A0A087WYE8_HUMAN Loading...

Immunoglobulin heavy variable 1/OR21-1 (non-functional)

AlphaFold DB , UniProt , Accession A0A087WYE8, Species HUMAN (Homo sapiens, Human), Gene IGHV1OR21-1, Length 117 aa.

						>A0A087WYE8_HUMAN|A0A087WYE8|IGHV1OR21-1
MDWNWRILFLVVIAAGAQSQVQLVQSGAEVKKPGASVKVSCKASGYTITSYCMHWVHQVHAQGLEWMGLVCPSDGSTSYAQKFQARVTITRDTSMSTAYMELSSLRSEDTAMYYCVR
					

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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	46.8	Very low	61.7	Low	225 Å²	225	172 Å²	172	100%	1.108	81%	0.808	S	S	*	*				0	76.9	0	-88.3	158.8	55.8	0	0	105
2	D	48.1	Very low	62.6	Low	158 Å²	158	168.3 Å²	168.3	85%	0.845	81%	0.805	S	S	*	*			trans	-137.1	88.1	-164.3	-51.9	-69	0	0	0	108.3	N4	D2-N4 PolarHBondContact O-N 2.9Å
3	W	57.2	Low	63.5	Low	227 Å²	227	166.8 Å²	166.8	86%	0.86	80%	0.802	S	S	*	*			trans	-74.9	95.9	179.7	-175.5	-75.5	0	0	0	109.1	W5	W3-W5 PolarHBondContact O-N 3.4Å
4	N	53.2	Low	64	Low	152 Å²	152	161.6 Å²	161.6	81%	0.813	80%	0.8	S	S	*	*			trans	-81.5	91.2	178.5	-134.4	0.5	0	0	0	109.5	D2	D2-N4 PolarHBondContact O-N 2.9Å
5	W	63.3	Low	64.5	Low	181 Å²	181	156.9 Å²	156.9	69%	0.686	80%	0.797	S	S	*	*			trans	-100.1	94.9	173.2	177.3	-95.8	0	0	0	109.6	W3 I7	W3-W5 PolarHBondContact O-N 3.4Å; W5-I7 HydrophobicContact CG-CG1 4.39Å; W5-I7 HydrophobicContact CZ2-CG1 4.11Å
6	R	63.7	Low	64.4	Low	227 Å²	227	151.2 Å²	151.2	86%	0.857	79%	0.789	S	S	*	*			trans	-88.7	108.7	162.6	-72.4	-160	171.9	-156	-0.8	108.5	L8	R6-L8 PolarHBondContact O-N 3.26Å
7	I	68.9	Low	64.6	Low	94 Å²	94	148.5 Å²	148.5	48%	0.482	79%	0.794	S	S	.	*			trans	-72.6	117.8	168.8	-56.5	174.6	0	0	0	108.2	W5 F9	W5-I7 HydrophobicContact CG-CG1 4.39Å; W5-I7 HydrophobicContact CZ2-CG1 4.11Å; I7-F9 HydrophobicContact CB-CD2 4.4Å; I7-F9 HydrophobicContact CB-CE2 4.28Å; I7-F9 HydrophobicContact CD1-CE2 4.47Å; I7-F9 HydrophobicContact CG2-CD2 3.54Å; I7-F9 HydrophobicContact CG2-CE2 3.49Å; I7-F9 VanDerWaalsContact CG2-CE2 3.49Å; I7-F9 HydrophobicContact CG2-CG 4.22Å; I7-F9 HydrophobicContact CG2-CZ 4.12Å
8	L	67.4	Low	64.6	Low	160 Å²	160	150.3 Å²	150.3	84%	0.838	80%	0.797	S	S	*	*			trans	-89.1	111.6	159.9	-77.1	163	0	0	0	107.9	R6	R6-L8 PolarHBondContact O-N 3.26Å
9	F	66.7	Low	65.2	Low	181 Å²	181	147.2 Å²	147.2	79%	0.794	79%	0.788	S	S	*	*			trans	-83.7	111.9	167.2	-83.7	-84.4	0	0	0	108.9	I7	I7-F9 HydrophobicContact CB-CD2 4.4Å; I7-F9 HydrophobicContact CB-CE2 4.28Å; I7-F9 HydrophobicContact CD1-CE2 4.47Å; I7-F9 HydrophobicContact CG2-CD2 3.54Å; I7-F9 HydrophobicContact CG2-CE2 3.49Å; I7-F9 VanDerWaalsContact CG2-CE2 3.49Å; I7-F9 HydrophobicContact CG2-CG 4.22Å; I7-F9 HydrophobicContact CG2-CZ 4.12Å
10	L	68.2	Low	66.5	Low	162 Å²	162	146.7 Å²	146.7	85%	0.848	78%	0.781	S	S	*	*			trans	-90.7	111.1	166.3	-70.5	170.4	0	0	0	108.3
11	V	75.1	Confident	67.7	Low	125 Å²	125	142.7 Å²	142.7	76%	0.758	76%	0.762	S	S	*	*			trans	-85.1	111.4	168.9	178.2	0	0	0	0	107.8	I13	V11-I13 HydrophobicContact CG1-CG1 4.33Å
12	V	72.9	Confident	70	Confident	128 Å²	128	136.2 Å²	136.2	78%	0.776	73%	0.729	S	S	*	*			trans	-88.3	109.4	170.2	-179.8	0	0	0	0	107.9	A14	V12-A14 PolarHBondContact O-N 3.16Å
13	I	74.2	Confident	72.4	Confident	149 Å²	149	131.2 Å²	131.2	76%	0.764	70%	0.702	S	S	*	*			trans	-79.2	101.8	169.5	-58	176.4	0	0	0	107.1	V11 A15	V11-I13 HydrophobicContact CG1-CG1 4.33Å; I13-A15 PolarHBondContact O-N 2.66Å; I13-A15 VanDerWaalsContact O-N 3.08Å
14	A	69.8	Low	74.3	Confident	94 Å²	94	124.4 Å²	124.4	78%	0.777	69%	0.685	S	S	*	*			trans	-75	92.1	166.2	0	0	0	0	0	108.3	V12 G16	V12-A14 PolarHBondContact O-N 3.16Å; A14-G16 PolarHBondContact O-N 2.84Å
15	A	71.5	Confident	76.5	Confident	91 Å²	91	119.9 Å²	119.9	75%	0.752	66%	0.659	S	S	*	*			trans	-70.6	95.9	167.6	0	0	0	0	0	108.1	I13 A17	I13-A15 PolarHBondContact O-N 2.66Å; I13-A15 VanDerWaalsContact O-N 3.08Å; A15-A17 PolarHBondContact O-N 3.2Å
16	G	64	Low	78.1	Confident	65 Å²	65	113.3 Å²	113.3	67%	0.67	64%	0.641	S	S	*	*			trans	-59.6	119.7	167.3	0	0	0	0	0	109.1	A14 Q18	A14-G16 PolarHBondContact O-N 2.84Å; G16-Q18 VanDerWaalsContact C-N 3.28Å; G16-Q18 PolarHBondContact O-N 3.27Å
17	A	68	Low	79.7	Confident	106 Å²	106	105.5 Å²	105.5	88%	0.876	63%	0.631	S	S	*	*			trans	-73	82.1	176.9	0	0	0	0	0	109.9	A15 S19	A15-A17 PolarHBondContact O-N 3.2Å; A17-S19 PolarHBondContact O-N 2.78Å
18	Q	63.6	Low	81	Confident	181 Å²	181	106.4 Å²	106.4	85%	0.846	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-74.6	117.1	164	-68	-67	-30.7	0	0	107.6	G16 Q20	G16-Q18 VanDerWaalsContact C-N 3.28Å; G16-Q18 PolarHBondContact O-N 3.27Å; Q18-Q20 PolarHBondContact O-N 2.97Å
19	S	76.4	Confident	82.4	Confident	90 Å²	90	103 Å²	103	63%	0.629	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-74.8	117.5	175.1	-159.7	0	0	0	0	109	A17 V21 G45	A17-S19 PolarHBondContact O-N 2.78Å; S19-V21 PolarHBondContact O-N 2.8Å; S19-G45 WeakPolarHBondContact OG-CA 3.39Å
20	Q	90.4	Very high	83.8	Confident	138 Å²	138	101.5 Å²	101.5	65%	0.645	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-75.2	125.9	176	-170.6	-176.4	25.2	0	0	109.6	Q18 Q22	Q18-Q20 PolarHBondContact O-N 2.97Å; Q20-Q22 HydrophobicContact CG-CG 4.23Å; Q20-Q22 PolarHBondContact O-N 3.42Å
21	V	92.2	Very high	85.2	Confident	63 Å²	63	98.4 Å²	98.4	38%	0.382	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-69.4	127.2	170.3	175.1	0	0	0	0	109.2	S19 S44 Y46	S19-V21 PolarHBondContact O-N 2.8Å; V21-S44 WeakPolarHBondContact CA-O 3.4Å; V21-Y46 HydrophobicContact CG1-CD1 3.79Å; V21-Y46 HydrophobicContact CG1-CE1 4.03Å; V21-Y46 HydrophobicContact CG2-CD1 4.41Å
22	Q	96.1	Very high	86.2	Confident	88 Å²	88	100.6 Å²	100.6	41%	0.411	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.3	142.7	177.1	-62.4	-178.6	-13	0	0	111	Q20 S44	Q20-Q22 HydrophobicContact CG-CG 4.23Å; Q20-Q22 PolarHBondContact O-N 3.42Å; Q22-S44 PolarHBondContact N-O 3.37Å; Q22-S44 PolarHBondContact O-N 3.3Å
23	L	97.3	Very high	87.3	Confident	54 Å²	54	99.8 Å²	99.8	28%	0.283	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.2	116.8	169.2	-63.7	-177.3	0	0	0	107.7	K42 A43 Y46 M53 C115 R117	L23-K42 WeakPolarHBondContact CA-O 3.28Å; L23-A43 HydrophobicContact CD2-CB 3.95Å; L23-Y46 HydrophobicContact CD2-CE1 4.09Å; L23-M53 HydrophobicContact CD1-SD 3.96Å; L23-M53 HydrophobicContact CD2-CE 3.68Å; L23-M53 HydrophobicContact CD2-SD 4.2Å; L23-C115 WeakPolarHBondContact CD1-O 3.39Å; L23-R117 HydrophobicContact CD1-CB 4.33Å
24	V	97.8	Very high	88.4	Confident	83 Å²	83	95.3 Å²	95.3	50%	0.503	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	120	-177.5	-178.2	0	0	0	0	109.3	C41 K42	V24-C41 WeakPolarHBondContact O-CA 3.41Å; V24-K42 PolarHBondContact N-O 3Å; V24-K42 PolarHBondContact O-N 3.49Å
25	Q	98.5	Very high	89.7	Confident	58 Å²	58	92.5 Å²	92.5	27%	0.271	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	157.4	-179.4	-71.2	-179.6	-113.2	0	0	113	V39 S40 C41 Y113 C115	Q25-V39 HydrophobicContact CB-CG1 4.45Å; Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 WeakPolarHBondContact CA-O 3.43Å; Q25-C41 HydrophobicContact CG-CB 4.14Å; Q25-Y113 PolarHBondContact NE2-O 3.45Å; Q25-Y113 PolarHBondContact OE1-O 2.73Å; Q25-C115 WeakPolarHBondContact CG-SG 3.26Å; Q25-C115 VanDerWaalsContact OE1-N 3.11Å
