 3.84Å; W68-H71 AromaticContact CZ2-CG 3.99Å; W68-H71 AromaticContact CZ2-ND1 3.13Å; W68-H71 WeakPolarHBondContact CZ2-ND1 3.47Å; W68-H71 AromaticContact NE1-ND1 3.48Å; W68-H71 PolarHBondContact NE1-ND1 3.34Å; H71-W73 AromaticContact CD2-CD1 3.62Å; H71-W73 AromaticContact CD2-CE2 3.94Å; H71-W73 AromaticContact CD2-NE1 3.17Å; H71-W73 PolarHBondContact CD2-NE1 2.9Å; H71-W73 AromaticContact NE2-CD1 3.76Å; H71-W73 AromaticContact NE2-CE2 3.88Å; H71-W73 AromaticContact NE2-NE1 2.99Å; H71-W73 PolarHBondContact NE2-NE1 2.93Å; H71-K78 WeakPolarHBondContact O-CA 3.07Å; H71-Y79 AromaticContact CD2-CD2 3.74Å; H71-Y79 VanDerWaalsContact CE1-CB 3.47Å; H71-Y79 WeakPolarHBondContact CE1-CB 3.13Å; H71-Y79 AromaticContact CE1-CD2 3.78Å; H71-Y79 AromaticContact CE1-CG 3.77Å; H71-Y79 PolarHBondContact N-O 2.89Å; H71-Y79 AromaticContact NE2-CD2 3.07Å; H71-Y79 WeakPolarHBondContact NE2-CD2 3.42Å; H71-Y79 AromaticContact NE2-CE2 3.86Å; H71-Y79 AromaticContact NE2-CG 3.54Å; H71-Y79 PolarHBondContact O-N 3.35Å; H71-I119 HydrophobicContact CB-CD1 3.83Å
72	I	98.7	Very high	97	Very high	4 Å²	4	71 Å²	71	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.4	179.2	-172.4	167.3	0	0	0	109.6	V55 N77 K78 I90 K92 V99	V55-I72 PolarHBondContact N-O 2.97Å; V55-I72 PolarHBondContact O-N 2.89Å; I72-N77 WeakPolarHBondContact CA-O 3.42Å; I72-K78 HydrophobicContact CB-CG 4.44Å; I72-K78 HydrophobicContact CD1-CD 4.39Å; I72-K78 HydrophobicContact CD1-CG 4.08Å; I72-K78 HydrophobicContact CG1-CG 4.03Å; I72-I90 HydrophobicContact CB-CD1 4.01Å; I72-I90 HydrophobicContact CB-CG1 4.26Å; I72-I90 HydrophobicContact CB-CG2 4.26Å; I72-I90 HydrophobicContact CG2-CD1 3.79Å; I72-I90 HydrophobicContact CG2-CG1 4.06Å; I72-K92 HydrophobicContact CD1-CB 4.23Å; I72-K92 HydrophobicContact CD1-CD 4.09Å; I72-K92 HydrophobicContact CD1-CG 3.88Å; I72-K92 HydrophobicContact CG1-CD 4.35Å; I72-K92 HydrophobicContact CG2-CB 4.47Å; I72-V99 HydrophobicContact CG2-CG1 3.82Å; I72-V99 HydrophobicContact CG2-CG2 4.41Å
73	W	98.2	Very high	97	Very high	69 Å²	69	69.3 Å²	69.3	26%	0.261	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	168.2	178.1	-69.8	95.2	0	0	0	112.4	G52 M53 H71 N75 D76 N77 Y79 K92 I119	G52-W73 VanDerWaalsContact O-CZ3 3.26Å; G52-W73 WeakPolarHBondContact O-CZ3 3.43Å; M53-W73 CarbonylContact O-C 3.48Å; M53-W73 WeakPolarHBondContact O-CA 3.28Å; H71-W73 AromaticContact CD2-CD1 3.62Å; H71-W73 AromaticContact CD2-CE2 3.94Å; H71-W73 AromaticContact CD2-NE1 3.17Å; H71-W73 PolarHBondContact CD2-NE1 2.9Å; H71-W73 AromaticContact NE2-CD1 3.76Å; H71-W73 AromaticContact NE2-CE2 3.88Å; H71-W73 AromaticContact NE2-NE1 2.99Å; H71-W73 PolarHBondContact NE2-NE1 2.93Å; W73-N75 WeakPolarHBondContact CB-OD1 3.17Å; W73-N75 PolarHBondContact O-N 2.95Å; W73-D76 PolarHBondContact O-N 3.4Å; W73-N77 HydrophobicContact CB-CB 4.33Å; W73-N77 PolarHBondContact N-O 3.14Å; W73-Y79 AromaticContact CD1-CE2 3.78Å; W73-Y79 AromaticContact NE1-CE2 3.82Å; W73-K92 PolarHBondContact O-NZ 2.81Å; W73-I119 HydrophobicContact CH2-CG2 4.18Å; W73-I119 HydrophobicContact CZ2-CG2 4.48Å
74	W	97.5	Very high	97.2	Very high	105 Å²	105	66.6 Å²	66.6	40%	0.398	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.9	176.5	71.7	-82.3	0	0	0	113.2	T50 G52 M53 K92	T50-W74 WeakPolarHBondContact O-CB 3.37Å; G52-W74 VanDerWaalsContact N-NE1 3.13Å; M53-W74 HydrophobicContact CB-CB 4.26Å; M53-W74 PolarHBondContact O-N 2.86Å; W74-K92 VanDerWaalsContact CA-NZ 3.26Å; W74-K92 PolarHBondContact O-NZ 3.31Å
75	N	97.7	Very high	97.4	Very high	67 Å²	67	67.9 Å²	67.9	36%	0.358	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	18.4	178.6	69.8	-15.5	0	0	0	114	W73 N77	W73-N75 WeakPolarHBondContact CB-OD1 3.17Å; W73-N75 PolarHBondContact O-N 2.95Å; N75-N77 PolarHBondContact ND2-ND2 2.63Å; N75-N77 VanDerWaalsContact ND2-ND2 3.13Å; N75-N77 PolarHBondContact O-N 3.49Å; N75-N77 WeakPolarHBondContact OD1-CB 3.39Å; N75-N77 PolarHBondContact OD1-N 3.29Å
