A0A075B5L2_MOUSE Loading...

Immunoglobulin kappa chain variable 4-91

AlphaFold DB , UniProt , Accession A0A075B5L2, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-91, Length 119 aa.

						>A0A075B5L2_MOUSE|A0A075B5L2|Igkv4-91
MDFQMQIISLLLISVTVIVSNGEIVLTQSPTTMAASPGEKITITCSASSSISSNYLHWYQQKPGFSPKLLIYRTSNLASGVPARFSGSGSGTSYSLTIGTMEAEDVATYYCQQGSSIPR
					

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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	48	Very low	59.1	Low	222 Å²	222	162.7 Å²	162.7	100%	1.094	82%	0.823	S	S	*	*				0	99.9	0	-80.8	151.6	91.5	0	0	105.4
2	D	51.1	Low	59.6	Low	161 Å²	161	162 Å²	162	86%	0.861	82%	0.821	S	S	*	*			trans	-137.3	90.3	172.9	-76.6	-63.5	0	0	0	107.8	Q4	D2-Q4 PolarHBondContact O-N 2.99Å
3	F	57.7	Low	60.5	Low	205 Å²	205	159.9 Å²	159.9	90%	0.899	81%	0.811	S	S	*	*			trans	-71.8	111	172.1	-94	-94.8	0	0	0	107.8	M5	F3-M5 PolarHBondContact O-N 3.41Å; F3-M5 VanDerWaalsContact O-N 3.12Å
4	Q	57.8	Low	61.3	Low	172 Å²	172	155.7 Å²	155.7	80%	0.804	80%	0.804	S	S	*	*			trans	-62.3	112.2	169.5	-81.3	-76	-50.2	0	0	108.9	D2 Q6	D2-Q4 PolarHBondContact O-N 2.99Å; Q4-Q6 PolarHBondContact O-N 2.92Å
5	M	60.1	Low	62.1	Low	165 Å²	165	153.5 Å²	153.5	81%	0.813	80%	0.8	S	S	*	*			trans	-59.8	102.7	169.4	-103.2	-87.5	-70.5	0	0	109.1	F3 I7	F3-M5 PolarHBondContact O-N 3.41Å; F3-M5 VanDerWaalsContact O-N 3.12Å; M5-I7 PolarHBondContact O-N 3.25Å
6	Q	64.7	Low	62.5	Low	173 Å²	173	151.3 Å²	151.3	81%	0.808	80%	0.795	S	S	*	*			trans	-76.9	114.1	169.3	-80.9	161.5	-45.8	0	0	108.8	Q4 I8	Q4-Q6 PolarHBondContact O-N 2.92Å; Q6-I8 PolarHBondContact O-N 3.03Å; Q6-I8 VanDerWaalsContact O-N 3.14Å
7	I	64.9	Low	62.9	Low	147 Å²	147	149.2 Å²	149.2	75%	0.754	79%	0.79	S	S	*	*			trans	-71.6	104.6	174.6	-56.7	163.2	0	0	0	106.9	M5 S9	M5-I7 PolarHBondContact O-N 3.25Å; I7-S9 PolarHBondContact O-N 2.94Å
8	I	59.2	Low	63	Low	153 Å²	153	149.4 Å²	149.4	79%	0.785	79%	0.789	S	S	*	*			trans	-76	94.9	170.4	-61.5	172.4	0	0	0	106.6	Q6 L10	Q6-I8 PolarHBondContact O-N 3.03Å; Q6-I8 VanDerWaalsContact O-N 3.14Å; I8-L10 PolarHBondContact O-N 2.88Å
9	S	66.6	Low	62.9	Low	102 Å²	102	147.2 Å²	147.2	71%	0.713	78%	0.782	S	S	*	*			trans	-69	97	173.3	-64.2	0	0	0	0	109.4	I7 L11	I7-S9 PolarHBondContact O-N 2.94Å; S9-L11 PolarHBondContact O-N 3.05Å; S9-L11 VanDerWaalsContact O-N 3.16Å
10	L	60.1	Low	62.8	Low	140 Å²	140	145 Å²	145	73%	0.733	78%	0.779	S	S	*	*			trans	-76.4	96.6	173.7	-163.5	78.6	0	0	0	108.6	I8 L12	I8-L10 PolarHBondContact O-N 2.88Å; L10-L12 PolarHBondContact O-N 3.38Å
11	L	60.1	Low	62.7	Low	150 Å²	150	145.5 Å²	145.5	79%	0.785	78%	0.781	S	S	*	*			trans	-70.7	95.5	176.1	-156.1	86.4	0	0	0	108.8	S9 I13	S9-L11 PolarHBondContact O-N 3.05Å; S9-L11 VanDerWaalsContact O-N 3.16Å; L11-I13 HydrophobicContact CD2-CG1 4.23Å; L11-I13 PolarHBondContact O-N 3.24Å
12	L	65.3	Low	63.6	Low	154 Å²	154	137.4 Å²	137.4	81%	0.806	76%	0.755	S	S	*	*			trans	-69.2	95.9	169.8	-73.2	163.8	0	0	0	108.1	L10 S14	L10-L12 PolarHBondContact O-N 3.38Å; L12-S14 PolarHBondContact O-N 2.84Å
13	I	71.1	Confident	65	Low	135 Å²	135	135.7 Å²	135.7	69%	0.692	74%	0.742	S	S	*	*			trans	-69	103.4	171.5	-61.6	165.4	0	0	0	106.7	L11 V15	L11-I13 HydrophobicContact CD2-CG1 4.23Å; L11-I13 PolarHBondContact O-N 3.24Å; I13-V15 HydrophobicContact CG2-CG2 4.42Å; I13-V15 PolarHBondContact O-N 3.48Å; I13-V15 VanDerWaalsContact O-N 3.1Å
14	S	71.8	Confident	66.5	Low	101 Å²	101	126.9 Å²	126.9	71%	0.706	70%	0.704	S	S	*	*			trans	-69	104.8	168.3	52.1	0	0	0	0	108.4	L12 T16	L12-S14 PolarHBondContact O-N 2.84Å; S14-T16 PolarHBondContact O-N 2.96Å
15	V	73.1	Confident	68.2	Low	122 Å²	122	122.3 Å²	122.3	74%	0.739	69%	0.688	S	S	*	*			trans	-74.9	106.6	169.6	180	0	0	0	0	107.7	I13 V17	I13-V15 HydrophobicContact CG2-CG2 4.42Å; I13-V15 PolarHBondContact O-N 3.48Å; I13-V15 VanDerWaalsContact O-N 3.1Å; V15-V17 HydrophobicContact CG1-CG2 4.39Å; V15-V17 PolarHBondContact O-N 2.75Å
16	T	67.9	Low	69.9	Low	119 Å²	119	116.6 Å²	116.6	73%	0.73	66%	0.66	S	S	*	*			trans	-82.3	109.3	168.7	44.6	0	0	0	0	108.7	S14 I18	S14-T16 PolarHBondContact O-N 2.96Å; T16-I18 PolarHBondContact O-N 2.83Å
17	V	70.2	Confident	71.5	Confident	116 Å²	116	112.8 Å²	112.8	70%	0.703	65%	0.648	S	S	*	*			trans	-80.7	108.9	167.7	-168.9	0	0	0	0	107	V15 V19	V15-V17 HydrophobicContact CG1-CG2 4.39Å; V15-V17 PolarHBondContact O-N 2.75Å; V17-V19 HydrophobicContact CG1-CG1 4.37Å; V17-V19 PolarHBondContact O-N 3.45Å
18	I	65	Low	73.1	Confident	153 Å²	153	108.6 Å²	108.6	79%	0.785	63%	0.626	S	S	*	*			trans	-77.6	97.1	166.4	-57.2	174.2	0	0	0	106	T16 S20	T16-I18 PolarHBondContact O-N 2.83Å; I18-S20 PolarHBondContact O-N 3.42Å
19	V	60.6	Low	75	Confident	106 Å²	106	104.4 Å²	104.4	64%	0.642	61%	0.61	S	S	*	*			trans	-64.8	128	165.4	-68.6	0	0	0	0	107.8	V17 N21	V17-V19 HydrophobicContact CG1-CG1 4.37Å; V17-V19 PolarHBondContact O-N 3.45Å; V19-N21 PolarHBondContact O-N 2.81Å; V19-N21 PolarHBondContact O-OD1 2.78Å
20	S	60.2	Low	76.4	Confident	103 Å²	103	102.2 Å²	102.2	72%	0.72	59%	0.593	S	S	*	*			trans	-75.2	118.2	-177.6	55.8	0	0	0	0	110.7	I18 G22	I18-S20 PolarHBondContact O-N 3.42Å; S20-G22 PolarHBondContact O-N 3.41Å
21	N	62.1	Low	78.1	Confident	156 Å²	156	102 Å²	102	83%	0.834	60%	0.598	S	S	*	*			trans	-77.8	45	-174.5	-62.9	3.3	0	0	0	114.3	V19	V19-N21 PolarHBondContact O-N 2.81Å; V19-N21 PolarHBondContact O-OD1 2.78Å
22	G	66.5	Low	79.8	Confident	52 Å²	52	100.7 Å²	100.7	54%	0.536	60%	0.596	S	S	.	*			trans	-91.3	-2.2	-177.1	0	0	0	0	0	115.6	S20	S20-G22 PolarHBondContact O-N 3.41Å
23	E	80.5	Confident	81.1	Confident	125 Å²	125	97.5 Å²	97.5	58%	0.584	58%	0.579	S	S	*	*			trans	-95	127	-171.5	-169.7	175.4	-169	0	0	112.3
24	I	89.7	Confident	82.2	Confident	20 Å²	20	96 Å²	96	10%	0.103	59%	0.586	C	S	.	*			trans	-90.8	112.3	171	-53.9	-176.2	0	0	0	108.7	L26 A47 S49 I51 Q113 S116	I24-L26 HydrophobicContact CG2-CD2 4.42Å; I24-A47 HydrophobicContact CG2-CB 4.02Å; I24-S49 WeakPolarHBondContact CD1-OG 3.48Å; I24-S49 VanDerWaalsContact CG1-OG 3.29Å; I24-S49 WeakPolarHBondContact CG1-OG 3.19Å; I24-I51 HydrophobicContact CD1-CG1 3.97Å; I24-I51 HydrophobicContact CG2-CD1 3.91Å; I24-I51 HydrophobicContact CG2-CG1 3.98Å; I24-Q113 HydrophobicContact CB-CG 4Å; I24-Q113 HydrophobicContact CG2-CG 4.08Å; I24-S116 WeakPolarHBondContact CG1-OG 3.46Å
25	V	93	Very high	83.2	Confident	77 Å²	77	92.8 Å²	92.8	47%	0.467	57%	0.566	S	S	.	*			trans	-90.3	133.5	179.2	-178.6	0	0	0	0	109.4	A47 S48	V25-A47 CarbonylContact O-C 3.52Å; V25-A47 WeakPolarHBondContact O-CA 3.22Å; V25-S48 PolarHBondContact N-OG 3.15Å; V25-S48 PolarHBondContact O-N 3.39Å
26	L	95.6	Very high	84.2	Confident	45 Å²	45	90.2 Å²	90.2	24%	0.236	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	133.7	177	-59.3	179.9	0	0	0	110.6	I24 S46 A47 I51 C111 Q113	I24-L26 HydrophobicContact CG2-CD2 4.42Å; L26-S46 CarbonylContact C-O 3.53Å; L26-S46 WeakPolarHBondContact CA-O 3.48Å; L26-A47 HydrophobicContact CD2-CB 3.62Å; L26-I51 HydrophobicContact CD2-CD1 3.82Å; L26-C111 HydrophobicContact CD1-CB 4.5Å; L26-C111 WeakPolarHBondContact CD1-O 3.34Å; L26-Q113 HydrophobicContact CD1-CB 4.17Å; L26-Q113 HydrophobicContact CD1-CG 4.21Å; L26-Q113 HydrophobicContact CD2-CB 4.46Å; L26-Q113 HydrophobicContact CD2-CG 4.46Å; L26-Q113 HydrophobicContact CG-CG 4.4Å
