A0A075B5T7_MOUSE Loading...

Immunoglobulin heavy variable V1-7

AlphaFold DB , UniProt , Accession A0A075B5T7, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-7, Length 117 aa.

						>A0A075B5T7_MOUSE|A0A075B5T7|Ighv1-7
MERHWIFLSLLSVIAGVHSQVQLQQSGAELAKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSSGYTKYNQKFKDKATLTADKSSSTAYMQLSSLTYEDSAVYYCAR
					

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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	48.9	Very low	59.1	Low	237 Å²	237	175.2 Å²	175.2	100%	1.167	84%	0.843	S	S	*	*				0	101.1	0	-74.4	176.8	-57.3	0	0	106.3
2	E	52.2	Low	59.8	Low	194 Å²	194	169.3 Å²	169.3	91%	0.907	83%	0.833	S	S	*	*			trans	-165	127.8	151.8	-77	-133.2	159.1	0	0	106.2
3	R	56.3	Low	60.6	Low	204 Å²	204	166.6 Å²	166.6	77%	0.77	83%	0.832	S	S	*	*			trans	-102.9	113.4	-157.9	178.9	168.4	147.7	-107.4	-0.8	109.1	W5	R3-W5 VanDerWaalsContact O-CD1 3.24Å; R3-W5 PolarHBondContact O-N 3.07Å
4	H	56.2	Low	61.3	Low	180 Å²	180	166.4 Å²	166.4	83%	0.833	83%	0.832	S	S	*	*			trans	-62.4	124	173.1	-69.5	-82.5	0	0	0	110.9	I6	H4-I6 PolarHBondContact O-N 3.4Å
5	W	59.9	Low	61.9	Low	183 Å²	183	160.9 Å²	160.9	69%	0.693	82%	0.823	S	S	*	*			trans	-87.4	100.9	174.8	-72.9	60.4	0	0	0	109.3	R3 F7	R3-W5 VanDerWaalsContact O-CD1 3.24Å; R3-W5 PolarHBondContact O-N 3.07Å; W5-F7 HydrophobicContact CB-CD2 4.38Å; W5-F7 HydrophobicContact CB-CE2 3.93Å; W5-F7 HydrophobicContact CB-CZ 4.39Å; W5-F7 HydrophobicContact CE3-CE1 4.39Å; W5-F7 HydrophobicContact CE3-CZ 4.04Å; W5-F7 PolarHBondContact O-N 2.77Å
6	I	67	Low	62.2	Low	143 Å²	143	154.5 Å²	154.5	73%	0.733	81%	0.81	S	S	*	*			trans	-75.8	105.4	168.2	-61.6	171.4	0	0	0	107.2	H4 L8	H4-I6 PolarHBondContact O-N 3.4Å; I6-L8 HydrophobicContact CG2-CD1 4.42Å; I6-L8 HydrophobicContact CG2-CG 4.05Å; I6-L8 PolarHBondContact O-N 3.46Å
7	F	62.9	Low	62.5	Low	176 Å²	176	153.9 Å²	153.9	77%	0.772	81%	0.814	S	S	*	*			trans	-81.9	99.6	168.1	-70.6	-81.8	0	0	0	108.9	W5	W5-F7 HydrophobicContact CB-CD2 4.38Å; W5-F7 HydrophobicContact CB-CE2 3.93Å; W5-F7 HydrophobicContact CB-CZ 4.39Å; W5-F7 HydrophobicContact CE3-CE1 4.39Å; W5-F7 HydrophobicContact CE3-CZ 4.04Å; W5-F7 PolarHBondContact O-N 2.77Å
8	L	59.9	Low	62.9	Low	155 Å²	155	155.2 Å²	155.2	81%	0.812	81%	0.814	S	S	*	*			trans	-84.2	107.3	166.9	-81	158.4	0	0	0	108.6	I6	I6-L8 HydrophobicContact CG2-CD1 4.42Å; I6-L8 HydrophobicContact CG2-CG 4.05Å; I6-L8 PolarHBondContact O-N 3.46Å
9	S	59.2	Low	63.7	Low	116 Å²	116	151.6 Å²	151.6	81%	0.811	80%	0.803	S	S	*	*			trans	-86.2	112.1	169.5	37.1	0	0	0	0	110.1
10	L	63.9	Low	65.1	Low	170 Å²	170	151.2 Å²	151.2	89%	0.89	80%	0.797	S	S	*	*			trans	-83.5	111.9	170	-90.6	150.2	0	0	0	109.3	S12	L10-S12 PolarHBondContact O-N 3.26Å
11	L	63.8	Low	66.5	Low	169 Å²	169	146.5 Å²	146.5	89%	0.885	77%	0.774	S	S	*	*			trans	-79.5	102.2	168.4	-79.9	160.4	0	0	0	109.1
12	S	67.2	Low	68.8	Low	104 Å²	104	140.2 Å²	140.2	73%	0.727	74%	0.742	S	S	*	*			trans	-83.5	111	169.4	56.7	0	0	0	0	110	L10 I14	L10-S12 PolarHBondContact O-N 3.26Å; S12-I14 PolarHBondContact O-N 3.39Å
13	V	71.1	Confident	71	Confident	135 Å²	135	133.6 Å²	133.6	82%	0.818	71%	0.712	S	S	*	*			trans	-79.6	105.9	167.5	-179.8	0	0	0	0	108	A15	V13-A15 PolarHBondContact O-N 2.93Å; V13-A15 VanDerWaalsContact O-N 3.11Å
14	I	70.5	Confident	73	Confident	163 Å²	163	130.4 Å²	130.4	84%	0.836	71%	0.706	S	S	*	*			trans	-77.3	91.7	170.3	7.9	177.4	0	0	0	108	S12 G16	S12-I14 PolarHBondContact O-N 3.39Å; I14-G16 PolarHBondContact O-N 3.04Å
15	A	70.2	Confident	75	Confident	84 Å²	84	124.3 Å²	124.3	69%	0.694	68%	0.678	S	S	*	*			trans	-72.9	104.4	166.1	0	0	0	0	0	108.1	V13 V17	V13-A15 PolarHBondContact O-N 2.93Å; V13-A15 VanDerWaalsContact O-N 3.11Å; A15-V17 PolarHBondContact O-N 2.78Å
16	G	65.9	Low	76.7	Confident	59 Å²	59	117.4 Å²	117.4	61%	0.608	66%	0.657	S	S	*	*			trans	-62.3	115.8	172.7	0	0	0	0	0	110.2	I14 H18	I14-G16 PolarHBondContact O-N 3.04Å; G16-H18 PolarHBondContact O-N 3.39Å; G16-H18 PolarHBondContact O-ND1 3.47Å
17	V	68.4	Low	78.1	Confident	145 Å²	145	113.4 Å²	113.4	88%	0.879	65%	0.651	S	S	*	*			trans	-72.1	96.9	177.8	-176.4	0	0	0	0	108.8	A15	A15-V17 PolarHBondContact O-N 2.78Å
18	H	68.4	Low	79.7	Confident	176 Å²	176	110 Å²	110	82%	0.815	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-80.8	123.1	165.9	-71.6	70.1	0	0	0	108	G16 Q20	G16-H18 PolarHBondContact O-N 3.39Å; G16-H18 PolarHBondContact O-ND1 3.47Å; H18-Q20 PolarHBondContact O-N 2.99Å
19	S	78.8	Confident	81.3	Confident	88 Å²	88	108 Å²	108	62%	0.615	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-77.1	117.3	175.3	-155.1	0	0	0	0	109.5	G45	S19-G45 WeakPolarHBondContact OG-CA 3.16Å
20	Q	92	Very high	83.1	Confident	143 Å²	143	110.8 Å²	110.8	67%	0.668	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-74.2	132.1	173.4	-171.6	-176.4	29.5	0	0	109.3	H18 Q22	H18-Q20 PolarHBondContact O-N 2.99Å; Q20-Q22 HydrophobicContact CG-CG 4.5Å
21	V	94.3	Very high	84.6	Confident	53 Å²	53	105 Å²	105	32%	0.321	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-73.6	128.5	175.4	171.3	0	0	0	0	108.9	Y46 R117	V21-Y46 HydrophobicContact CG1-CD1 3.9Å; V21-Y46 HydrophobicContact CG1-CE1 4.08Å; V21-Y46 HydrophobicContact CG2-CD1 4.34Å; V21-R117 VanDerWaalsContact CG1-CZ 3.41Å; V21-R117 VanDerWaalsContact CG2-NH1 3.26Å
22	Q	97	Very high	86.1	Confident	105 Å²	105	105.3 Å²	105.3	49%	0.491	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.1	141.2	178.8	-61	179.2	-23.5	0	0	110.5	Q20 A43 S44	Q20-Q22 HydrophobicContact CG-CG 4.5Å; Q22-A43 WeakPolarHBondContact O-CA 3.4Å; Q22-S44 PolarHBondContact N-O 3.13Å; Q22-S44 PolarHBondContact O-N 2.75Å
23	L	98	Very high	87.5	Confident	54 Å²	54	105.5 Å²	105.5	28%	0.283	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.5	110.7	173.1	-63.4	-176.6	0	0	0	107.9	K42 A43 Y46 M53	L23-K42 WeakPolarHBondContact CA-O 3.4Å; L23-A43 HydrophobicContact CD2-CB 3.85Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; L23-M53 HydrophobicContact CD1-CE 4.47Å; L23-M53 HydrophobicContact CD1-SD 4.3Å; L23-M53 HydrophobicContact CD2-CE 3.71Å
24	Q	98.1	Very high	88.8	Confident	137 Å²	137	101.7 Å²	101.7	64%	0.64	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.5	115.8	-179.2	-178.7	60.2	56.7	0	0	109.9	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.35Å; Q24-K42 PolarHBondContact N-O 3.2Å; Q24-K42 PolarHBondContact O-N 2.74Å
25	Q	98.4	Very high	90.1	Very high	53 Å²	53	95.7 Å²	95.7	25%	0.248	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	157.1	177.5	-71.8	-175.1	-124.5	0	0	112.8	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.57Å; Q25-S40 VanDerWaalsContact CA-O 3.23Å; Q25-S40 WeakPolarHBondContact CA-O 3.4Å; Q25-C41 HydrophobicContact CG-CB 4.19Å; Q25-Y113 PolarHBondContact NE2-O 3.23Å; Q25-C115 WeakPolarHBondContact CG-SG 3.29Å
26	S	95.5	Very high	91.4	Very high	37 Å²	37	94.9 Å²	94.9	26%	0.259	57%	0.569	S	S	.	*			trans	-60.7	159	164.4	49.6	0	0	0	0	110.9	S40	S26-S40 WeakPolarHBondContact CB-OG 3.12Å; S26-S40 PolarHBondContact N-O 3.23Å; S26-S40 PolarHBondContact OG-N 3.02Å; S26-S40 VanDerWaalsContact OG-N 3.08Å
27	G	96	Very high	92.9	Very high	59 Å²	59	93.1 Å²	93.1	61%	0.608	55%	0.547	S	S	*	.			trans	-66.3	-177.4	178.9	0	0	0	0	0	113.8
28	A	96.3	Very high	94.3	Very high	106 Å²	106	91.4 Å²	91.4	88%	0.876	53%	0.527	S	S	*	.			trans	-65.8	137	175.4	0	0	0	0	0	111