26	S	97.7	Very high	91	Very high	42 Å²	42	90.5 Å²	90.5	29%	0.294	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-60.8	156.7	166.8	51.7	0	0	0	0	111.1	V39 S40	S26-V39 WeakPolarHBondContact OG-CA 3.45Å; S26-S40 WeakPolarHBondContact CB-OG 3.4Å; S26-S40 PolarHBondContact N-O 2.79Å; S26-S40 PolarHBondContact OG-N 2.85Å; S26-S40 VanDerWaalsContact OG-N 3.1Å
27	G	97.2	Very high	92.6	Very high	63 Å²	63	88.1 Å²	88.1	65%	0.649	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-65.5	171.6	-178.3	0	0	0	0	0	114.1
28	A	96.6	Very high	94	Very high	113 Å²	113	88 Å²	88	93%	0.934	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-65	142	176.2	0	0	0	0	0	111.5
29	E	96.6	Very high	95.6	Very high	89 Å²	89	79.9 Å²	79.9	42%	0.416	48%	0.477	S	S	.	.			trans	-126.7	138.7	177.9	-66.1	-170.1	-108.3	0	0	110.7	K31 V37	E29-K31 WeakPolarHBondContact OE2-CE 2.91Å; E29-K31 IonicContact OE2-NZ 2.66Å; E29-K31 PolarHBondContact OE2-NZ 3.44Å; E29-V37 HydrophobicContact CB-CG2 4.24Å; E29-V37 WeakPolarHBondContact OE1-CG2 3.44Å
30	V	96.2	Very high	96.7	Very high	150 Å²	150	77.3 Å²	77.3	91%	0.909	46%	0.459	S	S	*	.			trans	-104	122.5	168.8	-179	0	0	0	0	107.8
31	K	96.8	Very high	97.1	Very high	97 Å²	97	70.7 Å²	70.7	42%	0.422	43%	0.428	S	S	.	.			trans	-123.5	155.8	-177.7	-64.2	-64.5	-172.4	-170.2	0	111.2	E29 A35 S36 V37 L105	E29-K31 WeakPolarHBondContact OE2-CE 2.91Å; E29-K31 IonicContact OE2-NZ 2.66Å; E29-K31 PolarHBondContact OE2-NZ 3.44Å; K31-A35 HydrophobicContact CB-CB 4.37Å; K31-S36 WeakPolarHBondContact CE-O 3.44Å; K31-V37 HydrophobicContact CG-CB 4.35Å; K31-L105 HydrophobicContact CB-CD1 3.6Å; K31-L105 HydrophobicContact CG-CD1 3.88Å
32	K	96.3	Very high	97.3	Very high	171 Å²	171	73.3 Å²	73.3	74%	0.743	43%	0.434	S	S	*	.			trans	-79	150.9	170	-64.2	-178.6	-179.2	179.5	0	109.9	A35	K32-A35 VanDerWaalsContact O-CB 3.26Å; K32-A35 WeakPolarHBondContact O-CB 3.46Å; K32-A35 PolarHBondContact O-N 2.71Å
33	P	96.3	Very high	97.4	Very high	111 Å²	111	69.3 Å²	69.3	72%	0.721	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	141.8	168.7	-25.5	34.7	0	0	0	111.8	A35 L105	P33-A35 VanDerWaalsContact C-N 3.27Å; P33-A35 PolarHBondContact O-N 2.95Å; P33-L105 CarbonylContact C-O 3.56Å; P33-L105 WeakPolarHBondContact CA-O 3.3Å
34	G	97.2	Very high	97.4	Very high	54 Å²	54	69 Å²	69	56%	0.557	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-14.6	-177.1	0	0	0	0	0	115.4	L105	G34-L105 PolarHBondContact N-O 3.3Å
35	A	98.1	Very high	97.2	Very high	35 Å²	35	66.6 Å²	66.6	29%	0.289	41%	0.41	S	S	.	.			trans	-73.6	177.5	174.6	0	0	0	0	0	112.1	K31 K32 P33 S104 L105	K31-A35 HydrophobicContact CB-CB 4.37Å; K32-A35 VanDerWaalsContact O-CB 3.26Å; K32-A35 WeakPolarHBondContact O-CB 3.46Å; K32-A35 PolarHBondContact O-N 2.71Å; P33-A35 VanDerWaalsContact C-N 3.27Å; P33-A35 PolarHBondContact O-N 2.95Å; A35-S104 PolarHBondContact O-N 2.84Å; A35-L105 WeakPolarHBondContact O-CB 3.49Å; A35-L105 VanDerWaalsContact O-CG 3.3Å; A35-L105 WeakPolarHBondContact O-CG 2.98Å; A35-L105 PolarHBondContact O-N 3.28Å
36	S	97.6	Very high	97	Very high	49 Å²	49	65.7 Å²	65.7	34%	0.343	40%	0.404	S	S	.	.			trans	-111.9	153.6	170.1	-56.4	0	0	0	0	111.4	K31 L102 S103	K31-S36 WeakPolarHBondContact CE-O 3.44Å; S36-L102 VanDerWaalsContact CA-O 3.28Å; S36-L102 WeakPolarHBondContact CA-O 3.15Å; S36-S103 WeakPolarHBondContact OG-CA 2.99Å
37	V	97.4	Very high	96.8	Very high	16 Å²	16	67.9 Å²	67.9	10%	0.097	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.8	170	63.2	0	0	0	0	109.3	E29 K31 V39 E101 L102 L105	E29-V37 HydrophobicContact CB-CG2 4.24Å; E29-V37 WeakPolarHBondContact OE1-CG2 3.44Å; K31-V37 HydrophobicContact CG-CB 4.35Å; V37-V39 HydrophobicContact CG2-CG2 4.45Å; V37-E101 CarbonylContact O-C 3.58Å; V37-E101 VanDerWaalsContact O-CA 3.27Å; V37-E101 WeakPolarHBondContact O-CA 3.29Å; V37-L102 HydrophobicContact CG1-CB 4.07Å; V37-L102 PolarHBondContact N-O 2.91Å; V37-L102 PolarHBondContact O-N 3.02Å; V37-L105 HydrophobicContact CB-CD1 4.08Å; V37-L105 HydrophobicContact CG1-CD1 4.05Å; V37-L105 HydrophobicContact CG1-CD2 3.98Å; V37-L105 HydrophobicContact CG1-CG 4.47Å
38	K	97.7	Very high	96.8	Very high	102 Å²	102	65 Å²	65	44%	0.443	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.3	178.8	-175.9	175.6	-177.7	175.7	0	109.9	M100 E101	K38-M100 CarbonylContact C-O 3.55Å; K38-M100 WeakPolarHBondContact CA-O 3.43Å; K38-E101 HydrophobicContact CB-CB 4.46Å; K38-E101 HydrophobicContact CB-CG 4.46Å; K38-E101 HydrophobicContact CG-CB 4.41Å
39	V	98	Very high	96.8	Very high	12 Å²	12	62.4 Å²	62.4	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.3	179.2	-172.2	0	0	0	0	109.1	Q25 S26 V37 W55 Y99 M100	Q25-V39 HydrophobicContact CB-CG1 4.45Å; S26-V39 WeakPolarHBondContact OG-CA 3.45Å; V37-V39 HydrophobicContact CG2-CG2 4.45Å; V39-W55 HydrophobicContact CB-CH2 3.99Å; V39-W55 HydrophobicContact CB-CZ3 3.85Å; V39-W55 HydrophobicContact CG1-CH2 3.85Å; V39-W55 HydrophobicContact CG1-CZ3 3.65Å; V39-W55 WeakPolarHBondContact O-CH2 3.31Å; V39-Y99 CarbonylContact O-C 3.52Å; V39-Y99 VanDerWaalsContact O-CA 3.27Å; V39-Y99 WeakPolarHBondContact O-CA 3.38Å; V39-M100 HydrophobicContact CB-CE 4.33Å; V39-M100 HydrophobicContact CG2-CE 3.94Å; V39-M100 PolarHBondContact N-O 3.04Å; V39-M100 PolarHBondContact O-N 3.26Å
40	S	98.4	Very high	96.8	Very high	35 Å²	35	61.5 Å²	61.5	25%	0.245	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148	169.4	65.6	0	0	0	0	110.3	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 WeakPolarHBondContact CA-O 3.43Å; S26-S40 WeakPolarHBondContact CB-OG 3.4Å; S26-S40 PolarHBondContact N-O 2.79Å; S26-S40 PolarHBondContact OG-N 2.85Å; S26-S40 VanDerWaalsContact OG-N 3.1Å; S40-A98 CarbonylContact C-O 3.55Å
41	C	98.5	Very high	96.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	108.8	171.2	176.1	0	0	0	0	110	V24 Q25 W55 T97 A98 C115	V24-C41 WeakPolarHBondContact O-CA 3.41Å; Q25-C41 HydrophobicContact CG-CB 4.14Å; C41-W55 HydrophobicContact CB-CH2 3.75Å; C41-W55 HydrophobicContact CB-CZ2 3.92Å; C41-T97 CarbonylContact O-C 3.59Å; C41-T97 VanDerWaalsContact O-CA 3.32Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; C41-A98 PolarHBondContact N-O 3.21Å; C41-A98 PolarHBondContact O-N 2.77Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.36Å; C41-C115 WeakPolarHBondContact SG-CB 3.43Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.9Å
42	K	98.2	Very high	96.8	Very high	118 Å²	118	57 Å²	57	51%	0.513	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126	-179.4	-172.9	172.9	-175.1	178.1	0	110.6	L23 V24 S96	L23-K42 WeakPolarHBondContact CA-O 3.28Å; V24-K42 PolarHBondContact N-O 3Å; V24-K42 PolarHBondContact O-N 3.49Å; K42-S96 CarbonylContact C-O 3.57Å; K42-S96 WeakPolarHBondContact CA-O 3.48Å