27	T	98.1	Very high	85.5	Confident	92 Å²	92	89.6 Å²	89.6	56%	0.564	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	176	-56.2	0	0	0	0	109.5	C45 S46	T27-C45 CarbonylContact O-C 3.5Å; T27-C45 WeakPolarHBondContact O-CA 3.41Å; T27-S46 PolarHBondContact N-O 2.97Å; T27-S46 PolarHBondContact O-N 3.46Å
28	Q	98.4	Very high	86.7	Confident	59 Å²	59	86.4 Å²	86.4	28%	0.276	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.9	-179	-55.7	-168.6	136.8	0	0	112.7	T44 Y109 C111	Q28-T44 WeakPolarHBondContact CA-O 3.36Å; Q28-Y109 PolarHBondContact NE2-O 3.17Å; Q28-C111 PolarHBondContact OE1-SG 2.76Å
29	S	98.3	Very high	88.3	Confident	66 Å²	66	83.5 Å²	83.5	46%	0.462	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.6	173.8	-171.8	0	0	0	0	112	T44	S29-T44 PolarHBondContact N-O 2.94Å; S29-T44 VanDerWaalsContact N-O 3.08Å; S29-T44 PolarHBondContact O-N 2.95Å; S29-T44 PolarHBondContact O-OG1 2.81Å
30	P	97.7	Very high	90.1	Very high	55 Å²	55	85.3 Å²	85.3	36%	0.357	52%	0.524	S	S	.	.			cis	-71.5	160.1	-9.8	32.1	-35.2	0	0	0	111.8	M33	P30-M33 HydrophobicContact CG-CB 4.03Å; P30-M33 HydrophobicContact CG-CG 4.37Å; P30-M33 HydrophobicContact CG-SD 3.91Å
31	T	95.1	Very high	91.8	Very high	135 Å²	135	80.6 Å²	80.6	83%	0.828	49%	0.491	S	S	*	.	S	Bend	trans	-75.2	-27.9	176.5	49.2	0	0	0	0	112.9
32	T	95.3	Very high	93.5	Very high	123 Å²	123	76.1 Å²	76.1	76%	0.755	47%	0.469	S	S	*	.	S	Bend	trans	-150.5	142.3	176.3	-56.6	0	0	0	0	108.1
33	M	93.8	Very high	95.1	Very high	88 Å²	88	74.5 Å²	74.5	43%	0.433	45%	0.448	S	S	.	.			trans	-149.4	153.6	174.3	65.6	-173.2	-60.2	0	0	110.6	P30 I41	P30-M33 HydrophobicContact CG-CB 4.03Å; P30-M33 HydrophobicContact CG-CG 4.37Å; P30-M33 HydrophobicContact CG-SD 3.91Å; M33-I41 HydrophobicContact CE-CB 4.11Å; M33-I41 HydrophobicContact CE-CD1 3.93Å; M33-I41 HydrophobicContact CE-CG1 3.72Å; M33-I41 HydrophobicContact CE-CG2 3.59Å; M33-I41 HydrophobicContact SD-CB 4.42Å; M33-I41 HydrophobicContact SD-CD1 4.22Å; M33-I41 HydrophobicContact SD-CG1 4.4Å; M33-I41 HydrophobicContact SD-CG2 3.34Å; M33-I41 WeakPolarHBondContact SD-CG2 3.25Å
34	A	93.7	Very high	95.9	Very high	102 Å²	102	71.1 Å²	71.1	84%	0.843	44%	0.436	S	S	*	.			trans	-112	142.7	166.5	0	0	0	0	0	107.9
35	A	91.9	Very high	96.3	Very high	35 Å²	35	70.2 Å²	70.2	29%	0.289	43%	0.431	S	S	.	.			trans	-145.1	148.8	177.7	0	0	0	0	0	109.3	E39 I41 M101	A35-E39 WeakPolarHBondContact CA-OE2 3.35Å; A35-E39 HydrophobicContact CB-CB 4.46Å; A35-E39 WeakPolarHBondContact CB-OE2 3.42Å; A35-I41 HydrophobicContact CB-CD1 3.42Å; A35-I41 VanDerWaalsContact CB-CD1 3.42Å; A35-I41 HydrophobicContact CB-CG1 3.89Å; A35-M101 HydrophobicContact CB-CG 4.34Å
36	S	94.4	Very high	96.6	Very high	67 Å²	67	69.2 Å²	69.2	47%	0.469	43%	0.428	S	S	.	.			trans	-85.6	152	174.3	-56.4	0	0	0	0	110.6	G38 E39	S36-G38 PolarHBondContact O-N 2.94Å; S36-E39 PolarHBondContact N-OE2 2.79Å; S36-E39 WeakPolarHBondContact O-CB 3.34Å; S36-E39 WeakPolarHBondContact O-CG 3.14Å; S36-E39 PolarHBondContact O-N 2.86Å; S36-E39 VanDerWaalsContact O-N 3.09Å
37	P	95	Very high	96.6	Very high	106 Å²	106	67.6 Å²	67.6	69%	0.688	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	135.2	171.8	-26.4	35.1	0	0	0	111.7	M101	P37-M101 CarbonylContact C-O 3.54Å; P37-M101 VanDerWaalsContact CA-O 3.28Å; P37-M101 WeakPolarHBondContact CA-O 3.37Å
38	G	96.8	Very high	96.4	Very high	49 Å²	49	66.8 Å²	66.8	51%	0.505	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-15.4	-176.7	0	0	0	0	0	115.3	S36 M101	S36-G38 PolarHBondContact O-N 2.94Å; G38-M101 PolarHBondContact N-O 3.5Å
39	E	97.4	Very high	96.2	Very high	92 Å²	92	66.3 Å²	66.3	43%	0.43	42%	0.423	S	S	.	.			trans	-73.1	150.4	177.5	-68.4	-177.2	158.2	0	0	112	A35 S36 M101	A35-E39 WeakPolarHBondContact CA-OE2 3.35Å; A35-E39 HydrophobicContact CB-CB 4.46Å; A35-E39 WeakPolarHBondContact CB-OE2 3.42Å; S36-E39 PolarHBondContact N-OE2 2.79Å; S36-E39 WeakPolarHBondContact O-CB 3.34Å; S36-E39 WeakPolarHBondContact O-CG 3.14Å; S36-E39 PolarHBondContact O-N 2.86Å; S36-E39 VanDerWaalsContact O-N 3.09Å; E39-M101 VanDerWaalsContact O-CB 3.3Å; E39-M101 WeakPolarHBondContact O-CB 3.38Å; E39-M101 PolarHBondContact O-N 3.09Å
40	K	97.9	Very high	96	Very high	144 Å²	144	67.3 Å²	67.3	63%	0.626	43%	0.429	S	S	*	.			trans	-88.1	130.4	172.5	-179.6	-179.3	178.6	179.9	0	109.9	T97 I98	K40-T97 HydrophobicContact CD-CG2 4.37Å; K40-T97 HydrophobicContact CG-CG2 4.18Å; K40-I98 CarbonylContact C-O 3.53Å; K40-I98 WeakPolarHBondContact CA-O 3.29Å
41	I	97.2	Very high	95.8	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.9	176.7	-64.4	-177.6	0	0	0	110.2	M33 A35 I43 T97 I98 M101	M33-I41 HydrophobicContact CE-CB 4.11Å; M33-I41 HydrophobicContact CE-CD1 3.93Å; M33-I41 HydrophobicContact CE-CG1 3.72Å; M33-I41 HydrophobicContact CE-CG2 3.59Å; M33-I41 HydrophobicContact SD-CB 4.42Å; M33-I41 HydrophobicContact SD-CD1 4.22Å; M33-I41 HydrophobicContact SD-CG1 4.4Å; M33-I41 HydrophobicContact SD-CG2 3.34Å; M33-I41 WeakPolarHBondContact SD-CG2 3.25Å; A35-I41 HydrophobicContact CB-CD1 3.42Å; A35-I41 VanDerWaalsContact CB-CD1 3.42Å; A35-I41 HydrophobicContact CB-CG1 3.89Å; I41-I43 HydrophobicContact CG2-CG1 4.14Å; I41-T97 CarbonylContact O-C 3.48Å; I41-T97 VanDerWaalsContact O-CA 3.25Å; I41-T97 WeakPolarHBondContact O-CA 3.3Å; I41-I98 HydrophobicContact CB-CB 4.19Å; I41-I98 HydrophobicContact CB-CD1 4.41Å; I41-I98 HydrophobicContact CB-CG1 4.35Å; I41-I98 HydrophobicContact CG2-CD1 4.44Å; I41-I98 PolarHBondContact N-O 3.36Å; I41-I98 PolarHBondContact O-N 3.02Å; I41-M101 HydrophobicContact CD1-CB 4.31Å; I41-M101 HydrophobicContact CD1-CE 3.21Å; I41-M101 HydrophobicContact CD1-CG 3.89Å; I41-M101 HydrophobicContact CD1-SD 3.36Å; I41-M101 WeakPolarHBondContact CD1-SD 3.38Å; I41-M101 HydrophobicContact CG1-SD 4.36Å
42	T	98.3	Very high	95.7	Very high	63 Å²	63	61.1 Å²	61.1	39%	0.387	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.8	169.8	-54.5	0	0	0	0	109.5	L96	T42-L96 CarbonylContact C-O 3.18Å; T42-L96 WeakPolarHBondContact CA-O 3.45Å
43	I	98.5	Very high	95.5	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.087	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.2	171.8	-55.7	172.9	0	0	0	107	I41 W58 S95 L96 Y109	I41-I43 HydrophobicContact CG2-CG1 4.14Å; I43-W58 HydrophobicContact CB-CH2 4.39Å; I43-W58 HydrophobicContact CG2-CH2 4.01Å; I43-W58 HydrophobicContact CG2-CZ3 4.07Å; I43-S95 CarbonylContact O-C 3.58Å; I43-S95 WeakPolarHBondContact O-CA 3.35Å; I43-S95 WeakPolarHBondContact O-CB 3.19Å; I43-L96 HydrophobicContact CB-CB 4.45Å; I43-L96 HydrophobicContact CD1-CD2 4.38Å; I43-L96 PolarHBondContact N-O 2.87Å; I43-L96 PolarHBondContact O-N 3.2Å; I43-Y109 HydrophobicContact CD1-CD2 3.85Å; I43-Y109 HydrophobicContact CD1-CG 3.96Å
44	T	98.5	Very high	95.6	Very high	55 Å²	55	57.4 Å²	57.4	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	150.6	176.5	61.5	0	0	0	0	110.9	Q28 S29 Y94	Q28-T44 WeakPolarHBondContact CA-O 3.36Å; S29-T44 PolarHBondContact N-O 2.94Å; S29-T44 VanDerWaalsContact N-O 3.08Å; S29-T44 PolarHBondContact O-N 2.95Å; S29-T44 PolarHBondContact O-OG1 2.81Å; T44-Y94 CarbonylContact C-O 3.46Å; T44-Y94 WeakPolarHBondContact CA-O 3.32Å