76	D	98	Very high	97.5	Very high	96 Å²	96	70.9 Å²	70.9	51%	0.513	36%	0.359	S	S	.	.			trans	66.8	9	179.9	-63.5	-60.8	0	0	0	115.8	W73 K78 K92	W73-D76 PolarHBondContact O-N 3.4Å; D76-K78 WeakPolarHBondContact O-CG 3.11Å; D76-K78 PolarHBondContact O-N 2.9Å; D76-K92 WeakPolarHBondContact OD1-CE 3.06Å; D76-K92 IonicContact OD1-NZ 2.76Å
77	N	98.4	Very high	97.6	Very high	77 Å²	77	67.7 Å²	67.7	41%	0.412	34%	0.339	S	S	.	.			trans	-63.9	127.3	169.1	-75.5	-10.2	0	0	0	110	I72 W73 N75 Y79	I72-N77 WeakPolarHBondContact CA-O 3.42Å; W73-N77 HydrophobicContact CB-CB 4.33Å; W73-N77 PolarHBondContact N-O 3.14Å; N75-N77 PolarHBondContact ND2-ND2 2.63Å; N75-N77 VanDerWaalsContact ND2-ND2 3.13Å; N75-N77 PolarHBondContact O-N 3.49Å; N75-N77 WeakPolarHBondContact OD1-CB 3.39Å; N75-N77 PolarHBondContact OD1-N 3.29Å; N77-Y79 HydrophobicContact CB-CE2 4.09Å
78	K	98.6	Very high	97.6	Very high	88 Å²	88	64.7 Å²	64.7	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.9	-177.2	-55.7	177.1	-168.8	-170.3	0	110.7	H71 I72 D76 Y80 I90	H71-K78 WeakPolarHBondContact O-CA 3.07Å; I72-K78 HydrophobicContact CB-CG 4.44Å; I72-K78 HydrophobicContact CD1-CD 4.39Å; I72-K78 HydrophobicContact CD1-CG 4.08Å; I72-K78 HydrophobicContact CG1-CG 4.03Å; D76-K78 WeakPolarHBondContact O-CG 3.11Å; D76-K78 PolarHBondContact O-N 2.9Å; K78-Y80 HydrophobicContact CB-CE2 3.83Å; K78-Y80 WeakPolarHBondContact CD-OH 3.44Å; K78-I90 HydrophobicContact CB-CG2 4.04Å; K78-I90 HydrophobicContact CD-CG2 3.91Å; K78-I90 WeakPolarHBondContact CD-O 3.42Å; K78-I90 WeakPolarHBondContact CE-O 3.43Å; K78-I90 HydrophobicContact CG-CG2 3.95Å; K78-I90 PolarHBondContact NZ-O 2.93Å
79	Y	98.4	Very high	97.7	Very high	118 Å²	118	64.1 Å²	64.1	46%	0.463	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.1	173.7	-61.4	-97.7	0	0	0	108.8	W68 A70 H71 W73 N77	W68-Y79 WeakPolarHBondContact CZ2-O 3.41Å; A70-Y79 CarbonylContact C-O 3.5Å; A70-Y79 WeakPolarHBondContact CA-O 3.38Å; A70-Y79 WeakPolarHBondContact CB-O 3.47Å; H71-Y79 AromaticContact CD2-CD2 3.74Å; H71-Y79 VanDerWaalsContact CE1-CB 3.47Å; H71-Y79 WeakPolarHBondContact CE1-CB 3.13Å; H71-Y79 AromaticContact CE1-CD2 3.78Å; H71-Y79 AromaticContact CE1-CG 3.77Å; H71-Y79 PolarHBondContact N-O 2.89Å; H71-Y79 AromaticContact NE2-CD2 3.07Å; H71-Y79 WeakPolarHBondContact NE2-CD2 3.42Å; H71-Y79 AromaticContact NE2-CE2 3.86Å; H71-Y79 AromaticContact NE2-CG 3.54Å; H71-Y79 PolarHBondContact O-N 3.35Å; W73-Y79 AromaticContact CD1-CE2 3.78Å; W73-Y79 AromaticContact NE1-CE2 3.82Å; N77-Y79 HydrophobicContact CB-CE2 4.09Å
80	Y	98.6	Very high	97.7	Very high	51 Å²	51	64.1 Å²	64.1	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149	-175.7	-58.6	-87.6	0	0	0	110.3	W68 L69 A70 K78 T82 K85 L88 I90	W68-Y80 VanDerWaalsContact CH2-CA 3.49Å; W68-Y80 VanDerWaalsContact CH2-N 3.35Å; W68-Y80 WeakPolarHBondContact CH2-O 3.42Å; W68-Y80 WeakPolarHBondContact CZ3-O 3.45Å; L69-Y80 CarbonylContact O-C 3.57Å; A70-Y80 HydrophobicContact CB-CD1 3.72Å; A70-Y80 HydrophobicContact CB-CE1 4.14Å; K78-Y80 HydrophobicContact CB-CE2 3.83Å; K78-Y80 WeakPolarHBondContact CD-OH 3.44Å; Y80-T82 PolarHBondContact O-N 2.84Å; Y80-K85 HydrophobicContact CD2-CG 4.46Å; Y80-K85 HydrophobicContact CG-CG 4.29Å; Y80-L88 HydrophobicContact CD1-CB 3.75Å; Y80-L88 HydrophobicContact CE1-CB 4.22Å; Y80-I90 HydrophobicContact CE1-CB 4.31Å; Y80-I90 HydrophobicContact CE1-CG2 3.8Å