43	A	97.7	Very high	96.9	Very high	4 Å²	4	49 Å²	49	3%	0.033	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.3	177.1	0	0	0	0	0	111.7	L23 Y46 I48 M53 S96	L23-A43 HydrophobicContact CD2-CB 3.95Å; A43-Y46 HydrophobicContact CB-CD1 4.43Å; A43-Y46 HydrophobicContact CB-CE1 3.5Å; A43-Y46 WeakPolarHBondContact CB-OH 3.27Å; A43-I48 HydrophobicContact CB-CB 4.3Å; A43-I48 HydrophobicContact CB-CD1 4.13Å; A43-I48 HydrophobicContact CB-CG1 4.23Å; A43-M53 HydrophobicContact CB-CE 4.46Å; A43-S96 PolarHBondContact N-O 3.15Å; A43-S96 WeakPolarHBondContact O-CB 3.35Å
44	S	96.2	Very high	97	Very high	48 Å²	48	46.6 Å²	46.6	34%	0.336	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.1	168.4	56	0	0	0	0	111.3	V21 Q22 Y46	V21-S44 WeakPolarHBondContact CA-O 3.4Å; Q22-S44 PolarHBondContact N-O 3.37Å; Q22-S44 PolarHBondContact O-N 3.3Å; S44-Y46 VanDerWaalsContact C-N 3.28Å; S44-Y46 PolarHBondContact O-N 3.01Å
45	G	94.6	Very high	97.1	Very high	31 Å²	31	44 Å²	44	32%	0.32	25%	0.25	S	C	.	.	S	Bend	trans	81.7	1.5	-176.1	0	0	0	0	0	115	S19	S19-G45 WeakPolarHBondContact OG-CA 3.39Å
46	Y	93.3	Very high	97	Very high	39 Å²	39	43.4 Å²	43.4	15%	0.153	24%	0.243	C	C	.	.	S	Bend	trans	-156.6	165.6	171	74.3	-74.3	0	0	0	110.5	V21 L23 A43 S44 Y51 M53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.79Å; V21-Y46 HydrophobicContact CG1-CE1 4.03Å; V21-Y46 HydrophobicContact CG2-CD1 4.41Å; L23-Y46 HydrophobicContact CD2-CE1 4.09Å; A43-Y46 HydrophobicContact CB-CD1 4.43Å; A43-Y46 HydrophobicContact CB-CE1 3.5Å; A43-Y46 WeakPolarHBondContact CB-OH 3.27Å; S44-Y46 VanDerWaalsContact C-N 3.28Å; S44-Y46 PolarHBondContact O-N 3.01Å; Y46-Y51 AromaticContact CD2-CD2 3.87Å; Y46-Y51 HydrophobicContact CD2-CD2 3.87Å; Y46-Y51 HydrophobicContact CD2-CE2 4.41Å; Y46-Y51 HydrophobicContact CE2-CD2 4.07Å; Y46-M53 WeakPolarHBondContact OH-CE 3.15Å; Y46-R117 HydrophobicContact CE2-CG 4.29Å
47	T	94.5	Very high	96.9	Very high	89 Å²	89	41.3 Å²	41.3	55%	0.546	23%	0.228	S	C	.	.			trans	-78.1	120.6	172.7	-52	0	0	0	0	109.5	T49 S50	T47-T49 VanDerWaalsContact CG2-OG1 3.27Å; T47-T49 WeakPolarHBondContact CG2-OG1 3.44Å; T47-T49 PolarHBondContact O-N 3.1Å; T47-S50 VanDerWaalsContact O-CB 3.28Å; T47-S50 WeakPolarHBondContact O-CB 3.45Å; T47-S50 PolarHBondContact O-N 2.8Å; T47-S50 PolarHBondContact O-OG 2.93Å
48	I	96.4	Very high	96.8	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-56.1	-26.7	-175.3	-168.8	162.9	0	0	0	113.6	A43 S50 M53 P72 T93 S96	A43-I48 HydrophobicContact CB-CB 4.3Å; A43-I48 HydrophobicContact CB-CD1 4.13Å; A43-I48 HydrophobicContact CB-CG1 4.23Å; I48-S50 VanDerWaalsContact C-N 3.26Å; I48-S50 PolarHBondContact O-N 2.94Å; I48-M53 HydrophobicContact CD1-CE 4.5Å; I48-P72 HydrophobicContact CG1-CB 4.05Å; I48-P72 HydrophobicContact CG1-CG 3.83Å; I48-P72 HydrophobicContact CG2-CB 4.38Å; I48-P72 WeakPolarHBondContact O-CB 3.36Å; I48-P72 WeakPolarHBondContact O-CG 3.42Å; I48-T93 HydrophobicContact CG2-CG2 4.23Å; I48-S96 WeakPolarHBondContact CD1-O 3.39Å
49	T	97.4	Very high	96.5	Very high	57 Å²	57	40.2 Å²	40.2	35%	0.35	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-76.6	-8.1	178.4	59.3	0	0	0	0	114.2	T47 Y51 P72 T93	T47-T49 VanDerWaalsContact CG2-OG1 3.27Å; T47-T49 WeakPolarHBondContact CG2-OG1 3.44Å; T47-T49 PolarHBondContact O-N 3.1Å; T49-Y51 VanDerWaalsContact C-N 3.33Å; T49-P72 HydrophobicContact CG2-CB 4.36Å; T49-T93 HydrophobicContact CG2-CG2 3.72Å
50	S	96.4	Very high	95.9	Very high	70 Å²	70	48.1 Å²	48.1	49%	0.49	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-75.8	-18.1	-179.8	-60.7	0	0	0	0	113.9	T47 I48	T47-S50 VanDerWaalsContact O-CB 3.28Å; T47-S50 WeakPolarHBondContact O-CB 3.45Å; T47-S50 PolarHBondContact O-N 2.8Å; T47-S50 PolarHBondContact O-OG 2.93Å; I48-S50 VanDerWaalsContact C-N 3.26Å; I48-S50 PolarHBondContact O-N 2.94Å
51	Y	95.8	Very high	95.1	Very high	114 Å²	114	51 Å²	51	45%	0.447	29%	0.287	S	S	.	.	S	Bend	trans	-147.6	147.4	-175.1	-62.3	-83.8	0	0	0	110.9	Y46 T49 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.87Å; Y46-Y51 HydrophobicContact CD2-CD2 3.87Å; Y46-Y51 HydrophobicContact CD2-CE2 4.41Å; Y46-Y51 HydrophobicContact CE2-CD2 4.07Å; T49-Y51 VanDerWaalsContact C-N 3.33Å; Y51-P72 WeakPolarHBondContact O-CD 3.5Å; Y51-R117 VanDerWaalsContact CB-CG 3.41Å; Y51-R117 HydrophobicContact CD1-CG 4.36Å; Y51-R117 HydrophobicContact CD2-CG 4.03Å; Y51-R117 VanDerWaalsContact CD2-NH1 3.29Å; Y51-R117 HydrophobicContact CG-CG 3.68Å
52	C	98	Very high	94.4	Very high	40 Å²	40	57.4 Å²	57.4	27%	0.27	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.5	143.1	170.2	-50.4	0	0	0	0	110.3	L69 V70 C71	C52-L69 HydrophobicContact CB-CD1 4.37Å; C52-V70 CarbonylContact C-O 3.42Å; C52-V70 WeakPolarHBondContact CA-O 3.32Å; C52-C71 HydrophobicContact CB-CB 4.04Å; C52-C71 WeakPolarHBondContact CB-SG 3.31Å; C52-C71 WeakPolarHBondContact SG-CB 3.42Å; C52-C71 CovalentContact SG-SG 2.05Å; C52-C71 PolarHBondContact SG-SG 3.08Å
53	M	98.1	Very high	94	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.9	175.9	-170.1	74.6	70.4	0	0	108.9	L23 A43 Y46 I48 L69 V70 A98 C115 V116	L23-M53 HydrophobicContact CD1-SD 3.96Å; L23-M53 HydrophobicContact CD2-CE 3.68Å; L23-M53 HydrophobicContact CD2-SD 4.2Å; A43-M53 HydrophobicContact CB-CE 4.46Å; Y46-M53 WeakPolarHBondContact OH-CE 3.15Å; I48-M53 HydrophobicContact CD1-CE 4.5Å; M53-L69 CarbonylContact O-C 3.56Å; M53-L69 WeakPolarHBondContact O-CA 3.34Å; M53-L69 WeakPolarHBondContact O-CB 3.37Å; M53-V70 HydrophobicContact CB-CG1 4.2Å; M53-V70 PolarHBondContact N-O 2.99Å; M53-V70 PolarHBondContact O-N 2.87Å; M53-A98 HydrophobicContact CB-CB 4.31Å; M53-A98 HydrophobicContact CG-CB 4.1Å; M53-C115 HydrophobicContact CG-CB 4.16Å; M53-C115 HydrophobicContact SD-CB 3.88Å; M53-V116 CarbonylContact C-O 3.57Å
54	H	98.3	Very high	93.8	Very high	61 Å²	61	58.8 Å²	58.8	28%	0.282	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.7	176	-66.5	-105.5	0	0	0	110.5	W66 L69 C115 V116	H54-W66 AromaticContact ND1-CD1 3.94Å; H54-W66 AromaticContact ND1-NE1 3.24Å; H54-W66 PolarHBondContact ND1-NE1 2.95Å; H54-L69 VanDerWaalsContact CE1-CD2 3.47Å; H54-L69 WeakPolarHBondContact CE1-CD2 3.33Å; H54-C115 CarbonylContact O-C 3.54Å; H54-C115 VanDerWaalsContact O-CA 3.32Å; H54-C115 WeakPolarHBondContact O-CA 3.1Å; H54-V116 HydrophobicContact CB-CB 4.42Å; H54-V116 PolarHBondContact N-O 2.05Å; H54-V116 PolarHBondContact O-N 2.99Å