29	E	95.1	Very high	95.7	Very high	111 Å²	111	83.7 Å²	83.7	52%	0.519	49%	0.492	S	S	.	.			trans	-111.7	133.7	178.1	-66.9	-66.1	166.3	0	0	109.7	V37 L39	E29-V37 HydrophobicContact CB-CG1 4.26Å; E29-L39 HydrophobicContact CG-CD2 4.02Å
30	L	95.3	Very high	96.7	Very high	175 Å²	175	81 Å²	81	92%	0.916	47%	0.473	S	S	*	.			trans	-107.1	120.5	171.4	-68.2	175.2	0	0	0	108.8
31	A	95.6	Very high	97	Very high	50 Å²	50	74.2 Å²	74.2	41%	0.413	44%	0.441	S	S	.	.			trans	-133.4	145.8	-177.1	0	0	0	0	0	111.5	A35 V37 L105	A31-A35 HydrophobicContact CB-CB 4.3Å; A31-V37 HydrophobicContact CB-CG1 3.51Å; A31-L105 HydrophobicContact CB-CD1 3.61Å
32	K	96.4	Very high	97.2	Very high	175 Å²	175	77.3 Å²	77.3	76%	0.761	45%	0.451	S	S	*	.			trans	-77.7	153	172.8	-64.1	-179	-178.3	178.8	0	110	G34 A35	K32-G34 PolarHBondContact O-N 3Å; K32-A35 WeakPolarHBondContact O-CB 3.35Å; K32-A35 PolarHBondContact O-N 2.88Å
33	P	96.8	Very high	97.2	Very high	108 Å²	108	72.5 Å²	72.5	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	139.8	168.1	-25.6	34.9	0	0	0	111.6	A35 L105	P33-A35 VanDerWaalsContact C-N 3.26Å; P33-A35 PolarHBondContact O-N 2.54Å; P33-L105 CarbonylContact C-O 3.43Å; P33-L105 VanDerWaalsContact CA-O 3.29Å; P33-L105 WeakPolarHBondContact CA-O 3.43Å
34	G	97.4	Very high	97.2	Very high	54 Å²	54	72.4 Å²	72.4	56%	0.557	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-17.4	-174.7	0	0	0	0	0	114.9	K32 L105	K32-G34 PolarHBondContact O-N 3Å; G34-L105 PolarHBondContact N-O 2.83Å
35	A	98	Very high	97.1	Very high	37 Å²	37	67 Å²	67	31%	0.306	41%	0.414	S	S	.	.			trans	-70.8	172.5	176	0	0	0	0	0	112.1	A31 K32 P33 S104 L105	A31-A35 HydrophobicContact CB-CB 4.3Å; K32-A35 WeakPolarHBondContact O-CB 3.35Å; K32-A35 PolarHBondContact O-N 2.88Å; P33-A35 VanDerWaalsContact C-N 3.26Å; P33-A35 PolarHBondContact O-N 2.54Å; A35-S104 PolarHBondContact O-N 2.92Å; A35-L105 WeakPolarHBondContact O-CG 3.39Å; A35-L105 PolarHBondContact O-N 2.88Å
36	S	97.6	Very high	96.9	Very high	67 Å²	67	66.4 Å²	66.4	47%	0.469	41%	0.41	S	S	.	.			trans	-120.2	147.4	171	-57.5	0	0	0	0	110.2	L102 S103	S36-L102 CarbonylContact C-O 3.49Å; S36-L102 WeakPolarHBondContact CA-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.34Å; S36-S103 WeakPolarHBondContact OG-CA 3.49Å; S36-S103 WeakPolarHBondContact OG-CB 3.46Å
37	V	97.8	Very high	96.9	Very high	22 Å²	22	69 Å²	69	13%	0.133	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.3	175	-65.4	0	0	0	0	110	E29 A31 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG1 4.26Å; A31-V37 HydrophobicContact CB-CG1 3.51Å; V37-Q101 CarbonylContact O-C 3.51Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 3Å; V37-L102 HydrophobicContact CG2-CB 4.06Å; V37-L102 HydrophobicContact CG2-CD1 4.43Å; V37-L102 PolarHBondContact N-O 3.29Å; V37-L102 PolarHBondContact O-N 3.08Å; V37-L105 HydrophobicContact CB-CD1 4.38Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å; V37-L105 HydrophobicContact CG2-CD1 3.93Å; V37-L105 HydrophobicContact CG2-CD2 4.46Å
38	K	97.9	Very high	97	Very high	109 Å²	109	66.4 Å²	66.4	47%	0.474	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	107.8	176.5	-173.9	176.4	-179	178.5	0	109.7	Y99 M100	K38-Y99 HydrophobicContact CD-CD1 4.39Å; K38-Y99 HydrophobicContact CG-CD1 4.31Å; K38-M100 WeakPolarHBondContact CA-O 3.43Å
39	L	98.3	Very high	97.1	Very high	15 Å²	15	63.8 Å²	63.8	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.5	176.1	-51.8	-175.3	0	0	0	109.6	E29 W55 Y99 M100 Y113	E29-L39 HydrophobicContact CG-CD2 4.02Å; L39-W55 HydrophobicContact CB-CH2 4.04Å; L39-W55 HydrophobicContact CB-CZ3 3.95Å; L39-W55 HydrophobicContact CD1-CZ3 4.4Å; L39-Y99 WeakPolarHBondContact O-CA 3.14Å; L39-M100 HydrophobicContact CD1-CE 3.68Å; L39-M100 HydrophobicContact CG-CE 4.46Å; L39-M100 PolarHBondContact N-O 2.83Å; L39-M100 PolarHBondContact O-N 3.33Å; L39-Y113 VanDerWaalsContact CD1-CB 3.49Å; L39-Y113 HydrophobicContact CD1-CD2 4.08Å; L39-Y113 HydrophobicContact CD1-CG 3.81Å
40	S	98.5	Very high	97.2	Very high	31 Å²	31	62.2 Å²	62.2	22%	0.217	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.1	174.8	74.1	0	0	0	0	111.1	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.57Å; Q25-S40 VanDerWaalsContact CA-O 3.23Å; Q25-S40 WeakPolarHBondContact CA-O 3.4Å; S26-S40 WeakPolarHBondContact CB-OG 3.12Å; S26-S40 PolarHBondContact N-O 3.23Å; S26-S40 PolarHBondContact OG-N 3.02Å; S26-S40 VanDerWaalsContact OG-N 3.08Å; S40-A98 CarbonylContact C-O 3.56Å; S40-A98 WeakPolarHBondContact CA-O 3.42Å
41	C	98.7	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	106.1	173.6	176.9	0	0	0	0	109.2	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.35Å; Q25-C41 HydrophobicContact CG-CB 4.19Å; C41-W55 HydrophobicContact CB-CH2 3.89Å; C41-W55 HydrophobicContact CB-CZ2 4.03Å; C41-T97 CarbonylContact O-C 3.59Å; C41-T97 WeakPolarHBondContact O-CA 3.41Å; C41-A98 PolarHBondContact N-O 2.8Å; C41-A98 PolarHBondContact O-N 2.71Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.49Å; C41-C115 WeakPolarHBondContact SG-CB 3.38Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.94Å
42	K	98.5	Very high	97.4	Very high	118 Å²	118	62 Å²	62	51%	0.513	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.6	179.4	-174.1	175.4	-177.8	178	0	110	L23 Q24 T97	L23-K42 WeakPolarHBondContact CA-O 3.4Å; Q24-K42 PolarHBondContact N-O 3.2Å; Q24-K42 PolarHBondContact O-N 2.74Å; K42-T97 HydrophobicContact CB-CG2 4.48Å
43	A	98.2	Very high	97.5	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.7	179.2	0	0	0	0	0	111.8	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.4Å; L23-A43 HydrophobicContact CD2-CB 3.85Å; A43-Y46 HydrophobicContact CB-CE1 3.59Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; A43-F48 HydrophobicContact CB-CB 4.42Å; A43-F48 HydrophobicContact CB-CD2 3.53Å; A43-F48 HydrophobicContact CB-CE2 4.16Å; A43-F48 HydrophobicContact CB-CG 4.28Å; A43-S96 PolarHBondContact N-O 3.01Å; A43-S96 WeakPolarHBondContact O-CB 3.45Å
44	S	97.1	Very high	97.6	Very high	52 Å²	52	51 Å²	51	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.8	169.6	62.1	0	0	0	0	111.1	Q22 Y46	Q22-S44 PolarHBondContact N-O 3.13Å; Q22-S44 PolarHBondContact O-N 2.75Å; S44-Y46 VanDerWaalsContact C-N 3.34Å; S44-Y46 WeakPolarHBondContact O-CD1 3.29Å
45	G	95.6	Very high	97.7	Very high	25 Å²	25	48.4 Å²	48.4	26%	0.258	26%	0.263	S	S	.	.	S	Bend	trans	79.3	11.6	-179.9	0	0	0	0	0	115.6	S19	S19-G45 WeakPolarHBondContact OG-CA 3.16Å
46	Y	94.5	Very high	97.7	Very high	40 Å²	40	47.8 Å²	47.8	16%	0.157	26%	0.256	C	S	.	.	S	Bend	trans	-159.1	166.5	170.7	70.8	-78	0	0	0	111.3	V21 L23 A43 S44 F48 Y51 R117	V21-Y46 HydrophobicContact CG1-CD1 3.9Å; V21-Y46 HydrophobicContact CG1-CE1 4.08Å; V21-Y46 HydrophobicContact CG2-CD1 4.34Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; A43-Y46 HydrophobicContact CB-CE1 3.59Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; S44-Y46 VanDerWaalsContact C-N 3.34Å; S44-Y46 WeakPolarHBondContact O-CD1 3.29Å; Y46-F48 PolarHBondContact O-N 3.02Å; Y46-Y51 AromaticContact CD2-CD2 3.46Å; Y46-Y51 HydrophobicContact CD2-CD2 3.46Å; Y46-Y51 VanDerWaalsContact CD2-CD2 3.46Å; Y46-Y51 AromaticContact CD2-CE2 3.99Å; Y46-Y51 HydrophobicContact CD2-CE2 3.99Å; Y46-Y51 HydrophobicContact CD2-CG 4.29Å; Y46-Y51 AromaticContact CE2-CD2 3.75Å; Y46-Y51 HydrophobicContact CE2-CD2 3.75Å; Y46-Y51 HydrophobicContact CE2-CG 4.17Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.3Å