45	C	98.3	Very high	95.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	113.9	173.3	175.8	0	0	0	0	108.6	T27 W58 Y94 C111	T27-C45 CarbonylContact O-C 3.5Å; T27-C45 WeakPolarHBondContact O-CA 3.41Å; C45-W58 HydrophobicContact CB-CH2 3.63Å; C45-W58 HydrophobicContact CB-CZ2 3.7Å; C45-Y94 PolarHBondContact N-O 3.02Å; C45-Y94 PolarHBondContact O-N 2.96Å; C45-C111 HydrophobicContact CB-CB 3.54Å; C45-C111 WeakPolarHBondContact CB-SG 3.48Å; C45-C111 WeakPolarHBondContact SG-CB 3.28Å; C45-C111 CovalentContact SG-SG 2.03Å; C45-C111 PolarHBondContact SG-SG 3Å
46	S	98.1	Very high	95.9	Very high	56 Å²	56	56 Å²	56	39%	0.392	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.5	178.9	-61.3	0	0	0	0	110.4	L26 T27 T92	L26-S46 CarbonylContact C-O 3.53Å; L26-S46 WeakPolarHBondContact CA-O 3.48Å; T27-S46 PolarHBondContact N-O 2.97Å; T27-S46 PolarHBondContact O-N 3.46Å; S46-T92 CarbonylContact C-O 3.53Å; S46-T92 VanDerWaalsContact CA-O 3.28Å; S46-T92 WeakPolarHBondContact CA-O 3.3Å
47	A	95.9	Very high	96	Very high	11 Å²	11	54.4 Å²	54.4	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.3	178.4	0	0	0	0	0	111.6	I24 V25 L26 S49 I51 T92	I24-A47 HydrophobicContact CG2-CB 4.02Å; V25-A47 CarbonylContact O-C 3.52Å; V25-A47 WeakPolarHBondContact O-CA 3.22Å; L26-A47 HydrophobicContact CD2-CB 3.62Å; A47-S49 WeakPolarHBondContact CB-O 3.34Å; A47-S49 PolarHBondContact O-N 2.81Å; A47-I51 HydrophobicContact CB-CD1 3.38Å; A47-I51 HydrophobicContact CB-CG1 4.14Å; A47-T92 PolarHBondContact N-O 3.32Å; A47-T92 WeakPolarHBondContact O-CB 3.46Å
48	S	94.7	Very high	96.2	Very high	76 Å²	76	49.4 Å²	49.4	53%	0.531	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-20.2	176.5	60.9	0	0	0	0	113.7	V25	V25-S48 PolarHBondContact N-OG 3.15Å; V25-S48 PolarHBondContact O-N 3.39Å
49	S	93.4	Very high	96.3	Very high	49 Å²	49	50.1 Å²	50.1	34%	0.343	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	164.2	175.7	66.7	0	0	0	0	111.1	I24 A47 I51	I24-S49 WeakPolarHBondContact CD1-OG 3.48Å; I24-S49 VanDerWaalsContact CG1-OG 3.29Å; I24-S49 WeakPolarHBondContact CG1-OG 3.19Å; A47-S49 WeakPolarHBondContact CB-O 3.34Å; A47-S49 PolarHBondContact O-N 2.81Å; S49-I51 PolarHBondContact O-N 3.06Å
50	S	94	Very high	96.3	Very high	86 Å²	86	47.2 Å²	47.2	60%	0.601	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	129.4	179.6	-172.4	0	0	0	0	111.7	G91	S50-G91 WeakPolarHBondContact CA-O 3.47Å; S50-G91 WeakPolarHBondContact OG-CA 3.06Å
51	I	93.4	Very high	96.4	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.1	173.1	-61.9	158.2	0	0	0	107.8	I24 L26 A47 S49 S53 G91 Y94 Q113	I24-I51 HydrophobicContact CD1-CG1 3.97Å; I24-I51 HydrophobicContact CG2-CD1 3.91Å; I24-I51 HydrophobicContact CG2-CG1 3.98Å; L26-I51 HydrophobicContact CD2-CD1 3.82Å; A47-I51 HydrophobicContact CB-CD1 3.38Å; A47-I51 HydrophobicContact CB-CG1 4.14Å; S49-I51 PolarHBondContact O-N 3.06Å; I51-S53 PolarHBondContact O-N 3.4Å; I51-G91 PolarHBondContact N-O 3.04Å; I51-Y94 HydrophobicContact CB-CE2 4.25Å; I51-Y94 WeakPolarHBondContact CB-OH 3.17Å; I51-Y94 HydrophobicContact CD1-CE2 4.18Å; I51-Y94 PolarHBondContact O-OH 2.83Å; I51-Q113 HydrophobicContact CD1-CB 3.55Å; I51-Q113 HydrophobicContact CD1-CG 4.22Å; I51-Q113 HydrophobicContact CG1-CB 4.15Å; I51-Q113 HydrophobicContact CG2-CB 4.36Å
52	S	93.4	Very high	96.3	Very high	58 Å²	58	46.4 Å²	46.4	41%	0.406	26%	0.263	S	S	.	.			trans	-68.4	135.1	167.4	166.8	0	0	0	0	109.2	N54 Y55	S52-N54 PolarHBondContact O-N 2.99Å; S52-Y55 PolarHBondContact O-N 2.88Å
53	S	91.3	Very high	96.3	Very high	44 Å²	44	48.4 Å²	48.4	31%	0.308	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54.5	-20.4	-178.6	-56.8	0	0	0	0	113.9	I51 Y55 R73 T74	I51-S53 PolarHBondContact O-N 3.4Å; S53-Y55 PolarHBondContact O-N 2.85Å; S53-R73 CarbonylContact O-C 3.52Å; S53-R73 WeakPolarHBondContact O-CA 3.27Å; S53-T74 WeakPolarHBondContact CA-OG1 3.3Å; S53-T74 WeakPolarHBondContact CB-OG1 3.31Å; S53-T74 PolarHBondContact O-N 2.81Å; S53-T74 PolarHBondContact O-OG1 3.06Å; S53-T74 VanDerWaalsContact O-OG1 3.04Å
54	N	94.4	Very high	96.2	Very high	88 Å²	88	51.8 Å²	51.8	47%	0.471	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-66.9	-16.2	173.9	-73.2	-37.2	0	0	0	114.5	S52 R73	S52-N54 PolarHBondContact O-N 2.99Å; N54-R73 WeakPolarHBondContact O-CG 3.38Å
55	Y	94.9	Very high	96.1	Very high	108 Å²	108	55.3 Å²	55.3	42%	0.424	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-112.7	1.2	-172	-64.9	-63.2	0	0	0	114	S52 S53 H57 Q113 G114	S52-Y55 PolarHBondContact O-N 2.88Å; S53-Y55 PolarHBondContact O-N 2.85Å; Y55-H57 PolarHBondContact O-CD2 2.79Å; Y55-H57 VanDerWaalsContact O-CD2 3.32Å; Y55-Q113 CarbonylContact O-C 3.55Å; Y55-Q113 VanDerWaalsContact O-CA 3.24Å; Y55-Q113 WeakPolarHBondContact O-CA 3.41Å; Y55-G114 WeakPolarHBondContact CD1-O 3.42Å; Y55-G114 PolarHBondContact O-N 3.02Å
56	L	97.1	Very high	96.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128	174.3	-168.5	-80.8	0	0	0	110	R73 T74 Y94 C111 Q112	L56-R73 PolarHBondContact O-N 2.78Å; L56-R73 VanDerWaalsContact O-N 3.13Å; L56-T74 PolarHBondContact O-N 3.12Å; L56-Y94 HydrophobicContact CB-CD1 4.11Å; L56-Y94 HydrophobicContact CB-CE1 3.91Å; L56-Y94 HydrophobicContact CD1-CD1 3.99Å; L56-Y94 HydrophobicContact CD1-CG 4.08Å; L56-Y94 HydrophobicContact CD2-CD2 4.45Å; L56-Y94 HydrophobicContact CD2-CG 4.48Å; L56-Y94 HydrophobicContact CG-CD1 3.68Å; L56-Y94 HydrophobicContact CG-CD2 4.02Å; L56-Y94 HydrophobicContact CG-CE1 3.97Å; L56-Y94 HydrophobicContact CG-CE2 4.3Å; L56-Y94 HydrophobicContact CG-CG 3.69Å; L56-C111 HydrophobicContact CD2-CB 4.12Å; L56-Q112 WeakPolarHBondContact CD2-O 3.29Å
57	H	98.1	Very high	96.1	Very high	33 Å²	33	59.6 Å²	59.6	15%	0.153	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.2	179.7	-55.9	-85.3	0	0	0	110.3	Y55 Y59 L69 I71 Y72 C111 Q112	Y55-H57 PolarHBondContact O-CD2 2.79Å; Y55-H57 VanDerWaalsContact O-CD2 3.32Å; H57-Y59 HydrophobicContact CB-CD2 4.46Å; H57-Y59 HydrophobicContact CB-CE2 3.71Å; H57-L69 HydrophobicContact CB-CD1 4.15Å; H57-I71 CarbonylContact C-O 3.49Å; H57-I71 VanDerWaalsContact CA-O 3.3Å; H57-I71 WeakPolarHBondContact CA-O 3.48Å; H57-Y72 VanDerWaalsContact ND1-CA 3.31Å; H57-Y72 WeakPolarHBondContact ND1-CA 3.34Å; H57-Y72 VanDerWaalsContact ND1-CB 3.3Å; H57-Y72 WeakPolarHBondContact ND1-CB 3.49Å; H57-C111 CarbonylContact O-C 3.01Å; H57-C111 VanDerWaalsContact O-CA 3.28Å; H57-C111 WeakPolarHBondContact O-CA 3.38Å; H57-Q112 PolarHBondContact N-O 3.04Å; H57-Q112 PolarHBondContact O-N 3.06Å