55	W	98.4	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130	171.4	-70	89.6	0	0	0	109.5	V39 C41 M67 G68 I89 A98 M100 Y114 C115	V39-W55 HydrophobicContact CB-CH2 3.99Å; V39-W55 HydrophobicContact CB-CZ3 3.85Å; V39-W55 HydrophobicContact CG1-CH2 3.85Å; V39-W55 HydrophobicContact CG1-CZ3 3.65Å; V39-W55 WeakPolarHBondContact O-CH2 3.31Å; C41-W55 HydrophobicContact CB-CH2 3.75Å; C41-W55 HydrophobicContact CB-CZ2 3.92Å; W55-M67 HydrophobicContact CB-CB 4.3Å; W55-M67 PolarHBondContact O-N 3.31Å; W55-G68 PolarHBondContact N-O 2.66Å; W55-I89 HydrophobicContact CG-CD1 4.39Å; W55-A98 HydrophobicContact CZ2-CB 4.42Å; W55-M100 HydrophobicContact CD2-CB 3.4Å; W55-M100 HydrophobicContact CD2-CG 4.03Å; W55-M100 VanDerWaalsContact CE2-CB 3.44Å; W55-M100 HydrophobicContact CE3-CB 3.64Å; W55-M100 HydrophobicContact CE3-CE 4.21Å; W55-M100 HydrophobicContact CE3-CG 4.22Å; W55-M100 HydrophobicContact CG-CB 3.92Å; W55-M100 HydrophobicContact CG-CG 4.16Å; W55-M100 HydrophobicContact CH2-CB 3.9Å; W55-M100 HydrophobicContact CZ2-CB 3.7Å; W55-M100 HydrophobicContact CZ3-CB 3.88Å; W55-M100 HydrophobicContact CZ3-CE 4.46Å; W55-Y114 WeakPolarHBondContact CA-O 3.14Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.23Å; W55-C115 HydrophobicContact CH2-CB 4.14Å; W55-C115 HydrophobicContact CZ2-CB 4.25Å; W55-C115 HydrophobicContact CZ3-CB 4.1Å
56	V	97.2	Very high	93.8	Very high	23 Å²	23	61.9 Å²	61.9	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.4	-177.5	-176.9	0	0	0	0	107.4	L64 E65 Y114 V116	V56-L64 HydrophobicContact CG1-CB 3.82Å; V56-L64 HydrophobicContact CG1-CD2 3.61Å; V56-L64 HydrophobicContact CG1-CG 4.26Å; V56-E65 WeakPolarHBondContact CA-O 3.39Å; V56-E65 WeakPolarHBondContact CG1-O 3.46Å; V56-Y114 PolarHBondContact N-O 3.22Å; V56-Y114 PolarHBondContact O-N 2.84Å; V56-V116 HydrophobicContact CG2-CG2 4.46Å
57	H	95.4	Very high	94	Very high	5 Å²	5	60 Å²	60	2%	0.023	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.6	168.6	75.9	99.8	0	0	0	110.7	E65 M67 F83 A111 M112 Y113	H57-E65 PolarHBondContact CD2-O 2.85Å; H57-E65 VanDerWaalsContact CD2-O 3.31Å; H57-E65 IonicContact CE1-OE2 3.75Å; H57-E65 PolarHBondContact N-O 3Å; H57-E65 WeakPolarHBondContact NE2-CB 3.37Å; H57-E65 IonicContact NE2-OE2 3.7Å; H57-E65 PolarHBondContact NE2-OE2 2.94Å; H57-E65 VanDerWaalsContact NE2-OE2 3.14Å; H57-E65 PolarHBondContact O-N 3.14Å; H57-M67 HydrophobicContact CB-CG 4.34Å; H57-M67 HydrophobicContact CB-SD 3.75Å; H57-F83 AromaticContact CD2-CE2 3.67Å; H57-F83 AromaticContact CD2-CZ 3.41Å; H57-F83 VanDerWaalsContact CD2-CZ 3.41Å; H57-F83 WeakPolarHBondContact CD2-CZ 3.45Å; H57-F83 AromaticContact CE1-CZ 3.75Å; H57-F83 AromaticContact NE2-CE2 3.29Å; H57-F83 VanDerWaalsContact NE2-CE2 3.29Å; H57-F83 WeakPolarHBondContact NE2-CE2 3.06Å; H57-F83 AromaticContact NE2-CZ 2.95Å; H57-F83 WeakPolarHBondContact NE2-CZ 2.95Å; H57-A111 HydrophobicContact CB-CB 4.11Å; H57-M112 CarbonylContact C-O 3.49Å; H57-M112 VanDerWaalsContact CA-O 3.29Å; H57-M112 WeakPolarHBondContact CA-O 3.31Å; H57-Y113 HydrophobicContact CB-CD1 3.67Å; H57-Y113 HydrophobicContact CB-CE1 3.7Å
58	Q	95.3	Very high	94.2	Very high	70 Å²	70	55.8 Å²	55.8	33%	0.327	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.3	178.3	-167.9	-178	18.3	0	0	109.6	G63 L64 A111 M112 Y114	Q58-G63 WeakPolarHBondContact CA-O 3.29Å; Q58-L64 HydrophobicContact CB-CD2 3.72Å; Q58-L64 HydrophobicContact CG-CD2 3.94Å; Q58-L64 HydrophobicContact CG-CG 4.44Å; Q58-A111 WeakPolarHBondContact O-CA 3.5Å; Q58-A111 VanDerWaalsContact O-CB 3.31Å; Q58-A111 WeakPolarHBondContact O-CB 3.26Å; Q58-M112 HydrophobicContact CB-CB 4.35Å; Q58-M112 PolarHBondContact N-O 2.76Å; Q58-M112 PolarHBondContact O-N 3.42Å; Q58-Y114 HydrophobicContact CB-CD2 4.42Å; Q58-Y114 HydrophobicContact CB-CE2 3.78Å; Q58-Y114 PolarHBondContact OE1-OH 3.4Å
59	V	91.7	Very high	94.3	Very high	24 Å²	24	57.1 Å²	57.1	15%	0.145	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.3	169.7	-175.8	0	0	0	0	107.2	A61 Q62 G63 A111	V59-A61 PolarHBondContact O-N 2.96Å; V59-Q62 HydrophobicContact CB-CB 4.08Å; V59-Q62 HydrophobicContact CB-CG 4.38Å; V59-Q62 HydrophobicContact CG1-CB 4.44Å; V59-Q62 HydrophobicContact CG1-CG 4.21Å; V59-Q62 PolarHBondContact O-N 3.42Å; V59-G63 PolarHBondContact N-O 2.81Å; V59-G63 PolarHBondContact O-N 2.8Å; V59-A111 HydrophobicContact CG2-CB 4.34Å
60	H	83.5	Confident	94.4	Very high	179 Å²	179	54.4 Å²	54.4	83%	0.829	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-30.2	-172.5	-84.5	-158.1	0	0	0	114.8
61	A	82	Confident	94.4	Very high	96 Å²	96	51.8 Å²	51.8	79%	0.793	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-11	-178	0	0	0	0	0	115.5	V59	V59-A61 PolarHBondContact O-N 2.96Å
62	Q	83.8	Confident	94.5	Very high	134 Å²	134	46.4 Å²	46.4	63%	0.626	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-7.2	-169	-56.8	175.3	18.7	0	0	113.9	V59	V59-Q62 HydrophobicContact CB-CB 4.08Å; V59-Q62 HydrophobicContact CB-CG 4.38Å; V59-Q62 HydrophobicContact CG1-CB 4.44Å; V59-Q62 HydrophobicContact CG1-CG 4.21Å; V59-Q62 PolarHBondContact O-N 3.42Å
63	G	89.7	Confident	94.5	Very high	34 Å²	34	48 Å²	48	35%	0.351	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-160.1	179.6	0	0	0	0	0	112.9	Q58 V59	Q58-G63 WeakPolarHBondContact CA-O 3.29Å; V59-G63 PolarHBondContact N-O 2.81Å; V59-G63 PolarHBondContact O-N 2.8Å
64	L	94.1	Very high	94.5	Very high	117 Å²	117	53 Å²	53	61%	0.613	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.5	-177.7	-70.2	166.8	0	0	0	110.3	V56 Q58 Y114	V56-L64 HydrophobicContact CG1-CB 3.82Å; V56-L64 HydrophobicContact CG1-CD2 3.61Å; V56-L64 HydrophobicContact CG1-CG 4.26Å; Q58-L64 HydrophobicContact CB-CD2 3.72Å; Q58-L64 HydrophobicContact CG-CD2 3.94Å; Q58-L64 HydrophobicContact CG-CG 4.44Å; L64-Y114 HydrophobicContact CD2-CD2 4.28Å; L64-Y114 HydrophobicContact CD2-CE2 4.43Å
65	E	95.1	Very high	94.4	Very high	52 Å²	52	51.4 Å²	51.4	24%	0.243	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.5	177	-83.1	-172.3	-148.7	0	0	109.6	V56 H57 K82	V56-E65 WeakPolarHBondContact CA-O 3.39Å; V56-E65 WeakPolarHBondContact CG1-O 3.46Å; H57-E65 PolarHBondContact CD2-O 2.85Å; H57-E65 VanDerWaalsContact CD2-O 3.31Å; H57-E65 IonicContact CE1-OE2 3.75Å; H57-E65 PolarHBondContact N-O 3Å; H57-E65 WeakPolarHBondContact NE2-CB 3.37Å; H57-E65 IonicContact NE2-OE2 3.7Å; H57-E65 PolarHBondContact NE2-OE2 2.94Å; H57-E65 VanDerWaalsContact NE2-OE2 3.14Å; H57-E65 PolarHBondContact O-N 3.14Å; E65-K82 VanDerWaalsContact CD-NZ 3.26Å; E65-K82 IonicContact OE1-NZ 3.53Å; E65-K82 PolarHBondContact OE1-NZ 3.03Å; E65-K82 WeakPolarHBondContact OE2-CD 3.38Å; E65-K82 WeakPolarHBondContact OE2-CE 3.46Å; E65-K82 IonicContact OE2-NZ 2.71Å; E65-K82 PolarHBondContact OE2-NZ 3.35Å
66	W	96.6	Very high	94.4	Very high	92 Å²	92	54 Å²	54	35%	0.348	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.5	178.9	-178.9	75.2	0	0	0	110.6	H54 G68 L69 A80	H54-W66 AromaticContact ND1-CD1 3.94Å; H54-W66 AromaticContact ND1-NE1 3.24Å; H54-W66 PolarHBondContact ND1-NE1 2.95Å; W66-G68 VanDerWaalsContact CE2-C 3.46Å; W66-G68 PolarHBondContact NE1-O 3.03Å; W66-L69 HydrophobicContact CZ2-CB 4.11Å; W66-L69 HydrophobicContact CZ2-CD2 3.94Å; W66-L69 HydrophobicContact CZ2-CG 4Å; W66-A80 HydrophobicContact CE3-CB 3.76Å; W66-A80 HydrophobicContact CZ3-CB 3.93Å; W66-A80 WeakPolarHBondContact O-CB 3.41Å