47	T	96.2	Very high	97.7	Very high	90 Å²	90	44.7 Å²	44.7	55%	0.552	23%	0.234	S	C	*	.			trans	-69.5	101.2	170.8	-54.9	0	0	0	0	109.5	T49 S50	T47-T49 PolarHBondContact O-N 3.2Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T47-S50 WeakPolarHBondContact CB-OG 3.49Å; T47-S50 VanDerWaalsContact CG2-OG 3.29Å; T47-S50 WeakPolarHBondContact CG2-OG 3.39Å; T47-S50 VanDerWaalsContact O-CB 3.32Å; T47-S50 WeakPolarHBondContact O-CB 3.01Å; T47-S50 PolarHBondContact O-N 3.2Å
48	F	97.5	Very high	97.7	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.026	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-50.5	-40.1	-175.1	173.6	-121.9	0	0	0	113.5	A43 Y46 S50 M53 P72 A91 A98	A43-F48 HydrophobicContact CB-CB 4.42Å; A43-F48 HydrophobicContact CB-CD2 3.53Å; A43-F48 HydrophobicContact CB-CE2 4.16Å; A43-F48 HydrophobicContact CB-CG 4.28Å; Y46-F48 PolarHBondContact O-N 3.02Å; F48-S50 PolarHBondContact O-N 2.86Å; F48-M53 HydrophobicContact CD2-CE 4.43Å; F48-M53 HydrophobicContact CE2-CE 3.85Å; F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD1-CG 4.4Å; F48-P72 HydrophobicContact CD2-CG 4.28Å; F48-P72 HydrophobicContact CE1-CB 3.45Å; F48-P72 VanDerWaalsContact CE1-CB 3.45Å; F48-P72 HydrophobicContact CE1-CG 3.97Å; F48-P72 HydrophobicContact CE2-CB 4.24Å; F48-P72 HydrophobicContact CE2-CG 3.81Å; F48-P72 HydrophobicContact CG-CB 4.43Å; F48-P72 HydrophobicContact CZ-CB 3.66Å; F48-P72 HydrophobicContact CZ-CG 3.64Å; F48-A91 HydrophobicContact CE1-CB 4.12Å; F48-A91 HydrophobicContact CZ-CB 4.08Å; F48-A98 HydrophobicContact CE2-CB 4.37Å; F48-A98 HydrophobicContact CZ-CB 4.07Å
49	T	98.1	Very high	97.6	Very high	50 Å²	50	44.1 Å²	44.1	31%	0.307	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-73	-8.4	-179.8	54.7	0	0	0	0	114.6	T47 S73 K93	T47-T49 PolarHBondContact O-N 3.2Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T49-S73 WeakPolarHBondContact O-CB 3.38Å; T49-K93 HydrophobicContact CG2-CB 4.45Å; T49-K93 HydrophobicContact CG2-CD 4.33Å; T49-K93 HydrophobicContact CG2-CG 4.02Å
50	S	97.1	Very high	97.4	Very high	79 Å²	79	48.9 Å²	48.9	55%	0.552	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-87.1	-7.5	-179.7	-61.4	0	0	0	0	113.9	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.49Å; T47-S50 VanDerWaalsContact CG2-OG 3.29Å; T47-S50 WeakPolarHBondContact CG2-OG 3.39Å; T47-S50 VanDerWaalsContact O-CB 3.32Å; T47-S50 WeakPolarHBondContact O-CB 3.01Å; T47-S50 PolarHBondContact O-N 3.2Å; F48-S50 PolarHBondContact O-N 2.86Å
51	Y	97.2	Very high	97.2	Very high	106 Å²	106	51.9 Å²	51.9	42%	0.416	30%	0.296	S	S	.	.	S	Bend	trans	-134	151.3	-178	-65.8	-96.6	0	0	0	110.8	Y46 P72	Y46-Y51 AromaticContact CD2-CD2 3.46Å; Y46-Y51 HydrophobicContact CD2-CD2 3.46Å; Y46-Y51 VanDerWaalsContact CD2-CD2 3.46Å; Y46-Y51 AromaticContact CD2-CE2 3.99Å; Y46-Y51 HydrophobicContact CD2-CE2 3.99Å; Y46-Y51 HydrophobicContact CD2-CG 4.29Å; Y46-Y51 AromaticContact CE2-CD2 3.75Å; Y46-Y51 HydrophobicContact CE2-CD2 3.75Å; Y46-Y51 HydrophobicContact CE2-CG 4.17Å; Y51-P72 WeakPolarHBondContact O-CD 3.22Å; Y51-P72 WeakPolarHBondContact O-CG 3.47Å
52	W	98.4	Very high	97	Very high	114 Å²	114	56.9 Å²	56.9	43%	0.432	32%	0.32	S	S	.	.			trans	-77.7	146.9	173.4	-57.5	-6	0	0	0	109.6	Y69 I70 R117	W52-Y69 HydrophobicContact CB-CD2 4.36Å; W52-Y69 HydrophobicContact CD2-CD2 4.12Å; W52-Y69 HydrophobicContact CD2-CE2 4.03Å; W52-Y69 AromaticContact CE3-CD1 3.95Å; W52-Y69 HydrophobicContact CE3-CD1 3.95Å; W52-Y69 AromaticContact CE3-CD2 3.83Å; W52-Y69 HydrophobicContact CE3-CD2 3.83Å; W52-Y69 AromaticContact CE3-CE1 3.77Å; W52-Y69 HydrophobicContact CE3-CE1 3.77Å; W52-Y69 AromaticContact CE3-CE2 3.65Å; W52-Y69 HydrophobicContact CE3-CE2 3.65Å; W52-Y69 HydrophobicContact CE3-CG 4.02Å; W52-Y69 AromaticContact CE3-CZ 3.62Å; W52-Y69 HydrophobicContact CG-CD2 4.37Å; W52-Y69 HydrophobicContact CH2-CE2 4.49Å; W52-Y69 HydrophobicContact CZ3-CD1 4.32Å; W52-Y69 AromaticContact CZ3-CE1 3.69Å; W52-Y69 HydrophobicContact CZ3-CE1 3.69Å; W52-Y69 AromaticContact CZ3-CE2 3.9Å; W52-Y69 HydrophobicContact CZ3-CE2 3.9Å; W52-Y69 AromaticContact CZ3-CZ 3.46Å; W52-Y69 VanDerWaalsContact CZ3-CZ 3.46Å; W52-I70 CarbonylContact C-O 3.56Å; W52-I70 WeakPolarHBondContact CA-O 3.44Å; W52-R117 WeakPolarHBondContact O-CA 3.44Å
53	M	98.6	Very high	96.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.6	172.3	-173.1	64.7	64.6	0	0	109.4	L23 F48 Y69 I70 A98 C115 A116	L23-M53 HydrophobicContact CD1-CE 4.47Å; L23-M53 HydrophobicContact CD1-SD 4.3Å; L23-M53 HydrophobicContact CD2-CE 3.71Å; F48-M53 HydrophobicContact CD2-CE 4.43Å; F48-M53 HydrophobicContact CE2-CE 3.85Å; M53-Y69 CarbonylContact O-C 3.6Å; M53-Y69 WeakPolarHBondContact O-CA 3.46Å; M53-Y69 WeakPolarHBondContact O-CB 3.35Å; M53-I70 HydrophobicContact CB-CG2 3.94Å; M53-I70 PolarHBondContact N-O 2.81Å; M53-I70 PolarHBondContact O-N 2.8Å; M53-A98 HydrophobicContact CB-CB 4Å; M53-A98 HydrophobicContact CG-CB 3.59Å; M53-C115 HydrophobicContact CG-CB 4.42Å; M53-C115 HydrophobicContact SD-CB 3.76Å; M53-A116 CarbonylContact C-O 3.58Å
54	H	98.7	Very high	96.8	Very high	50 Å²	50	59.7 Å²	59.7	23%	0.231	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	147.2	176.4	-67.5	-109.4	0	0	0	110.6	W66 G68 Y69 C115 A116	H54-W66 AromaticContact ND1-NE1 3.34Å; H54-W66 PolarHBondContact ND1-NE1 2.94Å; H54-G68 WeakPolarHBondContact CA-O 3.42Å; H54-Y69 AromaticContact CE1-CD1 3.73Å; H54-C115 CarbonylContact O-C 3.59Å; H54-C115 VanDerWaalsContact O-CA 3.29Å; H54-C115 WeakPolarHBondContact O-CA 3.5Å; H54-A116 HydrophobicContact CB-CB 4.42Å; H54-A116 PolarHBondContact N-O 3.27Å; H54-A116 PolarHBondContact O-N 2.94Å
55	W	98.7	Very high	96.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.6	172	-69.3	87.4	0	0	0	110.2	L39 C41 I67 G68 L89 A98 M100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 4.04Å; L39-W55 HydrophobicContact CB-CZ3 3.95Å; L39-W55 HydrophobicContact CD1-CZ3 4.4Å; C41-W55 HydrophobicContact CB-CH2 3.89Å; C41-W55 HydrophobicContact CB-CZ2 4.03Å; W55-I67 HydrophobicContact CB-CB 4.17Å; W55-I67 HydrophobicContact CB-CD1 4.3Å; W55-I67 WeakPolarHBondContact O-CB 3.3Å; W55-I67 PolarHBondContact O-N 3.36Å; W55-G68 PolarHBondContact N-O 3.44Å; W55-L89 VanDerWaalsContact CD1-CD2 3.49Å; W55-L89 HydrophobicContact CG-CD2 3.99Å; W55-A98 HydrophobicContact CZ2-CB 4.31Å; W55-M100 HydrophobicContact CB-SD 3.89Å; W55-M100 HydrophobicContact CD2-CB 3.63Å; W55-M100 HydrophobicContact CD2-CE 4.24Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 4.02Å; W55-M100 HydrophobicContact CE3-CB 3.84Å; W55-M100 HydrophobicContact CE3-CE 3.63Å; W55-M100 HydrophobicContact CE3-SD 4.02Å; W55-M100 HydrophobicContact CG-CB 4.19Å; W55-M100 HydrophobicContact CG-SD 3.99Å; W55-M100 HydrophobicContact CH2-CB 4Å; W55-M100 HydrophobicContact CZ2-CB 3.81Å; W55-M100 HydrophobicContact CZ3-CB 4.02Å; W55-M100 HydrophobicContact CZ3-CE 4.1Å; W55-Y114 WeakPolarHBondContact CA-O 3.29Å; W55-C115 HydrophobicContact CD2-CB 4.43Å; W55-C115 HydrophobicContact CE3-CB 4.29Å; W55-C115 HydrophobicContact CH2-CB 4.3Å; W55-C115 HydrophobicContact CZ2-CB 4.41Å; W55-C115 HydrophobicContact CZ3-CB 4.23Å