58	W	98.6	Very high	96.2	Very high	1 Å²	1	65.7 Å²	65.7	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.5	170.6	-70.5	94.9	0	0	0	110.2	I43 C45 L70 I71 L96 Y110 C111	I43-W58 HydrophobicContact CB-CH2 4.39Å; I43-W58 HydrophobicContact CG2-CH2 4.01Å; I43-W58 HydrophobicContact CG2-CZ3 4.07Å; C45-W58 HydrophobicContact CB-CH2 3.63Å; C45-W58 HydrophobicContact CB-CZ2 3.7Å; W58-L70 HydrophobicContact CB-CB 4.44Å; W58-L70 HydrophobicContact CB-CD2 4.49Å; W58-L70 WeakPolarHBondContact O-CA 3.3Å; W58-L70 WeakPolarHBondContact O-CB 3.39Å; W58-L70 PolarHBondContact O-N 3.26Å; W58-I71 HydrophobicContact CB-CB 4.09Å; W58-I71 HydrophobicContact CB-CG1 4.45Å; W58-I71 PolarHBondContact N-O 3.22Å; W58-I71 PolarHBondContact O-N 3.24Å; W58-I71 VanDerWaalsContact O-N 3.14Å; W58-L96 HydrophobicContact CD2-CB 3.65Å; W58-L96 HydrophobicContact CD2-CD2 4.15Å; W58-L96 HydrophobicContact CD2-CG 4.38Å; W58-L96 HydrophobicContact CE3-CB 3.83Å; W58-L96 HydrophobicContact CE3-CD2 3.83Å; W58-L96 HydrophobicContact CE3-CG 4.44Å; W58-L96 HydrophobicContact CG-CB 4.23Å; W58-L96 HydrophobicContact CG-CD1 4.48Å; W58-L96 HydrophobicContact CH2-CB 3.88Å; W58-L96 HydrophobicContact CZ2-CB 3.71Å; W58-L96 HydrophobicContact CZ3-CB 3.95Å; W58-L96 HydrophobicContact CZ3-CD2 4.29Å; W58-Y110 CarbonylContact C-O 3.52Å; W58-Y110 VanDerWaalsContact CA-O 3.3Å; W58-Y110 WeakPolarHBondContact CA-O 3.15Å; W58-C111 HydrophobicContact CD2-CB 4.08Å; W58-C111 HydrophobicContact CE3-CB 3.91Å; W58-C111 HydrophobicContact CH2-CB 3.88Å; W58-C111 HydrophobicContact CZ2-CB 4.02Å; W58-C111 HydrophobicContact CZ3-CB 3.81Å
59	Y	98.6	Very high	96.4	Very high	64 Å²	64	65.4 Å²	65.4	25%	0.251	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.1	177.1	-64.5	-99.3	0	0	0	110.1	H57 K68 L69 Y109 Y110 Q112	H57-Y59 HydrophobicContact CB-CD2 4.46Å; H57-Y59 HydrophobicContact CB-CE2 3.71Å; Y59-K68 CarbonylContact C-O 3.56Å; Y59-K68 WeakPolarHBondContact CA-O 3.42Å; Y59-L69 HydrophobicContact CD1-CB 4.33Å; Y59-L69 HydrophobicContact CD1-CD1 4.44Å; Y59-L69 HydrophobicContact CE1-CB 4.08Å; Y59-L69 HydrophobicContact CE1-CD1 3.92Å; Y59-L69 HydrophobicContact CE2-CD1 4.3Å; Y59-Y109 WeakPolarHBondContact O-CA 3.44Å; Y59-Y110 PolarHBondContact N-O 3.16Å; Y59-Y110 PolarHBondContact O-N 2.84Å; Y59-Q112 HydrophobicContact CD2-CB 4.23Å; Y59-Q112 HydrophobicContact CE2-CB 3.87Å; Y59-Q112 HydrophobicContact CE2-CG 4.41Å; Y59-Q112 PolarHBondContact OH-OE1 3.14Å
60	Q	98.4	Very high	96.6	Very high	31 Å²	31	63.3 Å²	63.3	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	172	-175	-172	53	0	0	109	K68 L70 A107 Y109	Q60-K68 PolarHBondContact N-O 2.89Å; Q60-K68 PolarHBondContact O-N 2.94Å; Q60-L70 HydrophobicContact CB-CB 4.46Å; Q60-L70 HydrophobicContact CB-CD1 4.37Å; Q60-A107 HydrophobicContact CG-CB 3.4Å; Q60-A107 VanDerWaalsContact CG-CB 3.4Å; Q60-Y109 HydrophobicContact CB-CD1 4.16Å; Q60-Y109 HydrophobicContact CB-CE1 3.95Å; Q60-Y109 HydrophobicContact CG-CD1 4.24Å; Q60-Y109 HydrophobicContact CG-CE1 3.71Å; Q60-Y109 PolarHBondContact NE2-OH 2.78Å
61	Q	98.4	Very high	96.9	Very high	54 Å²	54	59.2 Å²	59.2	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.7	174.5	-172.7	179.1	20.7	0	0	110.3	F65 P67 A107 T108 Y110	Q61-F65 VanDerWaalsContact CG-O 3.25Å; Q61-F65 WeakPolarHBondContact CG-O 3.34Å; Q61-F65 PolarHBondContact NE2-O 3.5Å; Q61-P67 HydrophobicContact CB-CB 4.34Å; Q61-P67 HydrophobicContact CB-CG 4.19Å; Q61-P67 HydrophobicContact CG-CG 4.14Å; Q61-A107 WeakPolarHBondContact O-CA 3.38Å; Q61-A107 WeakPolarHBondContact O-CB 3.43Å; Q61-T108 PolarHBondContact N-O 3.26Å; Q61-T108 PolarHBondContact O-N 3.23Å; Q61-Y110 HydrophobicContact CB-CD2 4.46Å; Q61-Y110 HydrophobicContact CB-CE2 3.71Å; Q61-Y110 VanDerWaalsContact OE1-CE2 3.25Å; Q61-Y110 PolarHBondContact OE1-OH 2.98Å
62	K	97	Very high	97.1	Very high	77 Å²	77	63.1 Å²	63.1	34%	0.335	34%	0.344	S	S	.	.			trans	-78.1	151.1	171.8	-64.7	-171	178.7	-165.1	0	110.3	G64 F65 E104 A107	K62-G64 PolarHBondContact O-N 3.14Å; K62-F65 HydrophobicContact CB-CB 4.44Å; K62-F65 HydrophobicContact CB-CD2 3.88Å; K62-F65 PolarHBondContact O-N 2.8Å; K62-E104 WeakPolarHBondContact CE-O 3.35Å; K62-E104 PolarHBondContact NZ-O 2.81Å; K62-A107 HydrophobicContact CG-CB 4.25Å
63	P	96.3	Very high	97.3	Very high	105 Å²	105	66.8 Å²	66.8	68%	0.682	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	126.9	177.9	-26.8	34.9	0	0	0	112.1	F65	P63-F65 VanDerWaalsContact C-N 3.29Å; P63-F65 WeakPolarHBondContact O-CD2 3.32Å; P63-F65 PolarHBondContact O-N 3.33Å
64	G	97.2	Very high	97.6	Very high	88 Å²	88	65 Å²	65	91%	0.907	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	1.2	-179.7	0	0	0	0	0	115.8	K62	K62-G64 PolarHBondContact O-N 3.14Å
65	F	97.2	Very high	97.8	Very high	129 Å²	129	64 Å²	64	57%	0.566	34%	0.336	S	S	*	.	S	Bend	trans	-113.3	161.1	177.4	-64.2	-87.5	0	0	0	111.9	Q61 K62 P63	Q61-F65 VanDerWaalsContact CG-O 3.25Å; Q61-F65 WeakPolarHBondContact CG-O 3.34Å; Q61-F65 PolarHBondContact NE2-O 3.5Å; K62-F65 HydrophobicContact CB-CB 4.44Å; K62-F65 HydrophobicContact CB-CD2 3.88Å; K62-F65 PolarHBondContact O-N 2.8Å; P63-F65 VanDerWaalsContact C-N 3.29Å; P63-F65 WeakPolarHBondContact O-CD2 3.32Å; P63-F65 PolarHBondContact O-N 3.33Å
66	S	97.6	Very high	97.9	Very high	83 Å²	83	61.9 Å²	61.9	58%	0.58	33%	0.332	S	S	*	.			trans	-71.3	152	169.8	61.1	0	0	0	0	111	K68	S66-K68 PolarHBondContact O-N 3.08Å
67	P	98	Very high	98	Very high	64 Å²	64	64.8 Å²	64.8	42%	0.416	35%	0.347	S	S	.	.			trans	-55.6	138.5	169.8	-23.2	33.4	0	0	0	111.5	Q61	Q61-P67 HydrophobicContact CB-CB 4.34Å; Q61-P67 HydrophobicContact CB-CG 4.19Å; Q61-P67 HydrophobicContact CG-CG 4.14Å
68	K	98.3	Very high	98	Very high	138 Å²	138	64 Å²	64	60%	0.6	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.4	175.2	-67.3	-175.1	179.4	-178.4	0	110	Y59 Q60 S66 L70	Y59-K68 CarbonylContact C-O 3.56Å; Y59-K68 WeakPolarHBondContact CA-O 3.42Å; Q60-K68 PolarHBondContact N-O 2.89Å; Q60-K68 PolarHBondContact O-N 2.94Å; S66-K68 PolarHBondContact O-N 3.08Å; K68-L70 PolarHBondContact O-N 2.83Å
69	L	98.5	Very high	98	Very high	70 Å²	70	70.1 Å²	70.1	37%	0.366	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.9	176.8	-176.6	67.2	0	0	0	109.8	H57 Y59 Y72 A78	H57-L69 HydrophobicContact CB-CD1 4.15Å; Y59-L69 HydrophobicContact CD1-CB 4.33Å; Y59-L69 HydrophobicContact CD1-CD1 4.44Å; Y59-L69 HydrophobicContact CE1-CB 4.08Å; Y59-L69 HydrophobicContact CE1-CD1 3.92Å; Y59-L69 HydrophobicContact CE2-CD1 4.3Å; L69-Y72 HydrophobicContact CD2-CD1 4.49Å; L69-A78 HydrophobicContact CB-CB 4.44Å; L69-A78 HydrophobicContact CD2-CB 4.25Å; L69-A78 HydrophobicContact CG-CB 4.09Å; L69-A78 WeakPolarHBondContact O-CB 3.35Å
70	L	98.6	Very high	98	Very high	5 Å²	5	70.8 Å²	70.8	3%	0.026	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-52.9	179.1	-175.5	74.5	0	0	0	110.4	W58 Q60 K68 A78 V81 F85 L96 Y109	W58-L70 HydrophobicContact CB-CB 4.44Å; W58-L70 HydrophobicContact CB-CD2 4.49Å; W58-L70 WeakPolarHBondContact O-CA 3.3Å; W58-L70 WeakPolarHBondContact O-CB 3.39Å; W58-L70 PolarHBondContact O-N 3.26Å; Q60-L70 HydrophobicContact CB-CB 4.46Å; Q60-L70 HydrophobicContact CB-CD1 4.37Å; K68-L70 PolarHBondContact O-N 2.83Å; L70-A78 PolarHBondContact O-N 2.83Å; L70-V81 HydrophobicContact CD1-CB 4.48Å; L70-V81 HydrophobicContact CD1-CG1 3.54Å; L70-V81 HydrophobicContact CD1-CG2 4.05Å; L70-V81 HydrophobicContact CG-CG1 4.25Å; L70-F85 HydrophobicContact CD1-CD1 4.1Å; L70-F85 HydrophobicContact CD1-CD2 4.35Å; L70-F85 HydrophobicContact CD1-CE1 4.26Å; L70-F85 HydrophobicContact CD1-CG 4.14Å; L70-F85 HydrophobicContact CD1-CZ 4.46Å; L70-F85 HydrophobicContact CD2-CD1 3.88Å; L70-F85 HydrophobicContact CD2-CE1 4.21Å; L70-F85 HydrophobicContact CG-CD1 4.38Å; L70-L96 HydrophobicContact CD2-CD1 3.76Å; L70-L96 HydrophobicContact CD2-CD2 3.82Å; L70-L96 HydrophobicContact CD2-CG 4.47Å; L70-Y109 HydrophobicContact CD2-CD1 3.89Å; L70-Y109 HydrophobicContact CD2-CE1 3.75Å