67	M	97.2	Very high	94.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-39.3	-178.3	-60.4	175.6	68.7	0	0	112.4	W55 H57 Y79 A80 F83 V87 M100 Y113	W55-M67 HydrophobicContact CB-CB 4.3Å; W55-M67 PolarHBondContact O-N 3.31Å; H57-M67 HydrophobicContact CB-CG 4.34Å; H57-M67 HydrophobicContact CB-SD 3.75Å; M67-Y79 WeakPolarHBondContact O-CA 3.48Å; M67-A80 PolarHBondContact O-N 2.92Å; M67-F83 HydrophobicContact CB-CD2 4.14Å; M67-F83 HydrophobicContact CB-CG 4.27Å; M67-F83 HydrophobicContact CE-CD1 4.04Å; M67-F83 HydrophobicContact CE-CE1 4.32Å; M67-F83 HydrophobicContact CE-CG 4.49Å; M67-F83 HydrophobicContact CG-CD1 4.48Å; M67-F83 HydrophobicContact CG-CD2 4.02Å; M67-F83 HydrophobicContact CG-CE2 4.09Å; M67-F83 HydrophobicContact CG-CG 4.25Å; M67-F83 HydrophobicContact CG-CZ 4.42Å; M67-V87 HydrophobicContact CE-CG2 3.52Å; M67-M100 HydrophobicContact CE-CE 4.03Å; M67-M100 HydrophobicContact CE-CG 4.45Å; M67-M100 HydrophobicContact CE-SD 3.86Å; M67-M100 HydrophobicContact SD-CE 4.39Å; M67-Y113 HydrophobicContact CE-CD1 4.13Å; M67-Y113 HydrophobicContact CE-CE1 3.79Å; M67-Y113 HydrophobicContact SD-CD1 3.63Å; M67-Y113 HydrophobicContact SD-CE1 3.75Å
68	G	98.1	Very high	94.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-179.4	-171.9	0	0	0	0	0	112.9	W55 W66 S78	W55-G68 PolarHBondContact N-O 2.66Å; W66-G68 VanDerWaalsContact CE2-C 3.46Å; W66-G68 PolarHBondContact NE1-O 3.03Å; G68-S78 CarbonylContact C-O 3.58Å; G68-S78 WeakPolarHBondContact CA-O 3.12Å
69	L	98.4	Very high	94.7	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.1	173	67.1	81.9	0	0	0	111.5	C52 M53 H54 W66 T77 S78	C52-L69 HydrophobicContact CB-CD1 4.37Å; M53-L69 CarbonylContact O-C 3.56Å; M53-L69 WeakPolarHBondContact O-CA 3.34Å; M53-L69 WeakPolarHBondContact O-CB 3.37Å; H54-L69 VanDerWaalsContact CE1-CD2 3.47Å; H54-L69 WeakPolarHBondContact CE1-CD2 3.33Å; W66-L69 HydrophobicContact CZ2-CB 4.11Å; W66-L69 HydrophobicContact CZ2-CD2 3.94Å; W66-L69 HydrophobicContact CZ2-CG 4Å; L69-T77 VanDerWaalsContact O-CA 3.29Å; L69-T77 WeakPolarHBondContact O-CA 3.27Å; L69-S78 PolarHBondContact N-O 3.03Å; L69-S78 PolarHBondContact O-N 2.87Å
70	V	98.5	Very high	95	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.6	161.7	60.1	0	0	0	0	109.3	C52 M53 P72 S76 T77 I89 R91 A98	C52-V70 CarbonylContact C-O 3.42Å; C52-V70 WeakPolarHBondContact CA-O 3.32Å; M53-V70 HydrophobicContact CB-CG1 4.2Å; M53-V70 PolarHBondContact N-O 2.99Å; M53-V70 PolarHBondContact O-N 2.87Å; V70-P72 VanDerWaalsContact O-CD 3.31Å; V70-P72 WeakPolarHBondContact O-CD 3.43Å; V70-S76 CarbonylContact C-O 3.57Å; V70-S76 WeakPolarHBondContact CA-O 3.37Å; V70-T77 HydrophobicContact CB-CG2 4.12Å; V70-T77 HydrophobicContact CG2-CG2 4Å; V70-I89 HydrophobicContact CB-CG2 3.58Å; V70-I89 HydrophobicContact CG1-CG2 3.47Å; V70-I89 VanDerWaalsContact CG1-CG2 3.47Å; V70-R91 HydrophobicContact CG2-CB 4.21Å; V70-R91 HydrophobicContact CG2-CG 4.37Å; V70-A98 HydrophobicContact CG1-CB 4.23Å
71	C	98.2	Very high	95.6	Very high	15 Å²	15	57.9 Å²	57.9	10%	0.101	33%	0.334	C	S	.	.			trans	-93.2	109.4	169.7	-62.7	0	0	0	0	109.1	C52 S73 D74 G75 S76	C52-C71 HydrophobicContact CB-CB 4.04Å; C52-C71 WeakPolarHBondContact CB-SG 3.31Å; C52-C71 WeakPolarHBondContact SG-CB 3.42Å; C52-C71 CovalentContact SG-SG 2.05Å; C52-C71 PolarHBondContact SG-SG 3.08Å; C71-S73 PolarHBondContact O-N 3.23Å; C71-D74 WeakPolarHBondContact CB-OD1 2.98Å; C71-D74 PolarHBondContact O-N 2.84Å; C71-G75 VanDerWaalsContact O-CA 3.26Å; C71-G75 WeakPolarHBondContact O-CA 2.98Å; C71-G75 PolarHBondContact O-N 2.86Å; C71-S76 WeakPolarHBondContact CB-OG 3.49Å; C71-S76 PolarHBondContact N-O 2.92Å
72	P	97.7	Very high	96.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.4	-171.2	-22.7	37.2	0	0	0	114.8	I48 T49 Y51 V70 R91 T93	I48-P72 HydrophobicContact CG1-CB 4.05Å; I48-P72 HydrophobicContact CG1-CG 3.83Å; I48-P72 HydrophobicContact CG2-CB 4.38Å; I48-P72 WeakPolarHBondContact O-CB 3.36Å; I48-P72 WeakPolarHBondContact O-CG 3.42Å; T49-P72 HydrophobicContact CG2-CB 4.36Å; Y51-P72 WeakPolarHBondContact O-CD 3.5Å; V70-P72 VanDerWaalsContact O-CD 3.31Å; V70-P72 WeakPolarHBondContact O-CD 3.43Å; P72-R91 VanDerWaalsContact CA-CD 3.43Å; P72-R91 WeakPolarHBondContact O-CD 3.33Å; P72-R91 PolarHBondContact O-NE 2.92Å; P72-R91 PolarHBondContact O-NH1 3.27Å; P72-T93 HydrophobicContact CB-CG2 4.18Å; P72-T93 WeakPolarHBondContact O-CG2 3.29Å
73	S	97.6	Very high	96.6	Very high	74 Å²	74	52.3 Å²	52.3	52%	0.517	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-49.6	174.8	47	0	0	0	0	112.7	C71	C71-S73 PolarHBondContact O-N 3.23Å
74	D	97.3	Very high	96.7	Very high	105 Å²	105	56.9 Å²	56.9	56%	0.561	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-18.4	-174.8	60	13.1	0	0	0	113.3	C71 S76 R91	C71-D74 WeakPolarHBondContact CB-OD1 2.98Å; C71-D74 PolarHBondContact O-N 2.84Å; D74-S76 VanDerWaalsContact OD1-CB 3.31Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 2.79Å; D74-S76 PolarHBondContact OD1-OG 2.89Å; D74-S76 PolarHBondContact OD2-OG 2.78Å; D74-R91 PolarHBondContact O-NH2 3.14Å
75	G	97.1	Very high	96.8	Very high	29 Å²	29	56.1 Å²	56.1	30%	0.299	31%	0.313	S	S	.	.			trans	83.3	11.1	-175.8	0	0	0	0	0	114.3	C71	C71-G75 VanDerWaalsContact O-CA 3.26Å; C71-G75 WeakPolarHBondContact O-CA 2.98Å; C71-G75 PolarHBondContact O-N 2.86Å
76	S	98	Very high	96.9	Very high	54 Å²	54	54.9 Å²	54.9	38%	0.378	31%	0.306	S	S	.	.			trans	-61.3	140.3	173	60.1	0	0	0	0	110.6	V70 C71 D74	V70-S76 CarbonylContact C-O 3.57Å; V70-S76 WeakPolarHBondContact CA-O 3.37Å; C71-S76 WeakPolarHBondContact CB-OG 3.49Å; C71-S76 PolarHBondContact N-O 2.92Å; D74-S76 VanDerWaalsContact OD1-CB 3.31Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 2.79Å; D74-S76 PolarHBondContact OD1-OG 2.89Å; D74-S76 PolarHBondContact OD2-OG 2.78Å
77	T	98.3	Very high	96.9	Very high	63 Å²	63	50.8 Å²	50.8	39%	0.387	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.3	-179.8	57.9	0	0	0	0	110.5	L69 V70 Y79	L69-T77 VanDerWaalsContact O-CA 3.29Å; L69-T77 WeakPolarHBondContact O-CA 3.27Å; V70-T77 HydrophobicContact CB-CG2 4.12Å; V70-T77 HydrophobicContact CG2-CG2 4Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.33Å
78	S	97.8	Very high	97	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.2	169.6	-175	0	0	0	0	109.4	G68 L69	G68-S78 CarbonylContact C-O 3.58Å; G68-S78 WeakPolarHBondContact CA-O 3.12Å; L69-S78 PolarHBondContact N-O 3.03Å; L69-S78 PolarHBondContact O-N 2.87Å
79	Y	98.1	Very high	97	Very high	69 Å²	69	54.7 Å²	54.7	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.2	-174.8	-57.4	-84.2	0	0	0	109.9	M67 T77 V87 I89	M67-Y79 WeakPolarHBondContact O-CA 3.48Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.33Å; Y79-V87 HydrophobicContact CD1-CB 4.29Å; Y79-V87 HydrophobicContact CD1-CG1 4Å; Y79-V87 HydrophobicContact CE1-CG1 4Å; Y79-V87 WeakPolarHBondContact CE1-O 3.36Å; Y79-I89 HydrophobicContact CD1-CD1 4.22Å; Y79-I89 HydrophobicContact CE1-CB 4.3Å; Y79-I89 HydrophobicContact CE1-CD1 3.89Å; Y79-I89 HydrophobicContact CE1-CG1 3.92Å; Y79-I89 PolarHBondContact OH-N 2.99Å