56	V	98.5	Very high	97	Very high	25 Å²	25	61.3 Å²	61.3	15%	0.152	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.9	-175.2	-174.6	0	0	0	0	109.5	L64 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.78Å; V56-L64 HydrophobicContact CG1-CD2 3.86Å; V56-L64 HydrophobicContact CG1-CG 4.28Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.5Å; V56-Y114 PolarHBondContact N-O 3.45Å; V56-Y114 PolarHBondContact O-N 2.97Å
57	K	97.8	Very high	97.2	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.3	175.1	-175.8	179.4	-177.1	176.1	0	110.1	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.41Å; K57-E65 PolarHBondContact N-O 2.89Å; K57-E65 PolarHBondContact O-N 3.27Å; K57-I67 HydrophobicContact CB-CD1 4.06Å; K57-I67 HydrophobicContact CB-CG1 4.2Å; K57-F83 HydrophobicContact CD-CE1 4.06Å; K57-F83 HydrophobicContact CD-CZ 3.95Å; K57-E108 WeakPolarHBondContact CE-O 3.42Å; K57-E108 PolarHBondContact NZ-O 2.84Å; K57-D109 IonicContact NZ-OD1 3.38Å; K57-D109 PolarHBondContact NZ-OD1 3.22Å; K57-A111 HydrophobicContact CD-CB 4.19Å; K57-A111 HydrophobicContact CG-CB 3.55Å; K57-Y113 HydrophobicContact CB-CD1 4.13Å; K57-Y113 HydrophobicContact CB-CE1 3.92Å; K57-Y113 HydrophobicContact CD-CE1 3.96Å; K57-Y113 WeakPolarHBondContact CE-OH 3.2Å; K57-Y113 HydrophobicContact CG-CD1 4.25Å; K57-Y113 HydrophobicContact CG-CE1 3.74Å
58	Q	97.7	Very high	97.3	Very high	67 Å²	67	55.1 Å²	55.1	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.1	169.5	-166.9	-179.8	20.1	0	0	110.3	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.88Å; Q58-L64 HydrophobicContact CG-CD2 4.02Å; Q58-A111 WeakPolarHBondContact O-CA 3.41Å; Q58-A111 VanDerWaalsContact O-CB 3.3Å; Q58-A111 WeakPolarHBondContact O-CB 3.32Å; Q58-V112 PolarHBondContact N-O 3.33Å; Q58-V112 PolarHBondContact O-N 3.34Å; Q58-Y114 HydrophobicContact CB-CD2 4.45Å; Q58-Y114 HydrophobicContact CB-CE2 3.88Å; Q58-Y114 PolarHBondContact OE1-OH 3.44Å
59	R	95.6	Very high	97.3	Very high	53 Å²	53	56 Å²	56	20%	0.2	32%	0.315	C	S	.	.			trans	-87.8	151.2	170.1	-61.3	-171.9	-170.6	87.8	-4.1	110.1	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.82Å; R59-Q62 HydrophobicContact CB-CB 4.02Å; R59-Q62 HydrophobicContact CB-CG 4.02Å; R59-Q62 VanDerWaalsContact NH1-OE1 3.07Å; R59-Q62 PolarHBondContact O-N 2.98Å; R59-E65 IonicContact NH1-OE2 2.78Å; R59-E65 PolarHBondContact NH1-OE2 3.23Å; R59-E108 PolarHBondContact NE-O 2.74Å; R59-E108 PolarHBondContact NH2-O 3.35Å; R59-A111 HydrophobicContact CG-CB 4.12Å
60	P	94.5	Very high	97.4	Very high	115 Å²	115	53.9 Å²	53.9	75%	0.747	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	127	171.4	-25.6	34.8	0	0	0	111.2	Q62	P60-Q62 PolarHBondContact O-N 3.45Å
61	G	95.1	Very high	97.4	Very high	93 Å²	93	51.7 Å²	51.7	96%	0.959	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	5.5	-179.7	0	0	0	0	0	115.9	R59	R59-G61 PolarHBondContact O-N 2.82Å
62	Q	94.6	Very high	97.5	Very high	105 Å²	105	46.8 Å²	46.8	49%	0.491	26%	0.264	S	S	.	.	S	Bend	trans	-115.1	161.8	176.4	-57.7	-173.1	9.3	0	0	111.8	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.02Å; R59-Q62 HydrophobicContact CB-CG 4.02Å; R59-Q62 VanDerWaalsContact NH1-OE1 3.07Å; R59-Q62 PolarHBondContact O-N 2.98Å; P60-Q62 PolarHBondContact O-N 3.45Å
63	G	94.3	Very high	97.5	Very high	60 Å²	60	44.3 Å²	44.3	62%	0.619	27%	0.265	S	S	*	.			trans	-68.4	175	173.8	0	0	0	0	0	113.5
64	L	97.3	Very high	97.5	Very high	121 Å²	121	48.1 Å²	48.1	63%	0.634	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.7	173	-65.5	175.5	0	0	0	110.4	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.78Å; V56-L64 HydrophobicContact CG1-CD2 3.86Å; V56-L64 HydrophobicContact CG1-CG 4.28Å; Q58-L64 HydrophobicContact CB-CD2 3.88Å; Q58-L64 HydrophobicContact CG-CD2 4.02Å
65	E	97.8	Very high	97.4	Very high	31 Å²	31	47.8 Å²	47.8	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.2	176.7	-174.5	169.6	-145	0	0	109.4	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.41Å; K57-E65 PolarHBondContact N-O 2.89Å; K57-E65 PolarHBondContact O-N 3.27Å; R59-E65 IonicContact NH1-OE2 2.78Å; R59-E65 PolarHBondContact NH1-OE2 3.23Å; E65-I67 PolarHBondContact O-N 2.66Å; E65-K82 WeakPolarHBondContact OE1-CD 3.23Å; E65-K82 IonicContact OE1-NZ 2.54Å; E65-K82 PolarHBondContact OE1-NZ 3.01Å; E65-F83 HydrophobicContact CG-CE2 3.79Å; E65-F83 HydrophobicContact CG-CZ 4.09Å
66	W	98.2	Very high	97.4	Very high	81 Å²	81	54 Å²	54	31%	0.307	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.6	178.8	-179.1	73	0	0	0	110.7	H54 G68 Y69 K78 N80	H54-W66 AromaticContact ND1-NE1 3.34Å; H54-W66 PolarHBondContact ND1-NE1 2.94Å; W66-G68 VanDerWaalsContact CE2-C 3.48Å; W66-G68 VanDerWaalsContact CE2-CA 3.5Å; W66-G68 PolarHBondContact NE1-O 2.85Å; W66-G68 VanDerWaalsContact NE1-O 3.1Å; W66-Y69 HydrophobicContact CH2-CD1 4.25Å; W66-Y69 AromaticContact CZ2-CD1 3.52Å; W66-Y69 HydrophobicContact CZ2-CD1 3.52Å; W66-Y69 HydrophobicContact CZ2-CE1 4.21Å; W66-Y69 HydrophobicContact CZ2-CG 4.28Å; W66-K78 HydrophobicContact CH2-CB 4.46Å; W66-K78 HydrophobicContact CH2-CG 4.22Å; W66-N80 HydrophobicContact CE3-CB 3.85Å; W66-N80 HydrophobicContact CZ3-CB 4.04Å; W66-N80 WeakPolarHBondContact O-CB 3.4Å; W66-N80 PolarHBondContact O-ND2 2.8Å
67	I	98.5	Very high	97.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-49.4	-178.6	-61.3	174.5	0	0	0	110.4	W55 K57 E65 Y79 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.17Å; W55-I67 HydrophobicContact CB-CD1 4.3Å; W55-I67 WeakPolarHBondContact O-CB 3.3Å; W55-I67 PolarHBondContact O-N 3.36Å; K57-I67 HydrophobicContact CB-CD1 4.06Å; K57-I67 HydrophobicContact CB-CG1 4.2Å; E65-I67 PolarHBondContact O-N 2.66Å; I67-Y79 WeakPolarHBondContact O-CA 3.44Å; I67-N80 PolarHBondContact O-N 2.85Å; I67-F83 HydrophobicContact CB-CD2 4.35Å; I67-F83 HydrophobicContact CB-CG 4.29Å; I67-F83 HydrophobicContact CG1-CD1 4.18Å; I67-F83 HydrophobicContact CG1-CD2 4.26Å; I67-F83 HydrophobicContact CG1-CE1 4.1Å; I67-F83 HydrophobicContact CG1-CE2 4.19Å; I67-F83 HydrophobicContact CG1-CG 4.26Å; I67-F83 HydrophobicContact CG1-CZ 4.11Å; I67-F83 HydrophobicContact CG2-CB 3.79Å; I67-F83 HydrophobicContact CG2-CD1 4.1Å; I67-F83 HydrophobicContact CG2-CD2 4.34Å; I67-F83 HydrophobicContact CG2-CG 3.82Å; I67-A87 HydrophobicContact CG2-CB 3.81Å; I67-M100 HydrophobicContact CD1-CE 3.97Å; I67-M100 HydrophobicContact CD1-SD 3.57Å; I67-M100 VanDerWaalsContact CD1-SD 3.57Å; I67-M100 HydrophobicContact CG2-SD 4Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.72Å
68	G	98.6	Very high	97.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	177.5	-169.1	0	0	0	0	0	112.7	H54 W55 W66 K78	H54-G68 WeakPolarHBondContact CA-O 3.42Å; W55-G68 PolarHBondContact N-O 3.44Å; W66-G68 VanDerWaalsContact CE2-C 3.48Å; W66-G68 VanDerWaalsContact CE2-CA 3.5Å; W66-G68 PolarHBondContact NE1-O 2.85Å; W66-G68 VanDerWaalsContact NE1-O 3.1Å; G68-K78 CarbonylContact C-O 3.53Å; G68-K78 WeakPolarHBondContact CA-O 3Å