81	N	97.7	Very high	97.7	Very high	23 Å²	23	66.2 Å²	66.2	12%	0.123	35%	0.346	C	S	.	.			trans	-59.7	123.5	168.2	179.5	-41.1	0	0	0	108.8	E67 W68 L69 A83 L84 K85	E67-N81 PolarHBondContact OE1-ND2 3.25Å; W68-N81 HydrophobicContact CE3-CB 3.95Å; W68-N81 VanDerWaalsContact CZ3-CA 3.42Å; W68-N81 HydrophobicContact CZ3-CB 4.05Å; W68-N81 VanDerWaalsContact O-CB 3.29Å; W68-N81 WeakPolarHBondContact O-CB 3.47Å; W68-N81 PolarHBondContact O-ND2 2.99Å; L69-N81 WeakPolarHBondContact O-CB 3.34Å; L69-N81 PolarHBondContact O-N 3.34Å; N81-A83 PolarHBondContact O-N 2.8Å; N81-A83 WeakPolarHBondContact OD1-CB 3.39Å; N81-A83 PolarHBondContact OD1-N 2.99Å; N81-L84 HydrophobicContact CB-CB 4.44Å; N81-L84 PolarHBondContact O-N 2.83Å; N81-L84 VanDerWaalsContact O-N 3.09Å; N81-K85 WeakPolarHBondContact O-CA 3.48Å; N81-K85 WeakPolarHBondContact O-CB 3.29Å; N81-K85 PolarHBondContact O-N 2.82Å
82	T	97.2	Very high	97.7	Very high	132 Å²	132	66.4 Å²	66.4	81%	0.81	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.4	-174.3	-50.4	0	0	0	0	112.5	Y80 L84	Y80-T82 PolarHBondContact O-N 2.84Å; T82-L84 VanDerWaalsContact C-N 3.34Å
83	A	94.6	Very high	97.6	Very high	83 Å²	83	68.3 Å²	68.3	69%	0.686	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.9	-179.5	0	0	0	0	0	112.8	N81	N81-A83 PolarHBondContact O-N 2.8Å; N81-A83 WeakPolarHBondContact OD1-CB 3.39Å; N81-A83 PolarHBondContact OD1-N 2.99Å
84	L	95.1	Very high	97.5	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.131	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.7	-173.4	-61.1	172.5	0	0	0	113.2	L69 N81 T82 S86 R87 L88	L69-L84 HydrophobicContact CD2-CD1 3.41Å; L69-L84 VanDerWaalsContact CD2-CD1 3.41Å; N81-L84 HydrophobicContact CB-CB 4.44Å; N81-L84 PolarHBondContact O-N 2.83Å; N81-L84 VanDerWaalsContact O-N 3.09Å; T82-L84 VanDerWaalsContact C-N 3.34Å; L84-S86 PolarHBondContact O-N 2.76Å; L84-R87 PolarHBondContact O-N 3Å; L84-L88 HydrophobicContact CB-CD1 3.67Å; L84-L88 HydrophobicContact CB-CG 3.93Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.08Å
85	K	96.3	Very high	97.4	Very high	133 Å²	133	68.5 Å²	68.5	58%	0.578	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-35.1	-169.6	-179.2	174.4	179.9	-177.8	0	114.5	Y80 N81 R87	Y80-K85 HydrophobicContact CD2-CG 4.46Å; Y80-K85 HydrophobicContact CG-CG 4.29Å; N81-K85 WeakPolarHBondContact O-CA 3.48Å; N81-K85 WeakPolarHBondContact O-CB 3.29Å; N81-K85 PolarHBondContact O-N 2.82Å; K85-R87 PolarHBondContact O-N 3.45Å
86	S	97.1	Very high	97.4	Very high	115 Å²	115	70 Å²	70	80%	0.804	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.9	-178.6	56.3	0	0	0	0	113.9	L84	L84-S86 PolarHBondContact O-N 2.76Å
87	R	97.7	Very high	97.2	Very high	52 Å²	52	66.5 Å²	66.5	20%	0.196	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-17	-177.1	-57.7	-170.5	-59.2	136.5	4	113.4	L84 K85 I103 A104 S105 D110	L84-R87 PolarHBondContact O-N 3Å; K85-R87 PolarHBondContact O-N 3.45Å; R87-I103 HydrophobicContact CB-CG2 4.43Å; R87-I103 WeakPolarHBondContact O-CA 3.45Å; R87-A104 WeakPolarHBondContact CD-O 3.27Å; R87-A104 PolarHBondContact O-N 3Å; R87-S105 PolarHBondContact NH1-O 2.9Å; R87-D110 IonicContact CZ-OD1 3.55Å; R87-D110 IonicContact CZ-OD2 2.72Å; R87-D110 IonicContact NH1-OD1 3.55Å; R87-D110 IonicContact NH1-OD2 3.43Å; R87-D110 PolarHBondContact NH1-OD2 2.72Å; R87-D110 IonicContact NH2-OD1 3.61Å; R87-D110 PolarHBondContact NH2-OD1 3.17Å; R87-D110 IonicContact NH2-OD2 3.73Å; R87-D110 PolarHBondContact NH2-OD2 2.87Å
88	L	98.3	Very high	97.2	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.042	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.2	-174.8	-61.7	-179.2	0	0	0	112.3	L69 Y80 L84 L101 K102 I103	L69-L88 HydrophobicContact CB-CD1 4.03Å; L69-L88 WeakPolarHBondContact O-CD1 3.2Å; Y80-L88 HydrophobicContact CD1-CB 3.75Å; Y80-L88 HydrophobicContact CE1-CB 4.22Å; L84-L88 HydrophobicContact CB-CD1 3.67Å; L84-L88 HydrophobicContact CB-CG 3.93Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.08Å; L88-L101 HydrophobicContact CD2-CD1 4.41Å; L88-K102 CarbonylContact C-O 3.44Å; L88-K102 WeakPolarHBondContact CA-O 3.38Å; L88-I103 HydrophobicContact CD2-CB 4.33Å; L88-I103 HydrophobicContact CD2-CD1 3.99Å; L88-I103 HydrophobicContact CD2-CG1 3.71Å; L88-I103 HydrophobicContact CD2-CG2 4.14Å