80	A	97.1	Very high	96.9	Very high	19 Å²	19	56.2 Å²	56.2	16%	0.157	33%	0.326	C	S	.	.			trans	-69.9	142.2	166.7	0	0	0	0	0	110.1	W66 M67 K82 F83 Q84	W66-A80 HydrophobicContact CE3-CB 3.76Å; W66-A80 HydrophobicContact CZ3-CB 3.93Å; W66-A80 WeakPolarHBondContact O-CB 3.41Å; M67-A80 PolarHBondContact O-N 2.92Å; A80-K82 PolarHBondContact O-N 3.49Å; A80-K82 VanDerWaalsContact O-N 3.14Å; A80-F83 HydrophobicContact CB-CD2 4.08Å; A80-F83 PolarHBondContact O-N 2.94Å; A80-Q84 PolarHBondContact O-N 2.96Å
81	Q	96.3	Very high	96.9	Very high	173 Å²	173	60.5 Å²	60.5	81%	0.808	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.8	-176.9	-171	178.3	1.3	0	0	113	F83 Q84	Q81-F83 PolarHBondContact O-N 3.49Å; Q81-Q84 WeakPolarHBondContact O-CB 3.45Å; Q81-Q84 PolarHBondContact O-N 3.46Å
82	K	92.9	Very high	96.9	Very high	111 Å²	111	62 Å²	62	48%	0.483	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	177.4	-177.5	178.6	176.9	-175.8	0	113.5	E65 A80	E65-K82 VanDerWaalsContact CD-NZ 3.26Å; E65-K82 IonicContact OE1-NZ 3.53Å; E65-K82 PolarHBondContact OE1-NZ 3.03Å; E65-K82 WeakPolarHBondContact OE2-CD 3.38Å; E65-K82 WeakPolarHBondContact OE2-CE 3.46Å; E65-K82 IonicContact OE2-NZ 2.71Å; E65-K82 PolarHBondContact OE2-NZ 3.35Å; A80-K82 PolarHBondContact O-N 3.49Å; A80-K82 VanDerWaalsContact O-N 3.14Å
83	F	94.7	Very high	96.9	Very high	3 Å²	3	64.9 Å²	64.9	1%	0.013	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-8.8	-175.5	-69.3	-69.1	0	0	0	113.5	H57 M67 A80 Q81 A85 R86 V87	H57-F83 AromaticContact CD2-CE2 3.67Å; H57-F83 AromaticContact CD2-CZ 3.41Å; H57-F83 VanDerWaalsContact CD2-CZ 3.41Å; H57-F83 WeakPolarHBondContact CD2-CZ 3.45Å; H57-F83 AromaticContact CE1-CZ 3.75Å; H57-F83 AromaticContact NE2-CE2 3.29Å; H57-F83 VanDerWaalsContact NE2-CE2 3.29Å; H57-F83 WeakPolarHBondContact NE2-CE2 3.06Å; H57-F83 AromaticContact NE2-CZ 2.95Å; H57-F83 WeakPolarHBondContact NE2-CZ 2.95Å; M67-F83 HydrophobicContact CB-CD2 4.14Å; M67-F83 HydrophobicContact CB-CG 4.27Å; M67-F83 HydrophobicContact CE-CD1 4.04Å; M67-F83 HydrophobicContact CE-CE1 4.32Å; M67-F83 HydrophobicContact CE-CG 4.49Å; M67-F83 HydrophobicContact CG-CD1 4.48Å; M67-F83 HydrophobicContact CG-CD2 4.02Å; M67-F83 HydrophobicContact CG-CE2 4.09Å; M67-F83 HydrophobicContact CG-CG 4.25Å; M67-F83 HydrophobicContact CG-CZ 4.42Å; A80-F83 HydrophobicContact CB-CD2 4.08Å; A80-F83 PolarHBondContact O-N 2.94Å; Q81-F83 PolarHBondContact O-N 3.49Å; F83-A85 PolarHBondContact O-N 2.77Å; F83-R86 PolarHBondContact O-N 2.86Å; F83-R86 VanDerWaalsContact O-N 3.08Å; F83-V87 HydrophobicContact CB-CB 4.15Å; F83-V87 HydrophobicContact CB-CG2 3.65Å; F83-V87 HydrophobicContact CD1-CG2 3.87Å; F83-V87 HydrophobicContact CG-CG2 4.08Å; F83-V87 PolarHBondContact O-N 2.86Å
84	Q	92.3	Very high	96.8	Very high	129 Å²	129	66.3 Å²	66.3	60%	0.603	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	140.3	176.4	-161.7	169.6	5.1	0	0	109.8	A80 Q81 R86	A80-Q84 PolarHBondContact O-N 2.96Å; Q81-Q84 WeakPolarHBondContact O-CB 3.45Å; Q81-Q84 PolarHBondContact O-N 3.46Å; Q84-R86 PolarHBondContact O-N 2.02Å
85	A	95	Very high	96.8	Very high	102 Å²	102	66 Å²	66	84%	0.843	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	-14.6	-172.8	0	0	0	0	0	117.5	F83	F83-A85 PolarHBondContact O-N 2.77Å
86	R	97	Very high	96.9	Very high	25 Å²	25	66.2 Å²	66.2	9%	0.094	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-29.9	177.6	-58.6	-164.9	-58.5	135.9	0.9	114	F83 Q84 L102 S103 S104 D109	F83-R86 PolarHBondContact O-N 2.86Å; F83-R86 VanDerWaalsContact O-N 3.08Å; Q84-R86 PolarHBondContact O-N 2.02Å; R86-L102 HydrophobicContact CB-CD1 3.84Å; R86-S103 PolarHBondContact O-N 3.47Å; R86-S103 PolarHBondContact O-OG 2.94Å; R86-S104 PolarHBondContact NH1-O 2.85Å; R86-D109 IonicContact CZ-OD1 3.75Å; R86-D109 IonicContact CZ-OD2 2.84Å; R86-D109 IonicContact NH1-OD1 3.14Å; R86-D109 PolarHBondContact NH1-OD1 3.24Å; R86-D109 IonicContact NH1-OD2 3.81Å; R86-D109 PolarHBondContact NH1-OD2 3.01Å; R86-D109 IonicContact NH2-OD1 2.85Å; R86-D109 PolarHBondContact NH2-OD1 3.37Å; R86-D109 IonicContact NH2-OD2 3.28Å
87	V	97.7	Very high	96.9	Very high	7 Å²	7	64 Å²	64	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.1	179.9	173.8	0	0	0	0	110.8	M67 Y79 F83 I89 M100 E101 L102	M67-V87 HydrophobicContact CE-CG2 3.52Å; Y79-V87 HydrophobicContact CD1-CB 4.29Å; Y79-V87 HydrophobicContact CD1-CG1 4Å; Y79-V87 HydrophobicContact CE1-CG1 4Å; Y79-V87 WeakPolarHBondContact CE1-O 3.36Å; F83-V87 HydrophobicContact CB-CB 4.15Å; F83-V87 HydrophobicContact CB-CG2 3.65Å; F83-V87 HydrophobicContact CD1-CG2 3.87Å; F83-V87 HydrophobicContact CG-CG2 4.08Å; F83-V87 PolarHBondContact O-N 2.86Å; V87-I89 HydrophobicContact CG1-CD1 4.18Å; V87-I89 HydrophobicContact CG1-CG1 3.85Å; V87-M100 HydrophobicContact CG1-CG 3.96Å; V87-M100 HydrophobicContact CG1-SD 4.46Å; V87-E101 CarbonylContact C-O 3.55Å; V87-E101 WeakPolarHBondContact CA-O 3.17Å; V87-L102 HydrophobicContact CG2-CD1 3.55Å
88	T	98.1	Very high	96.9	Very high	75 Å²	75	61 Å²	61	46%	0.46	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.1	169.2	-60.7	0	0	0	0	108.7	T90 E101	T88-T90 HydrophobicContact CG2-CG2 4.1Å; T88-E101 PolarHBondContact N-O 2.78Å; T88-E101 PolarHBondContact O-N 3.44Å
89	I	98.4	Very high	96.9	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.3	177.6	-58.1	163.5	0	0	0	108.5	W55 V70 Y79 V87 Y99 M100	W55-I89 HydrophobicContact CG-CD1 4.39Å; V70-I89 HydrophobicContact CB-CG2 3.58Å; V70-I89 HydrophobicContact CG1-CG2 3.47Å; V70-I89 VanDerWaalsContact CG1-CG2 3.47Å; Y79-I89 HydrophobicContact CD1-CD1 4.22Å; Y79-I89 HydrophobicContact CE1-CB 4.3Å; Y79-I89 HydrophobicContact CE1-CD1 3.89Å; Y79-I89 HydrophobicContact CE1-CG1 3.92Å; Y79-I89 PolarHBondContact OH-N 2.99Å; V87-I89 HydrophobicContact CG1-CD1 4.18Å; V87-I89 HydrophobicContact CG1-CG1 3.85Å; I89-Y99 CarbonylContact C-O 3.55Å; I89-Y99 VanDerWaalsContact CA-O 3.31Å; I89-Y99 WeakPolarHBondContact CA-O 3.47Å; I89-M100 HydrophobicContact CG1-CB 4.4Å; I89-M100 HydrophobicContact CG1-CG 4.22Å
90	T	98	Very high	96.9	Very high	62 Å²	62	57.1 Å²	57.1	38%	0.38	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	167.4	179.2	60.7	0	0	0	0	111.3	T88 A98 Y99	T88-T90 HydrophobicContact CG2-CG2 4.1Å; T90-A98 WeakPolarHBondContact O-CA 3.47Å; T90-Y99 PolarHBondContact N-O 2.88Å; T90-Y99 PolarHBondContact O-N 2.86Å
91	R	97.8	Very high	97	Very high	91 Å²	91	59.7 Å²	59.7	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.5	-178.1	64.4	175.1	179.7	102.5	-11.7	111.5	V70 P72 D74 T93	V70-R91 HydrophobicContact CG2-CB 4.21Å; V70-R91 HydrophobicContact CG2-CG 4.37Å; P72-R91 VanDerWaalsContact CA-CD 3.43Å; P72-R91 WeakPolarHBondContact O-CD 3.33Å; P72-R91 PolarHBondContact O-NE 2.92Å; P72-R91 PolarHBondContact O-NH1 3.27Å; D74-R91 PolarHBondContact O-NH2 3.14Å; R91-T93 VanDerWaalsContact NH1-CG2 3.28Å