69	Y	98.7	Very high	97.5	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.098	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.3	164.9	67.6	-111.7	0	0	0	110.9	W52 M53 H54 W66 Y76 T77 K78 L89	W52-Y69 HydrophobicContact CB-CD2 4.36Å; W52-Y69 HydrophobicContact CD2-CD2 4.12Å; W52-Y69 HydrophobicContact CD2-CE2 4.03Å; W52-Y69 AromaticContact CE3-CD1 3.95Å; W52-Y69 HydrophobicContact CE3-CD1 3.95Å; W52-Y69 AromaticContact CE3-CD2 3.83Å; W52-Y69 HydrophobicContact CE3-CD2 3.83Å; W52-Y69 AromaticContact CE3-CE1 3.77Å; W52-Y69 HydrophobicContact CE3-CE1 3.77Å; W52-Y69 AromaticContact CE3-CE2 3.65Å; W52-Y69 HydrophobicContact CE3-CE2 3.65Å; W52-Y69 HydrophobicContact CE3-CG 4.02Å; W52-Y69 AromaticContact CE3-CZ 3.62Å; W52-Y69 HydrophobicContact CG-CD2 4.37Å; W52-Y69 HydrophobicContact CH2-CE2 4.49Å; W52-Y69 HydrophobicContact CZ3-CD1 4.32Å; W52-Y69 AromaticContact CZ3-CE1 3.69Å; W52-Y69 HydrophobicContact CZ3-CE1 3.69Å; W52-Y69 AromaticContact CZ3-CE2 3.9Å; W52-Y69 HydrophobicContact CZ3-CE2 3.9Å; W52-Y69 AromaticContact CZ3-CZ 3.46Å; W52-Y69 VanDerWaalsContact CZ3-CZ 3.46Å; M53-Y69 CarbonylContact O-C 3.6Å; M53-Y69 WeakPolarHBondContact O-CA 3.46Å; M53-Y69 WeakPolarHBondContact O-CB 3.35Å; H54-Y69 AromaticContact CE1-CD1 3.73Å; W66-Y69 HydrophobicContact CH2-CD1 4.25Å; W66-Y69 AromaticContact CZ2-CD1 3.52Å; W66-Y69 HydrophobicContact CZ2-CD1 3.52Å; W66-Y69 HydrophobicContact CZ2-CE1 4.21Å; W66-Y69 HydrophobicContact CZ2-CG 4.28Å; Y69-Y76 AromaticContact CE2-CD1 3.99Å; Y69-Y76 HydrophobicContact CE2-CD1 3.99Å; Y69-Y76 AromaticContact CE2-CE1 3.89Å; Y69-Y76 HydrophobicContact CE2-CE1 3.89Å; Y69-T77 VanDerWaalsContact O-CA 3.3Å; Y69-T77 WeakPolarHBondContact O-CA 3.18Å; Y69-K78 HydrophobicContact CD1-CB 4.36Å; Y69-K78 HydrophobicContact CE1-CB 3.79Å; Y69-K78 HydrophobicContact CE1-CD 4.01Å; Y69-K78 HydrophobicContact CE1-CG 4.44Å; Y69-K78 HydrophobicContact CE2-CB 3.97Å; Y69-K78 PolarHBondContact N-O 2.83Å; Y69-K78 PolarHBondContact O-N 3.46Å; Y69-L89 VanDerWaalsContact C-CD1 3.48Å
70	I	98.8	Very high	97.6	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.3	166.4	-175.4	165.9	0	0	0	109.7	W52 M53 P72 Y76 T77 L89 T90 A91	W52-I70 CarbonylContact C-O 3.56Å; W52-I70 WeakPolarHBondContact CA-O 3.44Å; M53-I70 HydrophobicContact CB-CG2 3.94Å; M53-I70 PolarHBondContact N-O 2.81Å; M53-I70 PolarHBondContact O-N 2.8Å; I70-P72 VanDerWaalsContact O-CD 3.31Å; I70-P72 WeakPolarHBondContact O-CD 3.3Å; I70-Y76 CarbonylContact C-O 3.6Å; I70-Y76 WeakPolarHBondContact CA-O 3.47Å; I70-T77 HydrophobicContact CB-CG2 4.02Å; I70-T77 HydrophobicContact CD1-CG2 4.01Å; I70-T77 HydrophobicContact CG1-CG2 3.87Å; I70-L89 HydrophobicContact CB-CB 4.1Å; I70-L89 HydrophobicContact CG2-CB 4.47Å; I70-T90 VanDerWaalsContact CD1-C 3.46Å; I70-A91 HydrophobicContact CD1-CB 3.9Å
71	N	98.6	Very high	97.8	Very high	33 Å²	33	59.8 Å²	59.8	18%	0.176	34%	0.344	C	S	.	.			trans	-84.7	108.6	163.2	178.8	-18.3	0	0	0	108.1	S73 S74 G75 Y76	N71-S73 PolarHBondContact O-N 3Å; N71-S73 VanDerWaalsContact OD1-CB 3.24Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.81Å; N71-S74 PolarHBondContact ND2-OG 2.81Å; N71-S74 PolarHBondContact O-N 3.42Å; N71-S74 PolarHBondContact OD1-N 3.25Å; N71-G75 WeakPolarHBondContact O-CA 3.48Å; N71-G75 PolarHBondContact O-N 2.87Å; N71-Y76 PolarHBondContact N-O 3.38Å
72	P	98.6	Very high	97.8	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.019	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.6	-176.8	-19.1	33	0	0	0	113.6	F48 Y51 I70 A91 K93	F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD1-CG 4.4Å; F48-P72 HydrophobicContact CD2-CG 4.28Å; F48-P72 HydrophobicContact CE1-CB 3.45Å; F48-P72 VanDerWaalsContact CE1-CB 3.45Å; F48-P72 HydrophobicContact CE1-CG 3.97Å; F48-P72 HydrophobicContact CE2-CB 4.24Å; F48-P72 HydrophobicContact CE2-CG 3.81Å; F48-P72 HydrophobicContact CG-CB 4.43Å; F48-P72 HydrophobicContact CZ-CB 3.66Å; F48-P72 HydrophobicContact CZ-CG 3.64Å; Y51-P72 WeakPolarHBondContact O-CD 3.22Å; Y51-P72 WeakPolarHBondContact O-CG 3.47Å; I70-P72 VanDerWaalsContact O-CD 3.31Å; I70-P72 WeakPolarHBondContact O-CD 3.3Å; P72-A91 HydrophobicContact CB-CB 3.99Å; P72-K93 WeakPolarHBondContact O-CE 3.45Å
73	S	98.3	Very high	97.9	Very high	63 Å²	63	57.9 Å²	57.9	44%	0.441	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-47.5	176.5	-174.6	0	0	0	0	112.2	T49 N71 K93	T49-S73 WeakPolarHBondContact O-CB 3.38Å; N71-S73 PolarHBondContact O-N 3Å; N71-S73 VanDerWaalsContact OD1-CB 3.24Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.81Å; S73-K93 WeakPolarHBondContact O-CE 3.01Å; S73-K93 PolarHBondContact O-NZ 2.78Å
74	S	98.1	Very high	98	Very high	81 Å²	81	60.6 Å²	60.6	57%	0.566	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-16.1	-174.7	62.5	0	0	0	0	114.6	N71 Y76	N71-S74 PolarHBondContact ND2-OG 2.81Å; N71-S74 PolarHBondContact O-N 3.42Å; N71-S74 PolarHBondContact OD1-N 3.25Å; S74-Y76 PolarHBondContact O-N 3.44Å; S74-Y76 WeakPolarHBondContact OG-CB 3.21Å; S74-Y76 PolarHBondContact OG-N 2.83Å
75	G	98.1	Very high	97.9	Very high	43 Å²	43	61.9 Å²	61.9	44%	0.443	31%	0.31	S	S	.	.			trans	75.2	2.7	-168.9	0	0	0	0	0	113.8	N71 T77	N71-G75 WeakPolarHBondContact O-CA 3.48Å; N71-G75 PolarHBondContact O-N 2.87Å; G75-T77 PolarHBondContact O-N 2.82Å
76	Y	98.5	Very high	97.9	Very high	129 Å²	129	62.3 Å²	62.3	51%	0.506	31%	0.312	S	S	.	.			trans	-62.6	132.9	177.3	174.4	-95.1	0	0	0	110.9	Y69 I70 N71 S74 K78	Y69-Y76 AromaticContact CE2-CD1 3.99Å; Y69-Y76 HydrophobicContact CE2-CD1 3.99Å; Y69-Y76 AromaticContact CE2-CE1 3.89Å; Y69-Y76 HydrophobicContact CE2-CE1 3.89Å; I70-Y76 CarbonylContact C-O 3.6Å; I70-Y76 WeakPolarHBondContact CA-O 3.47Å; N71-Y76 PolarHBondContact N-O 3.38Å; S74-Y76 PolarHBondContact O-N 3.44Å; S74-Y76 WeakPolarHBondContact OG-CB 3.21Å; S74-Y76 PolarHBondContact OG-N 2.83Å; Y76-K78 HydrophobicContact CE1-CB 4.24Å
77	T	98.7	Very high	97.9	Very high	41 Å²	41	58.6 Å²	58.6	25%	0.252	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.8	179.8	56.8	0	0	0	0	111.7	Y69 I70 G75 Y79 L89	Y69-T77 VanDerWaalsContact O-CA 3.3Å; Y69-T77 WeakPolarHBondContact O-CA 3.18Å; I70-T77 HydrophobicContact CB-CG2 4.02Å; I70-T77 HydrophobicContact CD1-CG2 4.01Å; I70-T77 HydrophobicContact CG1-CG2 3.87Å; G75-T77 PolarHBondContact O-N 2.82Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.39Å; T77-L89 HydrophobicContact CG2-CB 3.94Å
78	K	98.5	Very high	97.9	Very high	109 Å²	109	61.9 Å²	61.9	47%	0.474	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.9	167.1	-170.9	177.5	-179.9	177.7	0	109.3	W66 G68 Y69 Y76	W66-K78 HydrophobicContact CH2-CB 4.46Å; W66-K78 HydrophobicContact CH2-CG 4.22Å; G68-K78 CarbonylContact C-O 3.53Å; G68-K78 WeakPolarHBondContact CA-O 3Å; Y69-K78 HydrophobicContact CD1-CB 4.36Å; Y69-K78 HydrophobicContact CE1-CB 3.79Å; Y69-K78 HydrophobicContact CE1-CD 4.01Å; Y69-K78 HydrophobicContact CE1-CG 4.44Å; Y69-K78 HydrophobicContact CE2-CB 3.97Å; Y69-K78 PolarHBondContact N-O 2.83Å; Y69-K78 PolarHBondContact O-N 3.46Å; Y76-K78 HydrophobicContact CE1-CB 4.24Å
79	Y	98.6	Very high	97.9	Very high	53 Å²	53	62.3 Å²	62.3	21%	0.208	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.4	-177.5	-61.2	-92.3	0	0	0	111.2	I67 T77 A87 L89	I67-Y79 WeakPolarHBondContact O-CA 3.44Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.39Å; Y79-A87 HydrophobicContact CD1-CB 4.37Å; Y79-A87 HydrophobicContact CE1-CB 4.16Å; Y79-A87 VanDerWaalsContact CE1-O 3.22Å; Y79-A87 WeakPolarHBondContact CE1-O 3.16Å; Y79-L89 HydrophobicContact CE1-CB 4.49Å; Y79-L89 HydrophobicContact CE1-CD1 4.07Å; Y79-L89 HydrophobicContact CE1-CG 3.67Å; Y79-L89 PolarHBondContact OH-N 3.02Å