89	T	98.5	Very high	97.2	Very high	71 Å²	71	61 Å²	61	44%	0.436	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.5	167.2	-63.8	0	0	0	0	109.2	L101 K102	T89-L101 CarbonylContact O-C 3.59Å; T89-L101 WeakPolarHBondContact O-CA 3.38Å; T89-K102 PolarHBondContact N-O 3.38Å; T89-K102 PolarHBondContact O-N 3.11Å
90	I	98.7	Very high	97.2	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.9	173.6	-163.6	173.1	0	0	0	110.4	A70 I72 K78 Y80 V99 F100	A70-I90 HydrophobicContact CB-CB 4.04Å; A70-I90 HydrophobicContact CB-CD1 4.04Å; A70-I90 HydrophobicContact CB-CG2 4.15Å; I72-I90 HydrophobicContact CB-CD1 4.01Å; I72-I90 HydrophobicContact CB-CG1 4.26Å; I72-I90 HydrophobicContact CB-CG2 4.26Å; I72-I90 HydrophobicContact CG2-CD1 3.79Å; I72-I90 HydrophobicContact CG2-CG1 4.06Å; K78-I90 HydrophobicContact CB-CG2 4.04Å; K78-I90 HydrophobicContact CD-CG2 3.91Å; K78-I90 WeakPolarHBondContact CD-O 3.42Å; K78-I90 WeakPolarHBondContact CE-O 3.43Å; K78-I90 HydrophobicContact CG-CG2 3.95Å; K78-I90 PolarHBondContact NZ-O 2.93Å; Y80-I90 HydrophobicContact CE1-CB 4.31Å; Y80-I90 HydrophobicContact CE1-CG2 3.8Å; I90-V99 HydrophobicContact CD1-CG1 4.03Å; I90-V99 HydrophobicContact CG1-CG1 4Å; I90-F100 WeakPolarHBondContact CA-O 3.41Å; I90-F100 WeakPolarHBondContact CG1-O 3.5Å
91	S	98.4	Very high	97.2	Very high	44 Å²	44	55.6 Å²	55.6	31%	0.308	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.5	175.5	55.7	0	0	0	0	110.5	V99 F100	S91-V99 WeakPolarHBondContact O-CA 3.2Å; S91-F100 PolarHBondContact N-O 2.88Å; S91-F100 VanDerWaalsContact N-O 3.08Å; S91-F100 PolarHBondContact O-N 2.94Å
92	K	97.8	Very high	97.3	Very high	33 Å²	33	59.4 Å²	59.4	14%	0.143	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.6	174.8	68.9	179.8	-179.2	-177.2	0	111.4	L48 I72 W73 W74 D76 T94 Q98 V99	L48-K92 HydrophobicContact CB-CD 4.46Å; L48-K92 HydrophobicContact CD1-CB 4.21Å; I72-K92 HydrophobicContact CD1-CB 4.23Å; I72-K92 HydrophobicContact CD1-CD 4.09Å; I72-K92 HydrophobicContact CD1-CG 3.88Å; I72-K92 HydrophobicContact CG1-CD 4.35Å; I72-K92 HydrophobicContact CG2-CB 4.47Å; W73-K92 PolarHBondContact O-NZ 2.81Å; W74-K92 VanDerWaalsContact CA-NZ 3.26Å; W74-K92 PolarHBondContact O-NZ 3.31Å; D76-K92 WeakPolarHBondContact OD1-CE 3.06Å; D76-K92 IonicContact OD1-NZ 2.76Å; K92-T94 HydrophobicContact CD-CG2 4.11Å; K92-T94 HydrophobicContact CG-CG2 4.42Å; K92-Q98 CarbonylContact C-O 3.55Å; K92-Q98 VanDerWaalsContact CA-O 3.25Å; K92-Q98 WeakPolarHBondContact CA-O 3.41Å; K92-Q98 WeakPolarHBondContact CB-O 3.5Å; K92-V99 HydrophobicContact CB-CG2 4.08Å
93	D	97.5	Very high	97.3	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.241	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	104.9	166.2	176.8	-1.3	0	0	0	107.6	S95 N96 N97 Q98 F100	D93-S95 VanDerWaalsContact C-N 3.25Å; D93-S95 PolarHBondContact O-N 2.93Å; D93-S95 WeakPolarHBondContact OD1-CA 3.28Å; D93-S95 VanDerWaalsContact OD1-CB 3.3Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 2.99Å; D93-N96 PolarHBondContact OD1-N 2.9Å; D93-N96 WeakPolarHBondContact OD2-CB 3.44Å; D93-N96 PolarHBondContact OD2-ND2 3.32Å; D93-N97 WeakPolarHBondContact O-CA 3.43Å; D93-N97 PolarHBondContact O-N 3.39Å; D93-Q98 PolarHBondContact N-O 3.34Å; D93-Q98 PolarHBondContact O-N 2.91Å; D93-F100 HydrophobicContact CB-CE2 3.75Å; D93-F100 HydrophobicContact CB-CZ 4.32Å
94	T	96.1	Very high	97.5	Very high	68 Å²	68	51 Å²	51	42%	0.417	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.5	-179.7	49	0	0	0	0	112.5	L48 K92	L48-T94 HydrophobicContact CB-CG2 4.18Å; K92-T94 HydrophobicContact CD-CG2 4.11Å; K92-T94 HydrophobicContact CG-CG2 4.42Å
95	S	95.4	Very high	97.6	Very high	109 Å²	109	53.3 Å²	53.3	76%	0.762	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-39.3	-179.2	-51.6	0	0	0	0	111.2	D93	D93-S95 VanDerWaalsContact C-N 3.25Å; D93-S95 PolarHBondContact O-N 2.93Å; D93-S95 WeakPolarHBondContact OD1-CA 3.28Å; D93-S95 VanDerWaalsContact OD1-CB 3.3Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 2.99Å