92	D	97.7	Very high	97	Very high	47 Å²	47	51.5 Å²	51.5	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	101.1	164.3	-173.2	-25.4	0	0	0	108.5	S94 M95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.34Å; D92-S94 WeakPolarHBondContact OD1-CA 3.47Å; D92-S94 WeakPolarHBondContact OD1-CB 3.34Å; D92-S94 PolarHBondContact OD1-N 3.08Å; D92-S94 PolarHBondContact OD1-OG 3.01Å; D92-M95 HydrophobicContact CB-CB 4.24Å; D92-M95 PolarHBondContact O-N 3.24Å; D92-M95 PolarHBondContact OD1-N 3.44Å; D92-M95 WeakPolarHBondContact OD2-CG 3.33Å; D92-M95 VanDerWaalsContact OD2-SD 3.38Å; D92-S96 PolarHBondContact O-N 3.21Å; D92-S96 VanDerWaalsContact O-N 3.14Å; D92-T97 PolarHBondContact N-O 2.61Å; D92-T97 PolarHBondContact O-N 3.5Å; D92-Y99 HydrophobicContact CB-CE2 4.08Å
93	T	97.4	Very high	97.3	Very high	61 Å²	61	47.7 Å²	47.7	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22	-179.3	49	0	0	0	0	112.7	I48 T49 P72 R91	I48-T93 HydrophobicContact CG2-CG2 4.23Å; T49-T93 HydrophobicContact CG2-CG2 3.72Å; P72-T93 HydrophobicContact CB-CG2 4.18Å; P72-T93 WeakPolarHBondContact O-CG2 3.29Å; R91-T93 VanDerWaalsContact NH1-CG2 3.28Å
94	S	96.9	Very high	97.4	Very high	104 Å²	104	50.8 Å²	50.8	73%	0.727	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.9	176.5	76.7	0	0	0	0	111.4	D92	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.34Å; D92-S94 WeakPolarHBondContact OD1-CA 3.47Å; D92-S94 WeakPolarHBondContact OD1-CB 3.34Å; D92-S94 PolarHBondContact OD1-N 3.08Å; D92-S94 PolarHBondContact OD1-OG 3.01Å
95	M	97.3	Very high	97.6	Very high	97 Å²	97	45.5 Å²	45.5	48%	0.478	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.1	178	-62.5	-171	69.9	0	0	113.5	D92 T97	D92-M95 HydrophobicContact CB-CB 4.24Å; D92-M95 PolarHBondContact O-N 3.24Å; D92-M95 PolarHBondContact OD1-N 3.44Å; D92-M95 WeakPolarHBondContact OD2-CG 3.33Å; D92-M95 VanDerWaalsContact OD2-SD 3.38Å; M95-T97 PolarHBondContact O-N 3.19Å; M95-T97 PolarHBondContact O-OG1 3.14Å
96	S	97.6	Very high	97.6	Very high	35 Å²	35	47 Å²	47	25%	0.245	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	43.8	-169.6	-63.8	0	0	0	0	112.2	K42 A43 I48 D92	K42-S96 CarbonylContact C-O 3.57Å; K42-S96 WeakPolarHBondContact CA-O 3.48Å; A43-S96 PolarHBondContact N-O 3.15Å; A43-S96 WeakPolarHBondContact O-CB 3.35Å; I48-S96 WeakPolarHBondContact CD1-O 3.39Å; D92-S96 PolarHBondContact O-N 3.21Å; D92-S96 VanDerWaalsContact O-N 3.14Å
97	T	98.3	Very high	97.4	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.4	-173.5	-57.7	0	0	0	0	111.1	C41 D92 M95 Y99	C41-T97 CarbonylContact O-C 3.59Å; C41-T97 VanDerWaalsContact O-CA 3.32Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; D92-T97 PolarHBondContact N-O 2.61Å; D92-T97 PolarHBondContact O-N 3.5Å; M95-T97 PolarHBondContact O-N 3.19Å; M95-T97 PolarHBondContact O-OG1 3.14Å; T97-Y99 HydrophobicContact CG2-CD1 4.34Å; T97-Y99 HydrophobicContact CG2-CD2 4.41Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.83Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.47Å
98	A	98.4	Very high	97.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.9	166.6	0	0	0	0	0	109.7	S40 C41 M53 W55 V70 T90	S40-A98 CarbonylContact C-O 3.55Å; C41-A98 PolarHBondContact N-O 3.21Å; C41-A98 PolarHBondContact O-N 2.77Å; M53-A98 HydrophobicContact CB-CB 4.31Å; M53-A98 HydrophobicContact CG-CB 4.1Å; W55-A98 HydrophobicContact CZ2-CB 4.42Å; V70-A98 HydrophobicContact CG1-CB 4.23Å; T90-A98 WeakPolarHBondContact O-CA 3.47Å
99	Y	98.4	Very high	96.9	Very high	46 Å²	46	52.6 Å²	52.6	18%	0.18	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.1	177.6	-55	-90.2	0	0	0	110.2	V39 I89 T90 D92 T97	V39-Y99 CarbonylContact O-C 3.52Å; V39-Y99 VanDerWaalsContact O-CA 3.27Å; V39-Y99 WeakPolarHBondContact O-CA 3.38Å; I89-Y99 CarbonylContact C-O 3.55Å; I89-Y99 VanDerWaalsContact CA-O 3.31Å; I89-Y99 WeakPolarHBondContact CA-O 3.47Å; T90-Y99 PolarHBondContact N-O 2.88Å; T90-Y99 PolarHBondContact O-N 2.86Å; D92-Y99 HydrophobicContact CB-CE2 4.08Å; T97-Y99 HydrophobicContact CG2-CD1 4.34Å; T97-Y99 HydrophobicContact CG2-CD2 4.41Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.83Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.47Å
100	M	98.1	Very high	96.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.7	167.1	179	-78.9	-66.8	0	0	108.2	K38 V39 W55 M67 V87 I89 L102 Y113	K38-M100 CarbonylContact C-O 3.55Å; K38-M100 WeakPolarHBondContact CA-O 3.43Å; V39-M100 HydrophobicContact CB-CE 4.33Å; V39-M100 HydrophobicContact CG2-CE 3.94Å; V39-M100 PolarHBondContact N-O 3.04Å; V39-M100 PolarHBondContact O-N 3.26Å; W55-M100 HydrophobicContact CD2-CB 3.4Å; W55-M100 HydrophobicContact CD2-CG 4.03Å; W55-M100 VanDerWaalsContact CE2-CB 3.44Å; W55-M100 HydrophobicContact CE3-CB 3.64Å; W55-M100 HydrophobicContact CE3-CE 4.21Å; W55-M100 HydrophobicContact CE3-CG 4.22Å; W55-M100 HydrophobicContact CG-CB 3.92Å; W55-M100 HydrophobicContact CG-CG 4.16Å; W55-M100 HydrophobicContact CH2-CB 3.9Å; W55-M100 HydrophobicContact CZ2-CB 3.7Å; W55-M100 HydrophobicContact CZ3-CB 3.88Å; W55-M100 HydrophobicContact CZ3-CE 4.46Å; M67-M100 HydrophobicContact CE-CE 4.03Å; M67-M100 HydrophobicContact CE-CG 4.45Å; M67-M100 HydrophobicContact CE-SD 3.86Å; M67-M100 HydrophobicContact SD-CE 4.39Å; V87-M100 HydrophobicContact CG1-CG 3.96Å; V87-M100 HydrophobicContact CG1-SD 4.46Å; I89-M100 HydrophobicContact CG1-CB 4.4Å; I89-M100 HydrophobicContact CG1-CG 4.22Å; M100-L102 HydrophobicContact SD-CB 3.9Å; M100-Y113 HydrophobicContact CE-CD1 3.52Å; M100-Y113 HydrophobicContact CE-CE1 4Å; M100-Y113 HydrophobicContact CE-CG 3.99Å
101	E	98.3	Very high	96.6	Very high	74 Å²	74	55.7 Å²	55.7	35%	0.346	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.9	171.9	-175.4	170	179	0	0	109.4	V37 K38 V87 T88	V37-E101 CarbonylContact O-C 3.58Å; V37-E101 VanDerWaalsContact O-CA 3.27Å; V37-E101 WeakPolarHBondContact O-CA 3.29Å; K38-E101 HydrophobicContact CB-CB 4.46Å; K38-E101 HydrophobicContact CB-CG 4.46Å; K38-E101 HydrophobicContact CG-CB 4.41Å; V87-E101 CarbonylContact C-O 3.55Å; V87-E101 WeakPolarHBondContact CA-O 3.17Å; T88-E101 PolarHBondContact N-O 2.78Å; T88-E101 PolarHBondContact O-N 3.44Å
102	L	97.7	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.4	172.4	177.7	64	0	0	0	108.5	S36 V37 R86 V87 M100 L105 D109 Y113	S36-L102 VanDerWaalsContact CA-O 3.28Å; S36-L102 WeakPolarHBondContact CA-O 3.15Å; V37-L102 HydrophobicContact CG1-CB 4.07Å; V37-L102 PolarHBondContact N-O 2.91Å; V37-L102 PolarHBondContact O-N 3.02Å; R86-L102 HydrophobicContact CB-CD1 3.84Å; V87-L102 HydrophobicContact CG2-CD1 3.55Å; M100-L102 HydrophobicContact SD-CB 3.9Å; L102-L105 HydrophobicContact CB-CD2 4.44Å; L102-L105 HydrophobicContact CD2-CD2 3.62Å; L102-L105 HydrophobicContact CG-CD2 3.84Å; L102-D109 HydrophobicContact CD2-CB 3.9Å; L102-Y113 HydrophobicContact CD2-CE1 4.21Å; L102-Y113 WeakPolarHBondContact CD2-OH 3.11Å
103	S	97.8	Very high	96.4	Very high	32 Å²	32	55.5 Å²	55.5	22%	0.224	31%	0.308	C	S	.	.			trans	-100.4	163	-178.6	64	0	0	0	0	112.3	S36 R86 L105	S36-S103 WeakPolarHBondContact OG-CA 2.99Å; R86-S103 PolarHBondContact O-N 3.47Å; R86-S103 PolarHBondContact O-OG 2.94Å; S103-L105 PolarHBondContact O-N 2.88Å
104	S	97.2	Very high	96.4	Very high	67 Å²	67	56.5 Å²	56.5	47%	0.469	31%	0.305	S	S	.	.	S	Bend	trans	53.5	51.6	177.8	-54.5	0	0	0	0	112.2	A35 R86	A35-S104 PolarHBondContact O-N 2.84Å; R86-S104 PolarHBondContact NH1-O 2.85Å