71	I	98.8	Very high	98	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.2	179.8	-53	-171.3	0	0	0	108.6	H57 W58 T74 N76 L77 G87 L96	H57-I71 CarbonylContact C-O 3.49Å; H57-I71 VanDerWaalsContact CA-O 3.3Å; H57-I71 WeakPolarHBondContact CA-O 3.48Å; W58-I71 HydrophobicContact CB-CB 4.09Å; W58-I71 HydrophobicContact CB-CG1 4.45Å; W58-I71 PolarHBondContact N-O 3.22Å; W58-I71 PolarHBondContact O-N 3.24Å; W58-I71 VanDerWaalsContact O-N 3.14Å; I71-T74 WeakPolarHBondContact CG2-O 3.38Å; I71-N76 CarbonylContact C-O 3.56Å; I71-N76 VanDerWaalsContact CA-O 3.27Å; I71-N76 WeakPolarHBondContact CA-O 3.25Å; I71-N76 WeakPolarHBondContact CG2-O 3.19Å; I71-L77 HydrophobicContact CD1-CD2 4.15Å; I71-L77 HydrophobicContact CG1-CD2 4Å; I71-G87 VanDerWaalsContact CD1-N 3.3Å; I71-L96 HydrophobicContact CD1-CD1 3.58Å; I71-L96 HydrophobicContact CG1-CD1 4.4Å
72	Y	98.1	Very high	98	Very high	86 Å²	86	70.4 Å²	70.4	34%	0.337	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.6	173.2	69.1	-81.7	0	0	0	111.5	H57 L69 T74 S75 N76 L77	H57-Y72 VanDerWaalsContact ND1-CA 3.31Å; H57-Y72 WeakPolarHBondContact ND1-CA 3.34Å; H57-Y72 VanDerWaalsContact ND1-CB 3.3Å; H57-Y72 WeakPolarHBondContact ND1-CB 3.49Å; L69-Y72 HydrophobicContact CD2-CD1 4.49Å; Y72-T74 VanDerWaalsContact C-N 3.29Å; Y72-T74 PolarHBondContact O-N 2.87Å; Y72-S75 PolarHBondContact O-N 2.03Å; Y72-N76 HydrophobicContact CD1-CB 3.87Å; Y72-N76 WeakPolarHBondContact CD1-O 3.35Å; Y72-N76 HydrophobicContact CD2-CB 4.05Å; Y72-N76 HydrophobicContact CE1-CB 3.5Å; Y72-N76 VanDerWaalsContact CE1-CB 3.5Å; Y72-N76 HydrophobicContact CE2-CB 3.69Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.33Å; Y72-N76 HydrophobicContact CG-CB 4.12Å; Y72-N76 PolarHBondContact N-O 2.91Å; Y72-N76 WeakPolarHBondContact O-CB 3.3Å; Y72-N76 PolarHBondContact O-N 2.83Å; Y72-L77 WeakPolarHBondContact CE1-O 3.5Å
73	R	97.4	Very high	98	Very high	135 Å²	135	71.2 Å²	71.2	51%	0.509	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	49.7	-179.8	-63.9	177.2	178.8	-159.8	1.3	112	S53 N54 L56 S75	S53-R73 CarbonylContact O-C 3.52Å; S53-R73 WeakPolarHBondContact O-CA 3.27Å; N54-R73 WeakPolarHBondContact O-CG 3.38Å; L56-R73 PolarHBondContact O-N 2.78Å; L56-R73 VanDerWaalsContact O-N 3.13Å; R73-S75 PolarHBondContact O-N 2.9Å
74	T	98	Very high	98.1	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.037	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-44.9	-177.8	-61.7	0	0	0	0	116.1	S53 L56 I71 Y72 G87 G89 Y94	S53-T74 WeakPolarHBondContact CA-OG1 3.3Å; S53-T74 WeakPolarHBondContact CB-OG1 3.31Å; S53-T74 PolarHBondContact O-N 2.81Å; S53-T74 PolarHBondContact O-OG1 3.06Å; S53-T74 VanDerWaalsContact O-OG1 3.04Å; L56-T74 PolarHBondContact O-N 3.12Å; I71-T74 WeakPolarHBondContact CG2-O 3.38Å; Y72-T74 VanDerWaalsContact C-N 3.29Å; Y72-T74 PolarHBondContact O-N 2.87Å; T74-G87 CarbonylContact O-C 3.57Å; T74-G87 WeakPolarHBondContact O-CA 3.28Å; T74-G89 WeakPolarHBondContact CG2-O 3.15Å; T74-Y94 HydrophobicContact CG2-CD1 4.02Å; T74-Y94 HydrophobicContact CG2-CE1 4.26Å
75	S	98.2	Very high	98.1	Very high	67 Å²	67	64.2 Å²	64.2	47%	0.469	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-9.4	-165.3	58.5	0	0	0	0	115.5	Y72 R73 G87	Y72-S75 PolarHBondContact O-N 2.03Å; R73-S75 PolarHBondContact O-N 2.9Å; S75-G87 WeakPolarHBondContact CB-O 3Å
76	N	98.5	Very high	98.2	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.9	-176.5	-62.3	-15.5	0	0	0	110.9	I71 Y72	I71-N76 CarbonylContact C-O 3.56Å; I71-N76 VanDerWaalsContact CA-O 3.27Å; I71-N76 WeakPolarHBondContact CA-O 3.25Å; I71-N76 WeakPolarHBondContact CG2-O 3.19Å; Y72-N76 HydrophobicContact CD1-CB 3.87Å; Y72-N76 WeakPolarHBondContact CD1-O 3.35Å; Y72-N76 HydrophobicContact CD2-CB 4.05Å; Y72-N76 HydrophobicContact CE1-CB 3.5Å; Y72-N76 VanDerWaalsContact CE1-CB 3.5Å; Y72-N76 HydrophobicContact CE2-CB 3.69Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.33Å; Y72-N76 HydrophobicContact CG-CB 4.12Å; Y72-N76 PolarHBondContact N-O 2.91Å; Y72-N76 WeakPolarHBondContact O-CB 3.3Å; Y72-N76 PolarHBondContact O-N 2.83Å
77	L	98.7	Very high	98.3	Very high	61 Å²	61	57.1 Å²	57.1	32%	0.319	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.9	176.4	-65.7	169.1	0	0	0	111	I71 Y72 V81 F85	I71-L77 HydrophobicContact CD1-CD2 4.15Å; I71-L77 HydrophobicContact CG1-CD2 4Å; Y72-L77 WeakPolarHBondContact CE1-O 3.5Å; L77-V81 HydrophobicContact CB-CB 4.31Å; L77-V81 HydrophobicContact CD2-CB 4.29Å; L77-V81 HydrophobicContact CD2-CG1 3.64Å; L77-F85 HydrophobicContact CD2-CB 3.76Å; L77-F85 WeakPolarHBondContact CD2-O 3.01Å
78	A	98.5	Very high	98.3	Very high	16 Å²	16	56.7 Å²	56.7	13%	0.132	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-66.8	161.1	168.6	0	0	0	0	0	110.9	L69 L70 G80 V81	L69-A78 HydrophobicContact CB-CB 4.44Å; L69-A78 HydrophobicContact CD2-CB 4.25Å; L69-A78 HydrophobicContact CG-CB 4.09Å; L69-A78 WeakPolarHBondContact O-CB 3.35Å; L70-A78 PolarHBondContact O-N 2.83Å; A78-G80 PolarHBondContact O-N 3.32Å; A78-V81 HydrophobicContact CB-CG2 3.92Å; A78-V81 WeakPolarHBondContact O-CB 3.21Å; A78-V81 WeakPolarHBondContact O-CG2 3.34Å; A78-V81 PolarHBondContact O-N 2.96Å; A78-V81 VanDerWaalsContact O-N 3.15Å
79	S	98.1	Very high	98.2	Very high	131 Å²	131	51.8 Å²	51.8	92%	0.916	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	134.4	-179.1	-168.6	0	0	0	0	111.6	V81	S79-V81 VanDerWaalsContact C-N 3.27Å; S79-V81 PolarHBondContact O-N 2.85Å
80	G	97.6	Very high	98.2	Very high	78 Å²	78	52.3 Å²	52.3	80%	0.804	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	0	-178.6	0	0	0	0	0	115.2	A78	A78-G80 PolarHBondContact O-N 3.32Å
81	V	98.1	Very high	98.1	Very high	28 Å²	28	53.1 Å²	53.1	17%	0.17	35%	0.347	C	S	.	.			trans	-79.1	128.2	176.4	179.1	0	0	0	0	110.1	L70 L77 A78 S79 F85	L70-V81 HydrophobicContact CD1-CB 4.48Å; L70-V81 HydrophobicContact CD1-CG1 3.54Å; L70-V81 HydrophobicContact CD1-CG2 4.05Å; L70-V81 HydrophobicContact CG-CG1 4.25Å; L77-V81 HydrophobicContact CB-CB 4.31Å; L77-V81 HydrophobicContact CD2-CB 4.29Å; L77-V81 HydrophobicContact CD2-CG1 3.64Å; A78-V81 HydrophobicContact CB-CG2 3.92Å; A78-V81 WeakPolarHBondContact O-CB 3.21Å; A78-V81 WeakPolarHBondContact O-CG2 3.34Å; A78-V81 PolarHBondContact O-N 2.96Å; A78-V81 VanDerWaalsContact O-N 3.15Å; S79-V81 VanDerWaalsContact C-N 3.27Å; S79-V81 PolarHBondContact O-N 2.85Å; V81-F85 HydrophobicContact CG1-CB 3.95Å; V81-F85 HydrophobicContact CG1-CD2 3.72Å; V81-F85 HydrophobicContact CG1-CG 4.03Å
82	P	98.1	Very high	98	Very high	48 Å²	48	56.4 Å²	56.4	31%	0.312	37%	0.368	S	S	.	.			trans	-59.7	146.4	178.8	-28.1	37.1	0	0	0	114.1	R84 F85	P82-R84 HydrophobicContact CB-CG 3.72Å; P82-R84 PolarHBondContact O-N 3.25Å; P82-F85 HydrophobicContact CB-CD2 4.15Å; P82-F85 HydrophobicContact CB-CE2 4.35Å; P82-F85 HydrophobicContact CG-CD2 4.4Å; P82-F85 HydrophobicContact CG-CE2 4.24Å; P82-F85 WeakPolarHBondContact O-CD2 3.46Å; P82-F85 PolarHBondContact O-N 2.81Å