96	N	96.1	Very high	97.6	Very high	100 Å²	100	47.6 Å²	47.6	54%	0.535	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1.8	177.7	-68.9	-65.4	0	0	0	113.6	D93 Q98	D93-N96 PolarHBondContact OD1-N 2.9Å; D93-N96 WeakPolarHBondContact OD2-CB 3.44Å; D93-N96 PolarHBondContact OD2-ND2 3.32Å; N96-Q98 VanDerWaalsContact C-N 3.32Å; N96-Q98 HydrophobicContact CB-CG 4.25Å; N96-Q98 PolarHBondContact O-N 3.13Å
97	N	95.6	Very high	97.5	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	46.6	-177.9	-151	42.8	0	0	0	112.9	F43 F46 L48 D93	F43-N97 WeakPolarHBondContact CB-ND2 3.26Å; F43-N97 PolarHBondContact N-O 2.77Å; F43-N97 VanDerWaalsContact N-O 3.11Å; F43-N97 PolarHBondContact O-ND2 3.34Å; F46-N97 PolarHBondContact O-ND2 3.04Å; F46-N97 PolarHBondContact O-OD1 3.09Å; L48-N97 WeakPolarHBondContact CG-OD1 3.32Å; L48-N97 PolarHBondContact N-OD1 3.31Å; L48-N97 VanDerWaalsContact N-OD1 3.08Å; D93-N97 WeakPolarHBondContact O-CA 3.43Å; D93-N97 PolarHBondContact O-N 3.39Å
98	Q	98	Very high	97.4	Very high	50 Å²	50	49.2 Å²	49.2	23%	0.234	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.4	-175.1	-75.7	175.3	7.9	0	0	112.1	T40 C41 S42 L48 K92 D93 N96 F100	T40-Q98 HydrophobicContact CG2-CB 4.27Å; T40-Q98 HydrophobicContact CG2-CG 4.04Å; C41-Q98 CarbonylContact O-C 3.53Å; C41-Q98 VanDerWaalsContact O-CA 3.25Å; C41-Q98 WeakPolarHBondContact O-CA 3.21Å; S42-Q98 WeakPolarHBondContact OG-CG 3.39Å; S42-Q98 PolarHBondContact OG-NE2 3.37Å; L48-Q98 WeakPolarHBondContact CD1-O 3.39Å; K92-Q98 CarbonylContact C-O 3.55Å; K92-Q98 VanDerWaalsContact CA-O 3.25Å; K92-Q98 WeakPolarHBondContact CA-O 3.41Å; K92-Q98 WeakPolarHBondContact CB-O 3.5Å; D93-Q98 PolarHBondContact N-O 3.34Å; D93-Q98 PolarHBondContact O-N 2.91Å; N96-Q98 VanDerWaalsContact C-N 3.32Å; N96-Q98 HydrophobicContact CB-CG 4.25Å; N96-Q98 PolarHBondContact O-N 3.13Å; Q98-F100 HydrophobicContact CB-CE1 4.35Å; Q98-F100 HydrophobicContact CB-CE2 3.96Å; Q98-F100 HydrophobicContact CB-CZ 3.72Å; Q98-F100 VanDerWaalsContact OE1-CZ 3.24Å
99	V	98.4	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.5	170.6	-178.9	0	0	0	0	108.5	C41 F43 L48 V55 I72 I90 S91 K92	C41-V99 PolarHBondContact N-O 3.43Å; C41-V99 PolarHBondContact O-N 2.76Å; F43-V99 HydrophobicContact CE2-CB 4.46Å; F43-V99 HydrophobicContact CE2-CG2 4.11Å; L48-V99 HydrophobicContact CD1-CG2 3.68Å; L48-V99 HydrophobicContact CD2-CG2 3.78Å; L48-V99 HydrophobicContact CG-CG2 4.42Å; V55-V99 HydrophobicContact CB-CG2 3.88Å; V55-V99 HydrophobicContact CG1-CB 3.97Å; V55-V99 HydrophobicContact CG1-CG1 4.03Å; V55-V99 HydrophobicContact CG1-CG2 3.79Å; V55-V99 HydrophobicContact CG2-CG2 4.21Å; I72-V99 HydrophobicContact CG2-CG1 3.82Å; I72-V99 HydrophobicContact CG2-CG2 4.41Å; I90-V99 HydrophobicContact CD1-CG1 4.03Å; I90-V99 HydrophobicContact CG1-CG1 4Å; S91-V99 WeakPolarHBondContact O-CA 3.2Å; K92-V99 HydrophobicContact CB-CG2 4.08Å
100	F	98.6	Very high	96.9	Very high	54 Å²	54	49.1 Å²	49.1	24%	0.237	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.8	-176.1	-52.1	-86.4	0	0	0	110.2	L39 T40 I90 S91 D93 Q98	L39-F100 VanDerWaalsContact O-CA 3.26Å; L39-F100 WeakPolarHBondContact O-CA 3.36Å; T40-F100 HydrophobicContact CG2-CD1 3.92Å; T40-F100 HydrophobicContact CG2-CE1 3.58Å; T40-F100 HydrophobicContact CG2-CZ 4.42Å; T40-F100 WeakPolarHBondContact OG1-CD1 3.32Å; T40-F100 WeakPolarHBondContact OG1-CE1 3.4Å; I90-F100 WeakPolarHBondContact CA-O 3.41Å; I90-F100 WeakPolarHBondContact CG1-O 3.5Å; S91-F100 PolarHBondContact N-O 2.88Å; S91-F100 VanDerWaalsContact N-O 3.08Å; S91-F100 PolarHBondContact O-N 2.94Å; D93-F100 HydrophobicContact CB-CE2 3.75Å; D93-F100 HydrophobicContact CB-CZ 4.32Å; Q98-F100 HydrophobicContact CB-CE1 4.35Å; Q98-F100 HydrophobicContact CB-CE2 3.96Å; Q98-F100 HydrophobicContact CB-CZ 3.72Å; Q98-F100 VanDerWaalsContact OE1-CZ 3.24Å