80	N	97.7	Very high	97.9	Very high	44 Å²	44	64 Å²	64	24%	0.235	33%	0.333	C	S	.	.			trans	-69.1	138.3	154.3	178.5	-25	0	0	0	108.6	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.85Å; W66-N80 HydrophobicContact CZ3-CB 4.04Å; W66-N80 WeakPolarHBondContact O-CB 3.4Å; W66-N80 PolarHBondContact O-ND2 2.8Å; I67-N80 PolarHBondContact O-N 2.85Å; N80-K82 PolarHBondContact O-N 2.78Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 3.27Å; N80-K82 VanDerWaalsContact OD1-N 3.12Å; N80-F83 HydrophobicContact CB-CD2 4.09Å; N80-F83 PolarHBondContact O-N 3.24Å; N80-K84 PolarHBondContact O-N 3.05Å
81	Q	97.5	Very high	97.9	Very high	136 Å²	136	65.3 Å²	65.3	64%	0.636	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-53.8	-34.5	-176.3	-171.6	56.8	36.2	0	0	113.2	F83 K84	Q81-F83 PolarHBondContact O-N 3.34Å; Q81-K84 PolarHBondContact O-N 2.89Å
82	K	95.6	Very high	97.9	Very high	151 Å²	151	66.7 Å²	66.7	66%	0.657	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-63.5	-23.3	178.1	-67.3	-177.4	-176.6	179.8	0	114.5	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.23Å; E65-K82 IonicContact OE1-NZ 2.54Å; E65-K82 PolarHBondContact OE1-NZ 3.01Å; N80-K82 PolarHBondContact O-N 2.78Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 3.27Å; N80-K82 VanDerWaalsContact OD1-N 3.12Å
83	F	97.3	Very high	97.9	Very high	7 Å²	7	72.2 Å²	72.2	3%	0.031	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-112.1	-3.1	-175.1	-62.7	-86.7	0	0	0	113.2	K57 E65 I67 N80 Q81 D85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.06Å; K57-F83 HydrophobicContact CD-CZ 3.95Å; E65-F83 HydrophobicContact CG-CE2 3.79Å; E65-F83 HydrophobicContact CG-CZ 4.09Å; I67-F83 HydrophobicContact CB-CD2 4.35Å; I67-F83 HydrophobicContact CB-CG 4.29Å; I67-F83 HydrophobicContact CG1-CD1 4.18Å; I67-F83 HydrophobicContact CG1-CD2 4.26Å; I67-F83 HydrophobicContact CG1-CE1 4.1Å; I67-F83 HydrophobicContact CG1-CE2 4.19Å; I67-F83 HydrophobicContact CG1-CG 4.26Å; I67-F83 HydrophobicContact CG1-CZ 4.11Å; I67-F83 HydrophobicContact CG2-CB 3.79Å; I67-F83 HydrophobicContact CG2-CD1 4.1Å; I67-F83 HydrophobicContact CG2-CD2 4.34Å; I67-F83 HydrophobicContact CG2-CG 3.82Å; N80-F83 HydrophobicContact CB-CD2 4.09Å; N80-F83 PolarHBondContact O-N 3.24Å; Q81-F83 PolarHBondContact O-N 3.34Å; F83-D85 PolarHBondContact O-N 3.12Å; F83-K86 PolarHBondContact O-N 3.44Å; F83-A87 HydrophobicContact CB-CB 4.13Å; F83-A87 PolarHBondContact O-N 3.09Å
84	K	96	Very high	97.8	Very high	118 Å²	118	74.3 Å²	74.3	51%	0.513	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.6	-173.7	-171.3	179.7	179.4	-175.3	0	113.1	N80 Q81	N80-K84 PolarHBondContact O-N 3.05Å; Q81-K84 PolarHBondContact O-N 2.89Å
85	D	96	Very high	97.8	Very high	147 Å²	147	72.2 Å²	72.2	79%	0.786	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	2.7	-178.9	-53.1	-40.8	0	0	0	112.8	F83	F83-D85 PolarHBondContact O-N 3.12Å
86	K	97.2	Very high	97.8	Very high	41 Å²	41	71.9 Å²	71.9	18%	0.178	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-35.2	-172.3	-165	169.2	-164.4	168.4	0	113.7	F83 L102 S103 D109	F83-K86 PolarHBondContact O-N 3.44Å; K86-L102 WeakPolarHBondContact O-CA 3.44Å; K86-S103 WeakPolarHBondContact CG-O 3.44Å; K86-S103 PolarHBondContact O-N 3.25Å; K86-S103 PolarHBondContact O-OG 3.19Å; K86-D109 WeakPolarHBondContact CE-OD1 2.99Å; K86-D109 WeakPolarHBondContact CE-OD2 3.46Å; K86-D109 IonicContact NZ-OD1 3.29Å; K86-D109 PolarHBondContact NZ-OD1 3Å; K86-D109 IonicContact NZ-OD2 2.88Å; K86-D109 PolarHBondContact NZ-OD2 3.2Å
87	A	98.3	Very high	97.8	Very high	2 Å²	2	66.1 Å²	66.1	2%	0.017	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.2	-178.1	0	0	0	0	0	110.4	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.81Å; Y79-A87 HydrophobicContact CD1-CB 4.37Å; Y79-A87 HydrophobicContact CE1-CB 4.16Å; Y79-A87 VanDerWaalsContact CE1-O 3.22Å; Y79-A87 WeakPolarHBondContact CE1-O 3.16Å; F83-A87 HydrophobicContact CB-CB 4.13Å; F83-A87 PolarHBondContact O-N 3.09Å; A87-Q101 CarbonylContact C-O 3.56Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.42Å; A87-L102 HydrophobicContact CB-CD2 3.87Å
88	T	98.6	Very high	97.8	Very high	70 Å²	70	64.2 Å²	64.2	43%	0.429	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.8	168	-60.9	0	0	0	0	108.7	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.33Å; T88-M100 WeakPolarHBondContact O-CA 2.89Å; T88-Q101 PolarHBondContact N-O 2.82Å; T88-Q101 PolarHBondContact O-N 3.41Å
89	L	98.8	Very high	97.8	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	177.7	-53.9	-176.2	0	0	0	110.4	W55 Y69 I70 T77 Y79 Y99 M100	W55-L89 VanDerWaalsContact CD1-CD2 3.49Å; W55-L89 HydrophobicContact CG-CD2 3.99Å; Y69-L89 VanDerWaalsContact C-CD1 3.48Å; I70-L89 HydrophobicContact CB-CB 4.1Å; I70-L89 HydrophobicContact CG2-CB 4.47Å; T77-L89 HydrophobicContact CG2-CB 3.94Å; Y79-L89 HydrophobicContact CE1-CB 4.49Å; Y79-L89 HydrophobicContact CE1-CD1 4.07Å; Y79-L89 HydrophobicContact CE1-CG 3.67Å; Y79-L89 PolarHBondContact OH-N 3.02Å; L89-Y99 WeakPolarHBondContact CA-O 3.36Å; L89-M100 HydrophobicContact CD2-CB 3.68Å; L89-M100 HydrophobicContact CD2-CG 3.61Å; L89-M100 HydrophobicContact CD2-SD 4.16Å
90	T	98.7	Very high	97.8	Very high	60 Å²	60	59.2 Å²	59.2	37%	0.368	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.5	175.4	56.3	0	0	0	0	110.4	I70 T88 A98 Y99	I70-T90 VanDerWaalsContact CD1-C 3.46Å; T88-T90 HydrophobicContact CG2-CG2 4.33Å; T90-A98 WeakPolarHBondContact O-CA 3.31Å; T90-Y99 PolarHBondContact N-O 3.18Å; T90-Y99 PolarHBondContact O-N 3.49Å
91	A	98.6	Very high	97.9	Very high	33 Å²	33	61 Å²	61	27%	0.273	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.6	177.4	0	0	0	0	0	110.7	F48 I70 P72 T97	F48-A91 HydrophobicContact CE1-CB 4.12Å; F48-A91 HydrophobicContact CZ-CB 4.08Å; I70-A91 HydrophobicContact CD1-CB 3.9Å; P72-A91 HydrophobicContact CB-CB 3.99Å; A91-T97 CarbonylContact C-O 3.5Å; A91-T97 WeakPolarHBondContact CA-O 3.15Å
92	D	98.4	Very high	97.9	Very high	62 Å²	62	54.6 Å²	54.6	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111	168.1	-177.6	-8.3	0	0	0	108.8	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.31Å; D92-S94 WeakPolarHBondContact OD1-CB 3.4Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 2.81Å; D92-S94 PolarHBondContact OD2-OG 2.93Å; D92-S95 WeakPolarHBondContact CB-OG 3.3Å; D92-S95 PolarHBondContact OD1-N 2.95Å; D92-S95 PolarHBondContact OD2-OG 3.46Å; D92-S96 PolarHBondContact O-N 2.92Å; D92-T97 PolarHBondContact N-O 3.41Å; D92-T97 PolarHBondContact O-N 3.1Å; D92-Y99 HydrophobicContact CB-CE2 4.1Å
93	K	97.7	Very high	98	Very high	118 Å²	118	48.9 Å²	48.9	51%	0.513	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-34.8	179.9	-63.1	174.8	178.8	174.3	0	111.8	T49 P72 S73 S96	T49-K93 HydrophobicContact CG2-CB 4.45Å; T49-K93 HydrophobicContact CG2-CD 4.33Å; T49-K93 HydrophobicContact CG2-CG 4.02Å; P72-K93 WeakPolarHBondContact O-CE 3.45Å; S73-K93 WeakPolarHBondContact O-CE 3.01Å; S73-K93 PolarHBondContact O-NZ 2.78Å; K93-S96 PolarHBondContact O-N 2.93Å
94	S	97.5	Very high	98	Very high	107 Å²	107	52.5 Å²	52.5	75%	0.748	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-38.5	-174.3	72.9	0	0	0	0	111.5	D92	D92-S94 VanDerWaalsContact C-N 3.31Å; D92-S94 WeakPolarHBondContact OD1-CB 3.4Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 2.81Å; D92-S94 PolarHBondContact OD2-OG 2.93Å