83	A	98	Very high	98	Very high	94 Å²	94	55.6 Å²	55.6	78%	0.777	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.1	179.1	0	0	0	0	0	114.4	F85	A83-F85 PolarHBondContact O-N 3.13Å
84	R	97.9	Very high	98	Very high	42 Å²	42	49.2 Å²	49.2	16%	0.158	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.2	171.2	56.8	165	-175	-86.7	2.9	112.7	P82 G99 T100 E102 E104 D105	P82-R84 HydrophobicContact CB-CG 3.72Å; P82-R84 PolarHBondContact O-N 3.25Å; R84-G99 PolarHBondContact O-N 2.9Å; R84-T100 WeakPolarHBondContact CD-O 3.34Å; R84-E102 IonicContact CZ-OE1 3.4Å; R84-E102 IonicContact CZ-OE2 3.27Å; R84-E102 VanDerWaalsContact CZ-OE2 3.27Å; R84-E102 IonicContact NE-OE1 3.75Å; R84-E102 IonicContact NH1-OE1 2.78Å; R84-E102 PolarHBondContact NH1-OE1 3.04Å; R84-E102 IonicContact NH1-OE2 2.81Å; R84-E102 PolarHBondContact NH1-OE2 3.4Å; R84-E102 IonicContact NH2-OE2 3.54Å; R84-E102 PolarHBondContact NH2-OE2 2.86Å; R84-E104 IonicContact CZ-OE1 3.45Å; R84-E104 IonicContact NH1-OE1 3.42Å; R84-E104 IonicContact NH2-OE1 3.78Å; R84-E104 PolarHBondContact NH2-OE1 3.27Å; R84-D105 IonicContact CZ-OD1 3.65Å; R84-D105 IonicContact CZ-OD2 3.58Å; R84-D105 IonicContact NE-OD1 2.75Å; R84-D105 IonicContact NE-OD2 2.94Å; R84-D105 PolarHBondContact NE-OD2 3.1Å; R84-D105 IonicContact NH2-OD1 3.63Å; R84-D105 PolarHBondContact NH2-OD1 3.02Å; R84-D105 IonicContact NH2-OD2 2.83Å; R84-D105 PolarHBondContact NH2-OD2 3.26Å
85	F	98.7	Very high	98.1	Very high	5 Å²	5	50 Å²	50	2%	0.022	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142	173.9	-66.8	-84	0	0	0	110.7	L70 L77 V81 P82 A83 L96 T97 I98 D105 Y109	L70-F85 HydrophobicContact CD1-CD1 4.1Å; L70-F85 HydrophobicContact CD1-CD2 4.35Å; L70-F85 HydrophobicContact CD1-CE1 4.26Å; L70-F85 HydrophobicContact CD1-CG 4.14Å; L70-F85 HydrophobicContact CD1-CZ 4.46Å; L70-F85 HydrophobicContact CD2-CD1 3.88Å; L70-F85 HydrophobicContact CD2-CE1 4.21Å; L70-F85 HydrophobicContact CG-CD1 4.38Å; L77-F85 HydrophobicContact CD2-CB 3.76Å; L77-F85 WeakPolarHBondContact CD2-O 3.01Å; V81-F85 HydrophobicContact CG1-CB 3.95Å; V81-F85 HydrophobicContact CG1-CD2 3.72Å; V81-F85 HydrophobicContact CG1-CG 4.03Å; P82-F85 HydrophobicContact CB-CD2 4.15Å; P82-F85 HydrophobicContact CB-CE2 4.35Å; P82-F85 HydrophobicContact CG-CD2 4.4Å; P82-F85 HydrophobicContact CG-CE2 4.24Å; P82-F85 WeakPolarHBondContact O-CD2 3.46Å; P82-F85 PolarHBondContact O-N 2.81Å; A83-F85 PolarHBondContact O-N 3.13Å; F85-L96 HydrophobicContact CD1-CD1 4.38Å; F85-T97 CarbonylContact C-O 3.59Å; F85-T97 WeakPolarHBondContact CA-O 3.13Å; F85-I98 HydrophobicContact CD1-CB 4.49Å; F85-I98 HydrophobicContact CD1-CD1 4.49Å; F85-I98 HydrophobicContact CD1-CG1 3.89Å; F85-I98 HydrophobicContact CD1-CG2 4.35Å; F85-I98 HydrophobicContact CE1-CB 4.35Å; F85-I98 HydrophobicContact CE1-CD1 3.78Å; F85-I98 HydrophobicContact CE1-CG1 3.66Å; F85-I98 HydrophobicContact CE1-CG2 3.98Å; F85-I98 HydrophobicContact CZ-CG2 4.28Å; F85-D105 HydrophobicContact CZ-CB 4.44Å; F85-D105 VanDerWaalsContact CZ-OD1 3.29Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.28Å; F85-Y109 HydrophobicContact CE1-CE1 4.06Å
86	S	98.6	Very high	98.1	Very high	53 Å²	53	46.8 Å²	46.8	37%	0.371	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	148.2	173.1	53.3	0	0	0	0	110.9	T97	S86-T97 PolarHBondContact N-O 3.46Å; S86-T97 PolarHBondContact O-N 2.77Å; S86-T97 WeakPolarHBondContact OG-CB 3.44Å
87	G	98.5	Very high	98.1	Very high	9 Å²	9	44.5 Å²	44.5	9%	0.093	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.1	176.9	0	0	0	0	0	110	I71 T74 S75 S95	I71-G87 VanDerWaalsContact CD1-N 3.3Å; T74-G87 CarbonylContact O-C 3.57Å; T74-G87 WeakPolarHBondContact O-CA 3.28Å; S75-G87 WeakPolarHBondContact CB-O 3Å; G87-S95 VanDerWaalsContact CA-O 3.32Å; G87-S95 WeakPolarHBondContact CA-O 3.38Å
88	S	98.2	Very high	98.1	Very high	56 Å²	56	41.7 Å²	41.7	39%	0.392	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.8	-178.2	55	0	0	0	0	111.2	Y94 S95	S88-Y94 CarbonylContact O-C 3.52Å; S88-Y94 VanDerWaalsContact O-CA 3.29Å; S88-Y94 WeakPolarHBondContact O-CA 3.44Å; S88-S95 PolarHBondContact N-O 2.85Å; S88-S95 PolarHBondContact O-N 2.75Å; S88-S95 PolarHBondContact OG-OG 3.45Å
89	G	97.7	Very high	98	Very high	34 Å²	34	42.4 Å²	42.4	35%	0.351	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122.5	175.4	174.9	0	0	0	0	0	114.2	T74 S93	T74-G89 WeakPolarHBondContact CG2-O 3.15Å; G89-S93 CarbonylContact C-O 3.55Å; G89-S93 WeakPolarHBondContact CA-O 3.24Å
90	S	97.2	Very high	98	Very high	82 Å²	82	39.5 Å²	39.5	57%	0.573	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-166.7	163.1	-179.3	58.8	0	0	0	0	109.9	T92 S93	S90-T92 PolarHBondContact O-N 2.92Å; S90-S93 PolarHBondContact N-O 2.81Å; S90-S93 PolarHBondContact O-N 2.82Å
91	G	96	Very high	97.9	Very high	21 Å²	21	37 Å²	37	22%	0.216	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-108.5	179.2	0	0	0	0	0	111.2	S50 I51 Y94	S50-G91 WeakPolarHBondContact CA-O 3.47Å; S50-G91 WeakPolarHBondContact OG-CA 3.06Å; I51-G91 PolarHBondContact N-O 3.04Å; G91-Y94 PolarHBondContact N-OH 2.88Å; G91-Y94 WeakPolarHBondContact O-CE2 3.32Å; G91-Y94 PolarHBondContact O-OH 2.79Å
92	T	97.3	Very high	97.9	Very high	70 Å²	70	39 Å²	39	43%	0.429	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-0.9	-175.8	54	0	0	0	0	113.9	S46 A47 S90	S46-T92 CarbonylContact C-O 3.53Å; S46-T92 VanDerWaalsContact CA-O 3.28Å; S46-T92 WeakPolarHBondContact CA-O 3.3Å; A47-T92 PolarHBondContact N-O 3.32Å; A47-T92 WeakPolarHBondContact O-CB 3.46Å; S90-T92 PolarHBondContact O-N 2.92Å
93	S	98.2	Very high	97.7	Very high	68 Å²	68	40.7 Å²	40.7	48%	0.476	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.2	-172.5	-170.5	0	0	0	0	111.5	G89 S90	G89-S93 CarbonylContact C-O 3.55Å; G89-S93 WeakPolarHBondContact CA-O 3.24Å; S90-S93 PolarHBondContact N-O 2.81Å; S90-S93 PolarHBondContact O-N 2.82Å
94	Y	98.4	Very high	97.6	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.1	-178.9	-59.5	-86.7	0	0	0	110.7	T44 C45 I51 L56 T74 S88 G91	T44-Y94 CarbonylContact C-O 3.46Å; T44-Y94 WeakPolarHBondContact CA-O 3.32Å; C45-Y94 PolarHBondContact N-O 3.02Å; C45-Y94 PolarHBondContact O-N 2.96Å; I51-Y94 HydrophobicContact CB-CE2 4.25Å; I51-Y94 WeakPolarHBondContact CB-OH 3.17Å; I51-Y94 HydrophobicContact CD1-CE2 4.18Å; I51-Y94 PolarHBondContact O-OH 2.83Å; L56-Y94 HydrophobicContact CB-CD1 4.11Å; L56-Y94 HydrophobicContact CB-CE1 3.91Å; L56-Y94 HydrophobicContact CD1-CD1 3.99Å; L56-Y94 HydrophobicContact CD1-CG 4.08Å; L56-Y94 HydrophobicContact CD2-CD2 4.45Å; L56-Y94 HydrophobicContact CD2-CG 4.48Å; L56-Y94 HydrophobicContact CG-CD1 3.68Å; L56-Y94 HydrophobicContact CG-CD2 4.02Å; L56-Y94 HydrophobicContact CG-CE1 3.97Å; L56-Y94 HydrophobicContact CG-CE2 4.3Å; L56-Y94 HydrophobicContact CG-CG 3.69Å; T74-Y94 HydrophobicContact CG2-CD1 4.02Å; T74-Y94 HydrophobicContact CG2-CE1 4.26Å; S88-Y94 CarbonylContact O-C 3.52Å; S88-Y94 VanDerWaalsContact O-CA 3.29Å; S88-Y94 WeakPolarHBondContact O-CA 3.44Å; G91-Y94 PolarHBondContact N-OH 2.88Å; G91-Y94 WeakPolarHBondContact O-CE2 3.32Å; G91-Y94 PolarHBondContact O-OH 2.79Å