101	L	98.8	Very high	96.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.1	167.6	-176.6	71.3	0	0	0	109.1	S38 L39 W57 L69 A70 L88 T89 I103	S38-L101 WeakPolarHBondContact CA-O 3.27Å; L39-L101 HydrophobicContact CB-CB 4.4Å; L39-L101 HydrophobicContact CD1-CD2 4.33Å; L39-L101 PolarHBondContact N-O 2.9Å; L39-L101 PolarHBondContact O-N 2.72Å; W57-L101 HydrophobicContact CB-CD2 3.82Å; W57-L101 HydrophobicContact CD2-CB 3.88Å; W57-L101 HydrophobicContact CD2-CD2 4.19Å; W57-L101 HydrophobicContact CG-CB 3.81Å; W57-L101 HydrophobicContact CG-CD1 4.44Å; W57-L101 HydrophobicContact CG-CD2 3.88Å; W57-L101 HydrophobicContact CG-CG 4.26Å; W57-L101 HydrophobicContact CZ2-CB 4.37Å; L69-L101 HydrophobicContact CB-CD2 4.48Å; L69-L101 HydrophobicContact CD1-CD2 3.59Å; A70-L101 HydrophobicContact CB-CD1 4.25Å; L88-L101 HydrophobicContact CD2-CD1 4.41Å; T89-L101 CarbonylContact O-C 3.59Å; T89-L101 WeakPolarHBondContact O-CA 3.38Å; L101-I103 HydrophobicContact CD2-CD1 4.1Å; L101-I103 HydrophobicContact CD2-CG1 4.13Å; L101-I103 HydrophobicContact CG-CG1 4.26Å
102	K	98.5	Very high	96.8	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.3	164.5	-61.4	-176.2	176.7	178.9	0	110.5	T36 L37 L88 T89	T36-K102 HydrophobicContact CG2-CB 4.21Å; L37-K102 CarbonylContact O-C 3.52Å; L37-K102 WeakPolarHBondContact O-CA 3.38Å; L88-K102 CarbonylContact C-O 3.44Å; L88-K102 WeakPolarHBondContact CA-O 3.38Å; T89-K102 PolarHBondContact N-O 3.38Å; T89-K102 PolarHBondContact O-N 3.11Å
103	I	98.2	Very high	96.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	109.9	170.8	-44.9	-170	0	0	0	106.8	T36 L37 L69 R87 L88 L101 V106 Y114	T36-I103 CarbonylContact C-O 3.48Å; T36-I103 WeakPolarHBondContact CA-O 3.42Å; L37-I103 HydrophobicContact CB-CB 4.24Å; L37-I103 HydrophobicContact CD2-CD1 4.09Å; L37-I103 HydrophobicContact CD2-CG1 4.4Å; L37-I103 PolarHBondContact N-O 3.08Å; L37-I103 PolarHBondContact O-N 2.74Å; L69-I103 HydrophobicContact CD1-CD1 4.2Å; R87-I103 HydrophobicContact CB-CG2 4.43Å; R87-I103 WeakPolarHBondContact O-CA 3.45Å; L88-I103 HydrophobicContact CD2-CB 4.33Å; L88-I103 HydrophobicContact CD2-CD1 3.99Å; L88-I103 HydrophobicContact CD2-CG1 3.71Å; L88-I103 HydrophobicContact CD2-CG2 4.14Å; L101-I103 HydrophobicContact CD2-CD1 4.1Å; L101-I103 HydrophobicContact CD2-CG1 4.13Å; L101-I103 HydrophobicContact CG-CG1 4.26Å; I103-V106 HydrophobicContact CB-CG1 4.12Å; I103-V106 HydrophobicContact CG2-CG1 4.14Å; I103-V106 WeakPolarHBondContact O-CG1 3.41Å; I103-Y114 HydrophobicContact CD1-CE1 3.64Å
104	A	98.2	Very high	96.7	Very high	37 Å²	37	54.5 Å²	54.5	31%	0.306	33%	0.326	S	S	.	.	S	Bend	trans	-77.1	146.7	178.7	0	0	0	0	0	110.9	R87	R87-A104 WeakPolarHBondContact CD-O 3.27Å; R87-A104 PolarHBondContact O-N 3Å
105	S	97.2	Very high	96.8	Very high	73 Å²	73	55.5 Å²	55.5	51%	0.51	32%	0.323	S	S	.	.	S	Bend	trans	51.2	61.6	174.6	-57.5	0	0	0	0	112.3	Q35 R87	Q35-S105 PolarHBondContact O-N 2.79Å; R87-S105 PolarHBondContact NH1-O 2.9Å
106	V	97.2	Very high	96.8	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.079	29%	0.288	C	S	.	.			trans	-66.6	149.6	-178.9	-59.6	0	0	0	0	112.2	L31 P33 S34 Q35 L37 I103 D110	L31-V106 HydrophobicContact CB-CG2 4.33Å; L31-V106 HydrophobicContact CD1-CG2 4.43Å; P33-V106 CarbonylContact C-O 3.47Å; P33-V106 WeakPolarHBondContact CA-O 3.35Å; S34-V106 PolarHBondContact N-O 3.06Å; Q35-V106 WeakPolarHBondContact O-CG2 3.49Å; Q35-V106 PolarHBondContact O-N 3.19Å; L37-V106 HydrophobicContact CB-CG1 3.67Å; I103-V106 HydrophobicContact CB-CG1 4.12Å; I103-V106 HydrophobicContact CG2-CG1 4.14Å; I103-V106 WeakPolarHBondContact O-CG1 3.41Å; V106-D110 WeakPolarHBondContact CA-OD2 3.25Å; V106-D110 HydrophobicContact CB-CB 4.26Å; V106-D110 HydrophobicContact CG1-CB 4.46Å