95	S	98	Very high	98.1	Very high	37 Å²	37	47.8 Å²	47.8	26%	0.259	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.5	179.4	74.6	0	0	0	0	113.8	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.3Å; D92-S95 PolarHBondContact OD1-N 2.95Å; D92-S95 PolarHBondContact OD2-OG 3.46Å; S95-T97 VanDerWaalsContact C-N 3.28Å; S95-T97 PolarHBondContact O-N 2.91Å; S95-T97 PolarHBondContact O-OG1 2.82Å; S95-T97 WeakPolarHBondContact OG-CB 3.13Å; S95-T97 PolarHBondContact OG-N 2.97Å; S95-T97 PolarHBondContact OG-OG1 2.02Å
96	S	98.3	Very high	98.1	Very high	37 Å²	37	43.6 Å²	43.6	26%	0.259	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	43.1	-168.1	-60.2	0	0	0	0	113	A43 D92 K93	A43-S96 PolarHBondContact N-O 3.01Å; A43-S96 WeakPolarHBondContact O-CB 3.45Å; D92-S96 PolarHBondContact O-N 2.92Å; K93-S96 PolarHBondContact O-N 2.93Å
97	T	98.7	Very high	98	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.9	-174.9	-50.2	0	0	0	0	111.3	C41 K42 A91 D92 S95 Y99	C41-T97 CarbonylContact O-C 3.59Å; C41-T97 WeakPolarHBondContact O-CA 3.41Å; K42-T97 HydrophobicContact CB-CG2 4.48Å; A91-T97 CarbonylContact C-O 3.5Å; A91-T97 WeakPolarHBondContact CA-O 3.15Å; D92-T97 PolarHBondContact N-O 3.41Å; D92-T97 PolarHBondContact O-N 3.1Å; S95-T97 VanDerWaalsContact C-N 3.28Å; S95-T97 PolarHBondContact O-N 2.91Å; S95-T97 PolarHBondContact O-OG1 2.82Å; S95-T97 WeakPolarHBondContact OG-CB 3.13Å; S95-T97 PolarHBondContact OG-N 2.97Å; S95-T97 PolarHBondContact OG-OG1 2.02Å; T97-Y99 HydrophobicContact CG2-CD1 4.36Å; T97-Y99 HydrophobicContact CG2-CD2 4.34Å; T97-Y99 HydrophobicContact CG2-CE1 3.78Å; T97-Y99 HydrophobicContact CG2-CE2 3.73Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.41Å
98	A	98.8	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	149	165.5	0	0	0	0	0	110.3	S40 C41 F48 M53 W55 T90	S40-A98 CarbonylContact C-O 3.56Å; S40-A98 WeakPolarHBondContact CA-O 3.42Å; C41-A98 PolarHBondContact N-O 2.8Å; C41-A98 PolarHBondContact O-N 2.71Å; F48-A98 HydrophobicContact CE2-CB 4.37Å; F48-A98 HydrophobicContact CZ-CB 4.07Å; M53-A98 HydrophobicContact CB-CB 4Å; M53-A98 HydrophobicContact CG-CB 3.59Å; W55-A98 HydrophobicContact CZ2-CB 4.31Å; T90-A98 WeakPolarHBondContact O-CA 3.31Å
99	Y	98.7	Very high	97.6	Very high	58 Å²	58	51.9 Å²	51.9	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.6	175.5	-55.7	-91.8	0	0	0	110.9	K38 L39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.39Å; K38-Y99 HydrophobicContact CG-CD1 4.31Å; L39-Y99 WeakPolarHBondContact O-CA 3.14Å; L89-Y99 WeakPolarHBondContact CA-O 3.36Å; T90-Y99 PolarHBondContact N-O 3.18Å; T90-Y99 PolarHBondContact O-N 3.49Å; D92-Y99 HydrophobicContact CB-CE2 4.1Å; T97-Y99 HydrophobicContact CG2-CD1 4.36Å; T97-Y99 HydrophobicContact CG2-CD2 4.34Å; T97-Y99 HydrophobicContact CG2-CE1 3.78Å; T97-Y99 HydrophobicContact CG2-CE2 3.73Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.41Å
100	M	98.5	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.8	166.6	176.5	177.5	68.8	0	0	108.5	K38 L39 W55 I67 T88 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.43Å; L39-M100 HydrophobicContact CD1-CE 3.68Å; L39-M100 HydrophobicContact CG-CE 4.46Å; L39-M100 PolarHBondContact N-O 2.83Å; L39-M100 PolarHBondContact O-N 3.33Å; W55-M100 HydrophobicContact CB-SD 3.89Å; W55-M100 HydrophobicContact CD2-CB 3.63Å; W55-M100 HydrophobicContact CD2-CE 4.24Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 4.02Å; W55-M100 HydrophobicContact CE3-CB 3.84Å; W55-M100 HydrophobicContact CE3-CE 3.63Å; W55-M100 HydrophobicContact CE3-SD 4.02Å; W55-M100 HydrophobicContact CG-CB 4.19Å; W55-M100 HydrophobicContact CG-SD 3.99Å; W55-M100 HydrophobicContact CH2-CB 4Å; W55-M100 HydrophobicContact CZ2-CB 3.81Å; W55-M100 HydrophobicContact CZ3-CB 4.02Å; W55-M100 HydrophobicContact CZ3-CE 4.1Å; I67-M100 HydrophobicContact CD1-CE 3.97Å; I67-M100 HydrophobicContact CD1-SD 3.57Å; I67-M100 VanDerWaalsContact CD1-SD 3.57Å; I67-M100 HydrophobicContact CG2-SD 4Å; T88-M100 WeakPolarHBondContact O-CA 2.89Å; L89-M100 HydrophobicContact CD2-CB 3.68Å; L89-M100 HydrophobicContact CD2-CG 3.61Å; L89-M100 HydrophobicContact CD2-SD 4.16Å; M100-L102 HydrophobicContact CE-CD1 3.92Å; M100-L102 HydrophobicContact CE-CD2 4.48Å; M100-L102 HydrophobicContact CE-CG 4.13Å; M100-L102 HydrophobicContact CG-CD2 4.45Å; M100-L102 HydrophobicContact CG-CG 4.33Å; M100-L102 HydrophobicContact SD-CD2 4.21Å; M100-L102 HydrophobicContact SD-CG 4.38Å; M100-Y113 HydrophobicContact CE-CD1 3.52Å; M100-Y113 HydrophobicContact CE-CE1 4.09Å; M100-Y113 HydrophobicContact CE-CG 4.02Å
101	Q	98.5	Very high	97.5	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.379	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128	168.9	-177.2	171.7	-39.2	0	0	109.2	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.51Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 3Å; A87-Q101 CarbonylContact C-O 3.56Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.42Å; T88-Q101 PolarHBondContact N-O 2.82Å; T88-Q101 PolarHBondContact O-N 3.41Å
102	L	98	Very high	97.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	171.2	-66.9	168.4	0	0	0	108.4	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.49Å; S36-L102 WeakPolarHBondContact CA-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.34Å; V37-L102 HydrophobicContact CG2-CB 4.06Å; V37-L102 HydrophobicContact CG2-CD1 4.43Å; V37-L102 PolarHBondContact N-O 3.29Å; V37-L102 PolarHBondContact O-N 3.08Å; K86-L102 WeakPolarHBondContact O-CA 3.44Å; A87-L102 HydrophobicContact CB-CD2 3.87Å; M100-L102 HydrophobicContact CE-CD1 3.92Å; M100-L102 HydrophobicContact CE-CD2 4.48Å; M100-L102 HydrophobicContact CE-CG 4.13Å; M100-L102 HydrophobicContact CG-CD2 4.45Å; M100-L102 HydrophobicContact CG-CG 4.33Å; M100-L102 HydrophobicContact SD-CD2 4.21Å; M100-L102 HydrophobicContact SD-CG 4.38Å; L102-L105 HydrophobicContact CB-CD2 3.82Å; L102-L105 HydrophobicContact CD1-CD2 4.43Å; L102-Y113 HydrophobicContact CD1-CD1 4.22Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 4.03Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.42Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.38Å
103	S	97.7	Very high	97.4	Very high	32 Å²	32	54.7 Å²	54.7	22%	0.224	30%	0.302	C	S	.	.			trans	-112.6	157.2	-179.6	33.8	0	0	0	0	112.7	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.49Å; S36-S103 WeakPolarHBondContact OG-CB 3.46Å; K86-S103 WeakPolarHBondContact CG-O 3.44Å; K86-S103 PolarHBondContact O-N 3.25Å; K86-S103 PolarHBondContact O-OG 3.19Å; S103-L105 PolarHBondContact O-N 3.4Å
104	S	97.2	Very high	97.4	Very high	83 Å²	83	53.7 Å²	53.7	58%	0.58	30%	0.296	S	S	*	.	S	Bend	trans	52.8	52.1	176.8	-55.1	0	0	0	0	112.4	A35	A35-S104 PolarHBondContact O-N 2.92Å
105	L	97.6	Very high	97.5	Very high	19 Å²	19	49.1 Å²	49.1	10%	0.099	26%	0.264	C	S	.	.			trans	-59.8	145	-174.9	-68.8	172.5	0	0	0	112.4	A31 P33 G34 A35 V37 L102 S103 D109	A31-L105 HydrophobicContact CB-CD1 3.61Å; P33-L105 CarbonylContact C-O 3.43Å; P33-L105 VanDerWaalsContact CA-O 3.29Å; P33-L105 WeakPolarHBondContact CA-O 3.43Å; G34-L105 PolarHBondContact N-O 2.83Å; A35-L105 WeakPolarHBondContact O-CG 3.39Å; A35-L105 PolarHBondContact O-N 2.88Å; V37-L105 HydrophobicContact CB-CD1 4.38Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å; V37-L105 HydrophobicContact CG2-CD1 3.93Å; V37-L105 HydrophobicContact CG2-CD2 4.46Å; L102-L105 HydrophobicContact CB-CD2 3.82Å; L102-L105 HydrophobicContact CD1-CD2 4.43Å; S103-L105 PolarHBondContact O-N 3.4Å; L105-D109 WeakPolarHBondContact CA-OD2 3.24Å; L105-D109 HydrophobicContact CD2-CB 3.66Å