95	S	98.5	Very high	97.5	Very high	22 Å²	22	38.4 Å²	38.4	15%	0.154	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.1	174.6	55.6	0	0	0	0	112.1	I43 G87 S88	I43-S95 CarbonylContact O-C 3.58Å; I43-S95 WeakPolarHBondContact O-CA 3.35Å; I43-S95 WeakPolarHBondContact O-CB 3.19Å; G87-S95 VanDerWaalsContact CA-O 3.32Å; G87-S95 WeakPolarHBondContact CA-O 3.38Å; S88-S95 PolarHBondContact N-O 2.85Å; S88-S95 PolarHBondContact O-N 2.75Å; S88-S95 PolarHBondContact OG-OG 3.45Å
96	L	98.7	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.8	164.3	171.8	64.2	0	0	0	107.9	T42 I43 W58 L70 I71 F85 Y109	T42-L96 CarbonylContact C-O 3.18Å; T42-L96 WeakPolarHBondContact CA-O 3.45Å; I43-L96 HydrophobicContact CB-CB 4.45Å; I43-L96 HydrophobicContact CD1-CD2 4.38Å; I43-L96 PolarHBondContact N-O 2.87Å; I43-L96 PolarHBondContact O-N 3.2Å; W58-L96 HydrophobicContact CD2-CB 3.65Å; W58-L96 HydrophobicContact CD2-CD2 4.15Å; W58-L96 HydrophobicContact CD2-CG 4.38Å; W58-L96 HydrophobicContact CE3-CB 3.83Å; W58-L96 HydrophobicContact CE3-CD2 3.83Å; W58-L96 HydrophobicContact CE3-CG 4.44Å; W58-L96 HydrophobicContact CG-CB 4.23Å; W58-L96 HydrophobicContact CG-CD1 4.48Å; W58-L96 HydrophobicContact CH2-CB 3.88Å; W58-L96 HydrophobicContact CZ2-CB 3.71Å; W58-L96 HydrophobicContact CZ3-CB 3.95Å; W58-L96 HydrophobicContact CZ3-CD2 4.29Å; L70-L96 HydrophobicContact CD2-CD1 3.76Å; L70-L96 HydrophobicContact CD2-CD2 3.82Å; L70-L96 HydrophobicContact CD2-CG 4.47Å; I71-L96 HydrophobicContact CD1-CD1 3.58Å; I71-L96 HydrophobicContact CG1-CD1 4.4Å; F85-L96 HydrophobicContact CD1-CD1 4.38Å; L96-Y109 HydrophobicContact CD2-CD1 3.4Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.4Å; L96-Y109 HydrophobicContact CD2-CE1 3.99Å; L96-Y109 HydrophobicContact CD2-CG 3.9Å
97	T	98.6	Very high	97.3	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.098	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.5	174.7	-63.4	0	0	0	0	109.8	K40 I41 F85 S86	K40-T97 HydrophobicContact CD-CG2 4.37Å; K40-T97 HydrophobicContact CG-CG2 4.18Å; I41-T97 CarbonylContact O-C 3.48Å; I41-T97 VanDerWaalsContact O-CA 3.25Å; I41-T97 WeakPolarHBondContact O-CA 3.3Å; F85-T97 CarbonylContact C-O 3.59Å; F85-T97 WeakPolarHBondContact CA-O 3.13Å; S86-T97 PolarHBondContact N-O 3.46Å; S86-T97 PolarHBondContact O-N 2.77Å; S86-T97 WeakPolarHBondContact OG-CB 3.44Å
98	I	98.3	Very high	97.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.4	166.6	-43.5	179.5	0	0	0	105.8	K40 I41 F85 M101 Y109	K40-I98 CarbonylContact C-O 3.53Å; K40-I98 WeakPolarHBondContact CA-O 3.29Å; I41-I98 HydrophobicContact CB-CB 4.19Å; I41-I98 HydrophobicContact CB-CD1 4.41Å; I41-I98 HydrophobicContact CB-CG1 4.35Å; I41-I98 HydrophobicContact CG2-CD1 4.44Å; I41-I98 PolarHBondContact N-O 3.36Å; I41-I98 PolarHBondContact O-N 3.02Å; F85-I98 HydrophobicContact CD1-CB 4.49Å; F85-I98 HydrophobicContact CD1-CD1 4.49Å; F85-I98 HydrophobicContact CD1-CG1 3.89Å; F85-I98 HydrophobicContact CD1-CG2 4.35Å; F85-I98 HydrophobicContact CE1-CB 4.35Å; F85-I98 HydrophobicContact CE1-CD1 3.78Å; F85-I98 HydrophobicContact CE1-CG1 3.66Å; F85-I98 HydrophobicContact CE1-CG2 3.98Å; F85-I98 HydrophobicContact CZ-CG2 4.28Å; I98-M101 HydrophobicContact CD1-CE 4.47Å; I98-M101 HydrophobicContact CD1-SD 3.89Å; I98-M101 HydrophobicContact CG2-SD 4.2Å; I98-Y109 HydrophobicContact CD1-CE1 4.44Å; I98-Y109 HydrophobicContact CD1-CE2 4.12Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.4Å
99	G	97.9	Very high	97.3	Very high	31 Å²	31	42.9 Å²	42.9	32%	0.32	28%	0.283	S	S	.	.	S	Bend	trans	-65.7	-43.5	-173.6	0	0	0	0	0	113.1	R84	R84-G99 PolarHBondContact O-N 2.9Å
100	T	97.4	Very high	97.3	Very high	71 Å²	71	45.4 Å²	45.4	44%	0.436	28%	0.283	S	S	.	.	S	Bend	trans	-133.9	106.3	179.5	-51.9	0	0	0	0	107.7	R84 E102	R84-T100 WeakPolarHBondContact CD-O 3.34Å; T100-E102 PolarHBondContact O-N 3.41Å
101	M	96.2	Very high	97.3	Very high	25 Å²	25	42.2 Å²	42.2	12%	0.123	26%	0.26	C	S	.	.			trans	-65.9	132.5	-180	-168.5	64.9	152.7	0	0	111.1	A35 P37 G38 E39 I41 I98 D105	A35-M101 HydrophobicContact CB-CG 4.34Å; P37-M101 CarbonylContact C-O 3.54Å; P37-M101 VanDerWaalsContact CA-O 3.28Å; P37-M101 WeakPolarHBondContact CA-O 3.37Å; G38-M101 PolarHBondContact N-O 3.5Å; E39-M101 VanDerWaalsContact O-CB 3.3Å; E39-M101 WeakPolarHBondContact O-CB 3.38Å; E39-M101 PolarHBondContact O-N 3.09Å; I41-M101 HydrophobicContact CD1-CB 4.31Å; I41-M101 HydrophobicContact CD1-CE 3.21Å; I41-M101 HydrophobicContact CD1-CG 3.89Å; I41-M101 HydrophobicContact CD1-SD 3.36Å; I41-M101 WeakPolarHBondContact CD1-SD 3.38Å; I41-M101 HydrophobicContact CG1-SD 4.36Å; I98-M101 HydrophobicContact CD1-CE 4.47Å; I98-M101 HydrophobicContact CD1-SD 3.89Å; I98-M101 HydrophobicContact CG2-SD 4.2Å; M101-D105 HydrophobicContact CE-CB 4.1Å; M101-D105 HydrophobicContact SD-CB 3.54Å; M101-D105 VanDerWaalsContact SD-CB 3.54Å
102	E	97	Very high	97.3	Very high	71 Å²	71	44.6 Å²	44.6	33%	0.332	27%	0.266	S	S	.	.			trans	-119.3	163.2	173.6	-67.5	171.7	-147.4	0	0	111	R84 T100 E104 D105	R84-E102 IonicContact CZ-OE1 3.4Å; R84-E102 IonicContact CZ-OE2 3.27Å; R84-E102 VanDerWaalsContact CZ-OE2 3.27Å; R84-E102 IonicContact NE-OE1 3.75Å; R84-E102 IonicContact NH1-OE1 2.78Å; R84-E102 PolarHBondContact NH1-OE1 3.04Å; R84-E102 IonicContact NH1-OE2 2.81Å; R84-E102 PolarHBondContact NH1-OE2 3.4Å; R84-E102 IonicContact NH2-OE2 3.54Å; R84-E102 PolarHBondContact NH2-OE2 2.86Å; T100-E102 PolarHBondContact O-N 3.41Å; E102-E104 VanDerWaalsContact CB-OE2 3.3Å; E102-E104 WeakPolarHBondContact CB-OE2 3.29Å; E102-E104 PolarHBondContact O-N 2.91Å; E102-D105 PolarHBondContact N-OD2 3.45Å; E102-D105 WeakPolarHBondContact O-CB 3.38Å; E102-D105 PolarHBondContact O-N 3.23Å
103	A	94.5	Very high	97.2	Very high	82 Å²	82	42.2 Å²	42.2	68%	0.678	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-62.7	-31	-174.6	0	0	0	0	0	112.5	D105 V106	A103-D105 PolarHBondContact O-N 2.86Å; A103-V106 WeakPolarHBondContact O-CG2 3.42Å
104	E	94.9	Very high	96.7	Very high	85 Å²	85	40.6 Å²	40.6	40%	0.397	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-77.1	-5.7	177.6	75	-86.6	-161.9	0	0	114.6	K62 R84 E102 V106	K62-E104 WeakPolarHBondContact CE-O 3.35Å; K62-E104 PolarHBondContact NZ-O 2.81Å; R84-E104 IonicContact CZ-OE1 3.45Å; R84-E104 IonicContact NH1-OE1 3.42Å; R84-E104 IonicContact NH2-OE1 3.78Å; R84-E104 PolarHBondContact NH2-OE1 3.27Å; E102-E104 VanDerWaalsContact CB-OE2 3.3Å; E102-E104 WeakPolarHBondContact CB-OE2 3.29Å; E102-E104 PolarHBondContact O-N 2.91Å; E104-V106 VanDerWaalsContact C-N 3.27Å