107	D	95.2	Very high	96.8	Very high	78 Å²	78	47.2 Å²	47.2	42%	0.417	28%	0.275	S	S	.	.			trans	-131	-171.4	173.2	68.3	28	0	0	0	111.6	A109 D110	D107-A109 PolarHBondContact O-N 2.95Å; D107-A109 WeakPolarHBondContact OD1-CA 3.47Å; D107-A109 WeakPolarHBondContact OD1-CB 3.25Å; D107-A109 PolarHBondContact OD1-N 3.36Å; D107-D110 PolarHBondContact N-OD2 2.99Å; D107-D110 PolarHBondContact O-N 3.39Å; D107-D110 PolarHBondContact OD1-N 2.81Å
108	T	93.9	Very high	96.7	Very high	124 Å²	124	52.8 Å²	52.8	76%	0.761	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.7	-25.2	-179.4	51.2	0	0	0	0	113.3	D110 T111	T108-D110 VanDerWaalsContact C-N 3.3Å; T108-T111 WeakPolarHBondContact O-CB 3.44Å; T108-T111 PolarHBondContact O-N 2.86Å; T108-T111 PolarHBondContact O-OG1 2.82Å
109	A	92.7	Very high	96.4	Very high	65 Å²	65	55.5 Å²	55.5	54%	0.537	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-73.4	-22.8	177.6	0	0	0	0	0	112.4	D107 T111	D107-A109 PolarHBondContact O-N 2.95Å; D107-A109 WeakPolarHBondContact OD1-CA 3.47Å; D107-A109 WeakPolarHBondContact OD1-CB 3.25Å; D107-A109 PolarHBondContact OD1-N 3.36Å; A109-T111 PolarHBondContact O-N 2.89Å
110	D	95.6	Very high	96.3	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.059	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-79.1	1.1	174	-56.7	-54.9	0	0	0	112.9	R87 V106 D107 T108 A112 Y114	R87-D110 IonicContact CZ-OD1 3.55Å; R87-D110 IonicContact CZ-OD2 2.72Å; R87-D110 IonicContact NH1-OD1 3.55Å; R87-D110 IonicContact NH1-OD2 3.43Å; R87-D110 PolarHBondContact NH1-OD2 2.72Å; R87-D110 IonicContact NH2-OD1 3.61Å; R87-D110 PolarHBondContact NH2-OD1 3.17Å; R87-D110 IonicContact NH2-OD2 3.73Å; R87-D110 PolarHBondContact NH2-OD2 2.87Å; V106-D110 WeakPolarHBondContact CA-OD2 3.25Å; V106-D110 HydrophobicContact CB-CB 4.26Å; V106-D110 HydrophobicContact CG1-CB 4.46Å; D107-D110 PolarHBondContact N-OD2 2.99Å; D107-D110 PolarHBondContact O-N 3.39Å; D107-D110 PolarHBondContact OD1-N 2.81Å; T108-D110 VanDerWaalsContact C-N 3.3Å; D110-A112 PolarHBondContact O-N 3.27Å; D110-A112 VanDerWaalsContact O-N 3.15Å; D110-Y114 PolarHBondContact O-OH 3.41Å
111	T	96.2	Very high	96.2	Very high	106 Å²	106	58.5 Å²	58.5	65%	0.65	33%	0.33	S	S	*	.			trans	-75	103.5	173.9	-59.4	0	0	0	0	109.9	T108 A109	T108-T111 WeakPolarHBondContact O-CB 3.44Å; T108-T111 PolarHBondContact O-N 2.86Å; T108-T111 PolarHBondContact O-OG1 2.82Å; A109-T111 PolarHBondContact O-N 2.89Å
112	A	96.8	Very high	96.1	Very high	25 Å²	25	61.7 Å²	61.7	21%	0.207	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	165.5	-173.8	0	0	0	0	0	111.3	H59 Q60 P61 D110 Y114	H59-A112 HydrophobicContact CB-CB 3.81Å; Q60-A112 VanDerWaalsContact C-CB 3.49Å; Q60-A112 WeakPolarHBondContact O-CA 3.42Å; Q60-A112 WeakPolarHBondContact O-CB 3.33Å; P61-A112 HydrophobicContact CB-CB 4.47Å; P61-A112 HydrophobicContact CG-CB 4.28Å; D110-A112 PolarHBondContact O-N 3.27Å; D110-A112 VanDerWaalsContact O-N 3.15Å; A112-Y114 HydrophobicContact CB-CD2 4.45Å; A112-Y114 HydrophobicContact CB-CE2 3.98Å; A112-Y114 VanDerWaalsContact O-CD2 3.28Å; A112-Y114 WeakPolarHBondContact O-CD2 3.32Å; A112-Y114 WeakPolarHBondContact O-CE2 3.06Å
113	T	96.7	Very high	95.9	Very high	73 Å²	73	59.3 Å²	59.3	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.6	160.2	-51.4	0	0	0	0	108.4	H59 Q60 Y115	H59-T113 CarbonylContact C-O 3.59Å; H59-T113 VanDerWaalsContact CA-O 3.27Å; H59-T113 WeakPolarHBondContact CA-O 3.12Å; Q60-T113 PolarHBondContact N-O 3.3Å; Q60-T113 PolarHBondContact O-N 3.18Å; T113-Y115 HydrophobicContact CG2-CE1 3.81Å; T113-Y115 HydrophobicContact CG2-CE2 3.77Å; T113-Y115 VanDerWaalsContact CG2-OH 3.29Å; T113-Y115 WeakPolarHBondContact CG2-OH 3.38Å