106	T	96.6	Very high	97.5	Very high	58 Å²	58	49.3 Å²	49.3	36%	0.356	27%	0.267	S	S	.	.			trans	-122.3	171.9	171.5	69.1	0	0	0	0	109.7	E108 D109	T106-E108 PolarHBondContact O-N 3.34Å; T106-E108 VanDerWaalsContact O-N 3.13Å; T106-E108 PolarHBondContact OG1-N 3.27Å; T106-D109 PolarHBondContact N-OD2 2.85Å; T106-D109 WeakPolarHBondContact O-CB 3.33Å; T106-D109 PolarHBondContact O-N 3.12Å; T106-D109 PolarHBondContact OG1-OD2 3.06Å
107	Y	94.7	Very high	97.2	Very high	184 Å²	184	53 Å²	53	72%	0.722	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28	174.8	69.6	-93.3	0	0	0	112.1	D109 S110	Y107-D109 PolarHBondContact O-N 2.9Å; Y107-S110 WeakPolarHBondContact O-CB 3.31Å; Y107-S110 PolarHBondContact O-N 3.11Å
108	E	93.9	Very high	97.1	Very high	93 Å²	93	55.2 Å²	55.2	44%	0.435	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-69.7	-11.9	178.1	-58.4	-172.3	170.2	0	0	113.4	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.42Å; K57-E108 PolarHBondContact NZ-O 2.84Å; R59-E108 PolarHBondContact NE-O 2.74Å; R59-E108 PolarHBondContact NH2-O 3.35Å; T106-E108 PolarHBondContact O-N 3.34Å; T106-E108 VanDerWaalsContact O-N 3.13Å; T106-E108 PolarHBondContact OG1-N 3.27Å
109	D	95.8	Very high	97	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.059	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-89.3	-5.3	174.9	-56.7	-50.9	0	0	0	113.9	K57 K86 L105 T106 Y107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.38Å; K57-D109 PolarHBondContact NZ-OD1 3.22Å; K86-D109 WeakPolarHBondContact CE-OD1 2.99Å; K86-D109 WeakPolarHBondContact CE-OD2 3.46Å; K86-D109 IonicContact NZ-OD1 3.29Å; K86-D109 PolarHBondContact NZ-OD1 3Å; K86-D109 IonicContact NZ-OD2 2.88Å; K86-D109 PolarHBondContact NZ-OD2 3.2Å; L105-D109 WeakPolarHBondContact CA-OD2 3.24Å; L105-D109 HydrophobicContact CD2-CB 3.66Å; T106-D109 PolarHBondContact N-OD2 2.85Å; T106-D109 WeakPolarHBondContact O-CB 3.33Å; T106-D109 PolarHBondContact O-N 3.12Å; T106-D109 PolarHBondContact OG1-OD2 3.06Å; Y107-D109 PolarHBondContact O-N 2.9Å; D109-A111 PolarHBondContact O-N 3.18Å; D109-Y113 WeakPolarHBondContact O-CE2 3.44Å; D109-Y113 PolarHBondContact O-OH 3.36Å
110	S	96.6	Very high	96.9	Very high	93 Å²	93	58.1 Å²	58.1	65%	0.65	31%	0.306	S	S	*	.			trans	-64.1	104.1	170.6	-175	0	0	0	0	109.7	Y107	Y107-S110 WeakPolarHBondContact O-CB 3.31Å; Y107-S110 PolarHBondContact O-N 3.11Å
111	A	97.3	Very high	96.8	Very high	27 Å²	27	61.5 Å²	61.5	22%	0.223	32%	0.324	C	S	.	.	S	Bend	trans	-160.7	164.6	-171.2	0	0	0	0	0	110.7	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.19Å; K57-A111 HydrophobicContact CG-CB 3.55Å; Q58-A111 WeakPolarHBondContact O-CA 3.41Å; Q58-A111 VanDerWaalsContact O-CB 3.3Å; Q58-A111 WeakPolarHBondContact O-CB 3.32Å; R59-A111 HydrophobicContact CG-CB 4.12Å; D109-A111 PolarHBondContact O-N 3.18Å; A111-Y113 HydrophobicContact CB-CD2 4.36Å; A111-Y113 HydrophobicContact CB-CE2 3.84Å; A111-Y113 WeakPolarHBondContact O-CD2 3.34Å
112	V	97.5	Very high	96.7	Very high	75 Å²	75	60.3 Å²	60.3	46%	0.455	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.8	160.4	-171.8	0	0	0	0	108.1	Q58 Y114	Q58-V112 PolarHBondContact N-O 3.33Å; Q58-V112 PolarHBondContact O-N 3.34Å; V112-Y114 HydrophobicContact CB-CE2 3.92Å; V112-Y114 HydrophobicContact CG1-CD1 4.36Å; V112-Y114 HydrophobicContact CG1-CD2 4.24Å; V112-Y114 HydrophobicContact CG1-CE1 3.74Å; V112-Y114 HydrophobicContact CG1-CE2 3.59Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.48Å
113	Y	98.1	Very high	96.7	Very high	26 Å²	26	64.3 Å²	64.3	10%	0.102	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.1	177.1	-70.4	-87.7	0	0	0	108.8	Q25 L39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.23Å; L39-Y113 VanDerWaalsContact CD1-CB 3.49Å; L39-Y113 HydrophobicContact CD1-CD2 4.08Å; L39-Y113 HydrophobicContact CD1-CG 3.81Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.5Å; K57-Y113 HydrophobicContact CB-CD1 4.13Å; K57-Y113 HydrophobicContact CB-CE1 3.92Å; K57-Y113 HydrophobicContact CD-CE1 3.96Å; K57-Y113 WeakPolarHBondContact CE-OH 3.2Å; K57-Y113 HydrophobicContact CG-CD1 4.25Å; K57-Y113 HydrophobicContact CG-CE1 3.74Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.72Å; M100-Y113 HydrophobicContact CE-CD1 3.52Å; M100-Y113 HydrophobicContact CE-CE1 4.09Å; M100-Y113 HydrophobicContact CE-CG 4.02Å; L102-Y113 HydrophobicContact CD1-CD1 4.22Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 4.03Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.42Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.38Å; D109-Y113 WeakPolarHBondContact O-CE2 3.44Å; D109-Y113 PolarHBondContact O-OH 3.36Å; A111-Y113 HydrophobicContact CB-CD2 4.36Å; A111-Y113 HydrophobicContact CB-CE2 3.84Å; A111-Y113 WeakPolarHBondContact O-CD2 3.34Å
114	Y	98.3	Very high	96.6	Very high	97 Å²	97	66.6 Å²	66.6	38%	0.38	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.6	-178.8	-61.6	-78.2	0	0	0	110.3	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.29Å; V56-Y114 PolarHBondContact N-O 3.45Å; V56-Y114 PolarHBondContact O-N 2.97Å; Q58-Y114 HydrophobicContact CB-CD2 4.45Å; Q58-Y114 HydrophobicContact CB-CE2 3.88Å; Q58-Y114 PolarHBondContact OE1-OH 3.44Å; V112-Y114 HydrophobicContact CB-CE2 3.92Å; V112-Y114 HydrophobicContact CG1-CD1 4.36Å; V112-Y114 HydrophobicContact CG1-CD2 4.24Å; V112-Y114 HydrophobicContact CG1-CE1 3.74Å; V112-Y114 HydrophobicContact CG1-CE2 3.59Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.48Å
115	C	98.3	Very high	96.5	Very high	12 Å²	12	65.3 Å²	65.3	8%	0.081	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.2	159.2	64.9	0	0	0	0	110.4	Q25 C41 M53 H54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.29Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.49Å; C41-C115 WeakPolarHBondContact SG-CB 3.38Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.94Å; M53-C115 HydrophobicContact CG-CB 4.42Å; M53-C115 HydrophobicContact SD-CB 3.76Å; H54-C115 CarbonylContact O-C 3.59Å; H54-C115 VanDerWaalsContact O-CA 3.29Å; H54-C115 WeakPolarHBondContact O-CA 3.5Å; W55-C115 HydrophobicContact CD2-CB 4.43Å; W55-C115 HydrophobicContact CE3-CB 4.29Å; W55-C115 HydrophobicContact CH2-CB 4.3Å; W55-C115 HydrophobicContact CZ2-CB 4.41Å; W55-C115 HydrophobicContact CZ3-CB 4.23Å
116	A	97.9	Very high	96.4	Very high	40 Å²	40	69.2 Å²	69.2	33%	0.331	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.4	177.5	0	0	0	0	0	110.3	M53 H54	M53-A116 CarbonylContact C-O 3.58Å; H54-A116 HydrophobicContact CB-CB 4.42Å; H54-A116 PolarHBondContact N-O 3.27Å; H54-A116 PolarHBondContact O-N 2.94Å
117	R	92.5	Very high	96.4	Very high	114 Å²	114	70.2 Å²	70.2	43%	0.43	35%	0.352	S	S	.	.			trans	-109.5	0	170.4	77.8	171.4	-163.3	167.8	5.1	110.9	V21 Y46 W52	V21-R117 VanDerWaalsContact CG1-CZ 3.41Å; V21-R117 VanDerWaalsContact CG2-NH1 3.26Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.3Å; W52-R117 WeakPolarHBondContact O-CA 3.44Å

Retrieved 117 of 117 residues in 172.7 ms (Link to these results)

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