105	D	96.6	Very high	95.9	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-85	-2.6	178.5	-61.3	-25.6	0	0	0	112.1	R84 F85 M101 E102 A103 A107 Y109	R84-D105 IonicContact CZ-OD1 3.65Å; R84-D105 IonicContact CZ-OD2 3.58Å; R84-D105 IonicContact NE-OD1 2.75Å; R84-D105 IonicContact NE-OD2 2.94Å; R84-D105 PolarHBondContact NE-OD2 3.1Å; R84-D105 IonicContact NH2-OD1 3.63Å; R84-D105 PolarHBondContact NH2-OD1 3.02Å; R84-D105 IonicContact NH2-OD2 2.83Å; R84-D105 PolarHBondContact NH2-OD2 3.26Å; F85-D105 HydrophobicContact CZ-CB 4.44Å; F85-D105 VanDerWaalsContact CZ-OD1 3.29Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.28Å; M101-D105 HydrophobicContact CE-CB 4.1Å; M101-D105 HydrophobicContact SD-CB 3.54Å; M101-D105 VanDerWaalsContact SD-CB 3.54Å; E102-D105 PolarHBondContact N-OD2 3.45Å; E102-D105 WeakPolarHBondContact O-CB 3.38Å; E102-D105 PolarHBondContact O-N 3.23Å; A103-D105 PolarHBondContact O-N 2.86Å; D105-A107 PolarHBondContact O-N 3.37Å; D105-Y109 PolarHBondContact O-OH 3.37Å
106	V	96	Very high	94.7	Very high	101 Å²	101	43.5 Å²	43.5	61%	0.612	26%	0.264	S	S	*	.			trans	-64.4	101.5	171.6	-179.6	0	0	0	0	109.7	A103 E104	A103-V106 WeakPolarHBondContact O-CG2 3.42Å; E104-V106 VanDerWaalsContact C-N 3.27Å
107	A	97.5	Very high	93.1	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	30%	0.301	C	S	.	.	S	Bend	trans	-160.1	167.1	-174.3	0	0	0	0	0	110.9	Q60 Q61 K62 D105 Y109	Q60-A107 HydrophobicContact CG-CB 3.4Å; Q60-A107 VanDerWaalsContact CG-CB 3.4Å; Q61-A107 WeakPolarHBondContact O-CA 3.38Å; Q61-A107 WeakPolarHBondContact O-CB 3.43Å; K62-A107 HydrophobicContact CG-CB 4.25Å; D105-A107 PolarHBondContact O-N 3.37Å; A107-Y109 HydrophobicContact CB-CE2 4.08Å
108	T	98.1	Very high	91.3	Very high	73 Å²	73	53.4 Å²	53.4	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136	164.3	-47.5	0	0	0	0	109.4	Q61 Y110	Q61-T108 PolarHBondContact N-O 3.26Å; Q61-T108 PolarHBondContact O-N 3.23Å; T108-Y110 HydrophobicContact CG2-CD1 4.45Å; T108-Y110 HydrophobicContact CG2-CE1 3.66Å; T108-Y110 HydrophobicContact CG2-CE2 3.86Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.47Å
109	Y	98.4	Very high	89.3	Confident	17 Å²	17	67.9 Å²	67.9	7%	0.067	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.1	-179.5	-66	-90.3	0	0	0	110.8	Q28 I43 Y59 Q60 L70 F85 L96 I98 D105 A107	Q28-Y109 PolarHBondContact NE2-O 3.17Å; I43-Y109 HydrophobicContact CD1-CD2 3.85Å; I43-Y109 HydrophobicContact CD1-CG 3.96Å; Y59-Y109 WeakPolarHBondContact O-CA 3.44Å; Q60-Y109 HydrophobicContact CB-CD1 4.16Å; Q60-Y109 HydrophobicContact CB-CE1 3.95Å; Q60-Y109 HydrophobicContact CG-CD1 4.24Å; Q60-Y109 HydrophobicContact CG-CE1 3.71Å; Q60-Y109 PolarHBondContact NE2-OH 2.78Å; L70-Y109 HydrophobicContact CD2-CD1 3.89Å; L70-Y109 HydrophobicContact CD2-CE1 3.75Å; F85-Y109 HydrophobicContact CE1-CE1 4.06Å; L96-Y109 HydrophobicContact CD2-CD1 3.4Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.4Å; L96-Y109 HydrophobicContact CD2-CE1 3.99Å; L96-Y109 HydrophobicContact CD2-CG 3.9Å; I98-Y109 HydrophobicContact CD1-CE1 4.44Å; I98-Y109 HydrophobicContact CD1-CE2 4.12Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.4Å; D105-Y109 PolarHBondContact O-OH 3.37Å; A107-Y109 HydrophobicContact CB-CE2 4.08Å
110	Y	98.1	Very high	88.8	Confident	88 Å²	88	69.8 Å²	69.8	35%	0.345	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.3	-177.7	-51.8	-80.9	0	0	0	111	W58 Y59 Q61 T108	W58-Y110 CarbonylContact C-O 3.52Å; W58-Y110 VanDerWaalsContact CA-O 3.3Å; W58-Y110 WeakPolarHBondContact CA-O 3.15Å; Y59-Y110 PolarHBondContact N-O 3.16Å; Y59-Y110 PolarHBondContact O-N 2.84Å; Q61-Y110 HydrophobicContact CB-CD2 4.46Å; Q61-Y110 HydrophobicContact CB-CE2 3.71Å; Q61-Y110 VanDerWaalsContact OE1-CE2 3.25Å; Q61-Y110 PolarHBondContact OE1-OH 2.98Å; T108-Y110 HydrophobicContact CG2-CD1 4.45Å; T108-Y110 HydrophobicContact CG2-CE1 3.66Å; T108-Y110 HydrophobicContact CG2-CE2 3.86Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.47Å
111	C	97.5	Very high	88.4	Confident	14 Å²	14	69.7 Å²	69.7	10%	0.095	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143.1	162.8	66.2	0	0	0	0	109.9	L26 Q28 C45 L56 H57 W58	L26-C111 HydrophobicContact CD1-CB 4.5Å; L26-C111 WeakPolarHBondContact CD1-O 3.34Å; Q28-C111 PolarHBondContact OE1-SG 2.76Å; C45-C111 HydrophobicContact CB-CB 3.54Å; C45-C111 WeakPolarHBondContact CB-SG 3.48Å; C45-C111 WeakPolarHBondContact SG-CB 3.28Å; C45-C111 CovalentContact SG-SG 2.03Å; C45-C111 PolarHBondContact SG-SG 3Å; L56-C111 HydrophobicContact CD2-CB 4.12Å; H57-C111 CarbonylContact O-C 3.01Å; H57-C111 VanDerWaalsContact O-CA 3.28Å; H57-C111 WeakPolarHBondContact O-CA 3.38Å; W58-C111 HydrophobicContact CD2-CB 4.08Å; W58-C111 HydrophobicContact CE3-CB 3.91Å; W58-C111 HydrophobicContact CH2-CB 3.88Å; W58-C111 HydrophobicContact CZ2-CB 4.02Å; W58-C111 HydrophobicContact CZ3-CB 3.81Å
112	Q	96.1	Very high	87.9	Confident	71 Å²	71	72.2 Å²	72.2	33%	0.332	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	137	179.5	176.5	-96.1	-51.3	0	0	109.5	L56 H57 Y59	L56-Q112 WeakPolarHBondContact CD2-O 3.29Å; H57-Q112 PolarHBondContact N-O 3.04Å; H57-Q112 PolarHBondContact O-N 3.06Å; Y59-Q112 HydrophobicContact CD2-CB 4.23Å; Y59-Q112 HydrophobicContact CE2-CB 3.87Å; Y59-Q112 HydrophobicContact CE2-CG 4.41Å; Y59-Q112 PolarHBondContact OH-OE1 3.14Å
113	Q	93.7	Very high	87.4	Confident	20 Å²	20	72.2 Å²	72.2	9%	0.093	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.7	175.7	71	76.6	26.1	0	0	110.2	I24 L26 I51 Y55 S116	I24-Q113 HydrophobicContact CB-CG 4Å; I24-Q113 HydrophobicContact CG2-CG 4.08Å; L26-Q113 HydrophobicContact CD1-CB 4.17Å; L26-Q113 HydrophobicContact CD1-CG 4.21Å; L26-Q113 HydrophobicContact CD2-CB 4.46Å; L26-Q113 HydrophobicContact CD2-CG 4.46Å; L26-Q113 HydrophobicContact CG-CG 4.4Å; I51-Q113 HydrophobicContact CD1-CB 3.55Å; I51-Q113 HydrophobicContact CD1-CG 4.22Å; I51-Q113 HydrophobicContact CG1-CB 4.15Å; I51-Q113 HydrophobicContact CG2-CB 4.36Å; Y55-Q113 CarbonylContact O-C 3.55Å; Y55-Q113 VanDerWaalsContact O-CA 3.24Å; Y55-Q113 WeakPolarHBondContact O-CA 3.41Å; Q113-S116 PolarHBondContact NE2-O 3.32Å; Q113-S116 PolarHBondContact NE2-OG 3.07Å; Q113-S116 VanDerWaalsContact NE2-OG 3.12Å; Q113-S116 PolarHBondContact OE1-OG 3.12Å
114	G	88.6	Confident	87	Confident	35 Å²	35	71.6 Å²	71.6	36%	0.361	37%	0.373	S	S	.	.			trans	-107	11.7	175.8	0	0	0	0	0	114	Y55	Y55-G114 WeakPolarHBondContact CD1-O 3.42Å; Y55-G114 PolarHBondContact O-N 3.02Å
115	S	80.6	Confident	86.4	Confident	54 Å²	54	70.7 Å²	70.7	38%	0.378	37%	0.372	S	S	.	.	S	Bend	trans	-79.1	-24.3	-175.3	-170.8	0	0	0	0	112.7
116	S	73.8	Confident	85.7	Confident	29 Å²	29	75.6 Å²	75.6	20%	0.203	40%	0.397	C	S	.	.			trans	-141.5	140.2	176.2	61.7	0	0	0	0	109.3	I24 Q113	I24-S116 WeakPolarHBondContact CG1-OG 3.46Å; Q113-S116 PolarHBondContact NE2-O 3.32Å; Q113-S116 PolarHBondContact NE2-OG 3.07Å; Q113-S116 VanDerWaalsContact NE2-OG 3.12Å; Q113-S116 PolarHBondContact OE1-OG 3.12Å
117	I	66	Low	84.9	Confident	148 Å²	148	73.6 Å²	73.6	76%	0.759	38%	0.38	S	S	*	.			trans	-94.1	126.3	169	-58	171	0	0	0	105.9	R119	I117-R119 PolarHBondContact O-N 3.36Å
118	P	59.5	Low	83.9	Confident	77 Å²	77	77.6 Å²	77.6	50%	0.5	39%	0.394	S	S	.	.			trans	-54.2	124.7	168.9	-22	32.8	0	0	0	108.9
119	R	56.1	Low	82.6	Confident	305 Å²	305	78 Å²	78	100%	1.151	39%	0.389	S	S	*	.			trans	-76.4	0	-177.8	-79.9	-74.9	179.4	162.5	-1.1	111.7	I117	I117-R119 PolarHBondContact O-N 3.36Å

Retrieved 119 of 119 residues in 58.3 ms (Link to these results)

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