114	Y	97.9	Very high	95.8	Very high	31 Å²	31	62.9 Å²	62.9	12%	0.122	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.1	-178.9	-70.2	-97	0	0	0	110.4	L37 L39 H59 L69 I103 D110 A112	L37-Y114 HydrophobicContact CD2-CD2 4.43Å; L37-Y114 HydrophobicContact CD2-CE1 4.07Å; L37-Y114 HydrophobicContact CD2-CE2 3.76Å; L39-Y114 HydrophobicContact CD1-CD1 3.39Å; L39-Y114 HydrophobicContact CD1-CD2 4.08Å; L39-Y114 HydrophobicContact CD1-CE1 4.08Å; L39-Y114 HydrophobicContact CD1-CG 3.38Å; H59-Y114 HydrophobicContact CB-CD1 3.67Å; H59-Y114 HydrophobicContact CB-CE1 3.66Å; H59-Y114 HydrophobicContact CB-CG 4.23Å; L69-Y114 HydrophobicContact CD1-CD1 3.92Å; L69-Y114 HydrophobicContact CD1-CE1 3.66Å; I103-Y114 HydrophobicContact CD1-CE1 3.64Å; D110-Y114 PolarHBondContact O-OH 3.41Å; A112-Y114 HydrophobicContact CB-CD2 4.45Å; A112-Y114 HydrophobicContact CB-CE2 3.98Å; A112-Y114 VanDerWaalsContact O-CD2 3.28Å; A112-Y114 WeakPolarHBondContact O-CD2 3.32Å; A112-Y114 WeakPolarHBondContact O-CE2 3.06Å
115	Y	97.1	Very high	95.6	Very high	90 Å²	90	64.7 Å²	64.7	35%	0.353	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.1	179.1	-55.2	-78.7	0	0	0	108.7	W57 I58 Q60 L66 T113	W57-Y115 WeakPolarHBondContact CA-O 3.02Å; I58-Y115 PolarHBondContact N-O 3.12Å; I58-Y115 PolarHBondContact O-N 2.77Å; I58-Y115 VanDerWaalsContact O-O 3.06Å; Q60-Y115 HydrophobicContact CB-CE2 3.99Å; L66-Y115 HydrophobicContact CD2-CD2 4.14Å; L66-Y115 HydrophobicContact CD2-CE2 4.21Å; T113-Y115 HydrophobicContact CG2-CE1 3.81Å; T113-Y115 HydrophobicContact CG2-CE2 3.77Å; T113-Y115 VanDerWaalsContact CG2-OH 3.29Å; T113-Y115 WeakPolarHBondContact CG2-OH 3.38Å
116	C	97	Very high	95.5	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.027	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	161.9	158.9	53.1	0	0	0	0	109.7	Q23 E25 C41 F43 G56 W57	Q23-C116 VanDerWaalsContact CD-O 3.32Å; Q23-C116 WeakPolarHBondContact CG-SG 3.36Å; Q23-C116 PolarHBondContact NE2-O 2.94Å; Q23-C116 PolarHBondContact NE2-SG 2.81Å; Q23-C116 PolarHBondContact OE1-O 2.88Å; E25-C116 PolarHBondContact OE1-N 2.64Å; E25-C116 VanDerWaalsContact OE1-N 3.1Å; E25-C116 PolarHBondContact OE1-SG 3.15Å; C41-C116 HydrophobicContact CB-CB 3.4Å; C41-C116 WeakPolarHBondContact CB-SG 3.49Å; C41-C116 WeakPolarHBondContact SG-CB 3.42Å; C41-C116 CovalentContact SG-SG 2Å; C41-C116 PolarHBondContact SG-SG 3Å; F43-C116 HydrophobicContact CZ-CB 4.29Å; G56-C116 CarbonylContact O-C 3.56Å; G56-C116 VanDerWaalsContact O-CA 3.23Å; G56-C116 WeakPolarHBondContact O-CA 3.4Å; W57-C116 HydrophobicContact CD2-CB 4.17Å; W57-C116 HydrophobicContact CE3-CB 4.12Å; W57-C116 HydrophobicContact CH2-CB 4.3Å; W57-C116 HydrophobicContact CZ2-CB 4.36Å; W57-C116 HydrophobicContact CZ3-CB 4.17Å
117	A	95.4	Very high	95.4	Very high	31 Å²	31	68 Å²	68	26%	0.256	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.3	173	0	0	0	0	0	110	V55 G56 I58	V55-A117 CarbonylContact C-O 3.56Å; V55-A117 VanDerWaalsContact CA-O 3.28Å; V55-A117 WeakPolarHBondContact CA-O 3.45Å; G56-A117 PolarHBondContact N-O 3.44Å; G56-A117 PolarHBondContact O-N 2.88Å; I58-A117 HydrophobicContact CD1-CB 3.88Å
118	R	94.2	Very high	95.4	Very high	138 Å²	138	67.2 Å²	67.2	52%	0.521	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.2	162.8	-167	-174.7	80.6	-173.9	3.7	109.1	F46 M53 G54	F46-R118 HydrophobicContact CE2-CG 4.43Å; F46-R118 HydrophobicContact CZ-CB 4.4Å; F46-R118 HydrophobicContact CZ-CG 4.26Å; M53-R118 WeakPolarHBondContact SD-CD 3.49Å; M53-R118 HydrophobicContact SD-CG 3.52Å; M53-R118 VanDerWaalsContact SD-CG 3.52Å; G54-R118 WeakPolarHBondContact O-CA 3.3Å
119	I	91	Very high	95.5	Very high	108 Å²	108	62 Å²	62	55%	0.554	34%	0.339	S	S	*	.			trans	-118.8	0	176.4	-53.6	176.1	0	0	0	108.6	G54 H71 W73	G54-I119 PolarHBondContact N-O 3.3Å; G54-I119 VanDerWaalsContact N-O 3.12Å; G54-I119 PolarHBondContact O-N 2.71Å; H71-I119 HydrophobicContact CB-CD1 3.83Å; W73-I119 HydrophobicContact CH2-CG2 4.18Å; W73-I119 HydrophobicContact CZ2-CG2 4.48Å

Retrieved 119 of 119 residues in 104.6 ms (Link to these results)

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