105	L	97	Very high	96.4	Very high	18 Å²	18	52 Å²	52	9%	0.094	27%	0.274	C	S	.	.			trans	-56.4	138.8	-175.2	-74	168.2	0	0	0	112.4	K31 P33 G34 A35 V37 L102 S103 D109	K31-L105 HydrophobicContact CB-CD1 3.6Å; K31-L105 HydrophobicContact CG-CD1 3.88Å; P33-L105 CarbonylContact C-O 3.56Å; P33-L105 WeakPolarHBondContact CA-O 3.3Å; G34-L105 PolarHBondContact N-O 3.3Å; A35-L105 WeakPolarHBondContact O-CB 3.49Å; A35-L105 VanDerWaalsContact O-CG 3.3Å; A35-L105 WeakPolarHBondContact O-CG 2.98Å; A35-L105 PolarHBondContact O-N 3.28Å; V37-L105 HydrophobicContact CB-CD1 4.08Å; V37-L105 HydrophobicContact CG1-CD1 4.05Å; V37-L105 HydrophobicContact CG1-CD2 3.98Å; V37-L105 HydrophobicContact CG1-CG 4.47Å; L102-L105 HydrophobicContact CB-CD2 4.44Å; L102-L105 HydrophobicContact CD2-CD2 3.62Å; L102-L105 HydrophobicContact CG-CD2 3.84Å; S103-L105 PolarHBondContact O-N 2.88Å; L105-D109 HydrophobicContact CD2-CB 3.86Å
106	R	94.8	Very high	96.4	Very high	134 Å²	134	50.6 Å²	50.6	51%	0.506	27%	0.27	S	S	.	.			trans	-118.8	165.1	176.4	-60.4	170.3	-179.6	179.4	-0.6	109.3	E108 D109	R106-E108 HydrophobicContact CB-CG 3.61Å; R106-E108 WeakPolarHBondContact CD-OE1 3.27Å; R106-E108 IonicContact CZ-OE1 2.66Å; R106-E108 IonicContact NE-OE1 3.53Å; R106-E108 IonicContact NH1-OE1 3.03Å; R106-E108 PolarHBondContact NH1-OE1 3.21Å; R106-E108 PolarHBondContact O-N 2.88Å; R106-D109 PolarHBondContact N-OD2 3.2Å; R106-D109 WeakPolarHBondContact O-CB 3.44Å; R106-D109 PolarHBondContact O-N 3.46Å
107	S	92.8	Very high	96.1	Very high	105 Å²	105	54.4 Å²	54.4	73%	0.734	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.3	-34.7	175.8	50.1	0	0	0	0	112.4	D109 T110	S107-D109 PolarHBondContact O-N 2.79Å; S107-T110 WeakPolarHBondContact O-CB 3.46Å; S107-T110 PolarHBondContact O-N 2.96Å; S107-T110 VanDerWaalsContact O-N 3.16Å; S107-T110 PolarHBondContact O-OG1 3.19Å
108	E	90.8	Very high	96	Very high	106 Å²	106	56.8 Å²	56.8	50%	0.495	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.2	-18.7	175.3	59.5	-175.1	-165.5	0	0	114.4	R106 T110	R106-E108 HydrophobicContact CB-CG 3.61Å; R106-E108 WeakPolarHBondContact CD-OE1 3.27Å; R106-E108 IonicContact CZ-OE1 2.66Å; R106-E108 IonicContact NE-OE1 3.53Å; R106-E108 IonicContact NH1-OE1 3.03Å; R106-E108 PolarHBondContact NH1-OE1 3.21Å; R106-E108 PolarHBondContact O-N 2.88Å; E108-T110 PolarHBondContact O-N 3.43Å
109	D	93.7	Very high	95.9	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.07	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-84.5	3.7	176.8	-57.3	-52.5	0	0	0	112.2	R86 L102 L105 R106 S107 A111 Y113	R86-D109 IonicContact CZ-OD1 3.75Å; R86-D109 IonicContact CZ-OD2 2.84Å; R86-D109 IonicContact NH1-OD1 3.14Å; R86-D109 PolarHBondContact NH1-OD1 3.24Å; R86-D109 IonicContact NH1-OD2 3.81Å; R86-D109 PolarHBondContact NH1-OD2 3.01Å; R86-D109 IonicContact NH2-OD1 2.85Å; R86-D109 PolarHBondContact NH2-OD1 3.37Å; R86-D109 IonicContact NH2-OD2 3.28Å; L102-D109 HydrophobicContact CD2-CB 3.9Å; L105-D109 HydrophobicContact CD2-CB 3.86Å; R106-D109 PolarHBondContact N-OD2 3.2Å; R106-D109 WeakPolarHBondContact O-CB 3.44Å; R106-D109 PolarHBondContact O-N 3.46Å; S107-D109 PolarHBondContact O-N 2.79Å; D109-A111 PolarHBondContact O-N 2.89Å; D109-Y113 PolarHBondContact O-OH 2.89Å
110	T	94.6	Very high	95.7	Very high	112 Å²	112	60.6 Å²	60.6	69%	0.687	31%	0.314	S	S	*	.			trans	-70.1	98.5	173.5	-52.7	0	0	0	0	109.4	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.46Å; S107-T110 PolarHBondContact O-N 2.96Å; S107-T110 VanDerWaalsContact O-N 3.16Å; S107-T110 PolarHBondContact O-OG1 3.19Å; E108-T110 PolarHBondContact O-N 3.43Å
111	A	95.4	Very high	95.6	Very high	21 Å²	21	64.1 Å²	64.1	17%	0.174	33%	0.332	C	S	.	.	S	Bend	trans	-150.7	165.4	-172.5	0	0	0	0	0	111.6	H57 Q58 V59 D109 Y113	H57-A111 HydrophobicContact CB-CB 4.11Å; Q58-A111 WeakPolarHBondContact O-CA 3.5Å; Q58-A111 VanDerWaalsContact O-CB 3.31Å; Q58-A111 WeakPolarHBondContact O-CB 3.26Å; V59-A111 HydrophobicContact CG2-CB 4.34Å; D109-A111 PolarHBondContact O-N 2.89Å; A111-Y113 HydrophobicContact CB-CE2 4.34Å; A111-Y113 WeakPolarHBondContact O-CD2 3.28Å
112	M	95.5	Very high	95.4	Very high	99 Å²	99	63.5 Å²	63.5	49%	0.488	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.2	162.4	-60.9	-63.8	-98.6	0	0	108.5	H57 Q58 Y114	H57-M112 CarbonylContact C-O 3.49Å; H57-M112 VanDerWaalsContact CA-O 3.29Å; H57-M112 WeakPolarHBondContact CA-O 3.31Å; Q58-M112 HydrophobicContact CB-CB 4.35Å; Q58-M112 PolarHBondContact N-O 2.76Å; Q58-M112 PolarHBondContact O-N 3.42Å; M112-Y114 HydrophobicContact CB-CE2 3.65Å; M112-Y114 WeakPolarHBondContact CB-OH 3.38Å
113	Y	96.5	Very high	95.3	Very high	36 Å²	36	67.7 Å²	67.7	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.3	178.6	-64.8	-87.1	0	0	0	109.6	Q25 H57 M67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.45Å; Q25-Y113 PolarHBondContact OE1-O 2.73Å; H57-Y113 HydrophobicContact CB-CD1 3.67Å; H57-Y113 HydrophobicContact CB-CE1 3.7Å; M67-Y113 HydrophobicContact CE-CD1 4.13Å; M67-Y113 HydrophobicContact CE-CE1 3.79Å; M67-Y113 HydrophobicContact SD-CD1 3.63Å; M67-Y113 HydrophobicContact SD-CE1 3.75Å; M100-Y113 HydrophobicContact CE-CD1 3.52Å; M100-Y113 HydrophobicContact CE-CE1 4Å; M100-Y113 HydrophobicContact CE-CG 3.99Å; L102-Y113 HydrophobicContact CD2-CE1 4.21Å; L102-Y113 WeakPolarHBondContact CD2-OH 3.11Å; D109-Y113 PolarHBondContact O-OH 2.89Å; A111-Y113 HydrophobicContact CB-CE2 4.34Å; A111-Y113 WeakPolarHBondContact O-CD2 3.28Å
114	Y	97	Very high	95.1	Very high	81 Å²	81	70.3 Å²	70.3	32%	0.318	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.3	-178.7	-57.6	-75	0	0	0	110.7	W55 V56 Q58 L64 M112	W55-Y114 WeakPolarHBondContact CA-O 3.14Å; V56-Y114 PolarHBondContact N-O 3.22Å; V56-Y114 PolarHBondContact O-N 2.84Å; Q58-Y114 HydrophobicContact CB-CD2 4.42Å; Q58-Y114 HydrophobicContact CB-CE2 3.78Å; Q58-Y114 PolarHBondContact OE1-OH 3.4Å; L64-Y114 HydrophobicContact CD2-CD2 4.28Å; L64-Y114 HydrophobicContact CD2-CE2 4.43Å; M112-Y114 HydrophobicContact CB-CE2 3.65Å; M112-Y114 WeakPolarHBondContact CB-OH 3.38Å
115	C	98	Very high	94.9	Very high	9 Å²	9	70.5 Å²	70.5	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.4	159.8	61	0	0	0	0	109.8	L23 Q25 C41 M53 H54 W55	L23-C115 WeakPolarHBondContact CD1-O 3.39Å; Q25-C115 WeakPolarHBondContact CG-SG 3.26Å; Q25-C115 VanDerWaalsContact OE1-N 3.11Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.36Å; C41-C115 WeakPolarHBondContact SG-CB 3.43Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.9Å; M53-C115 HydrophobicContact CG-CB 4.16Å; M53-C115 HydrophobicContact SD-CB 3.88Å; H54-C115 CarbonylContact O-C 3.54Å; H54-C115 VanDerWaalsContact O-CA 3.32Å; H54-C115 WeakPolarHBondContact O-CA 3.1Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.23Å; W55-C115 HydrophobicContact CH2-CB 4.14Å; W55-C115 HydrophobicContact CZ2-CB 4.25Å; W55-C115 HydrophobicContact CZ3-CB 4.1Å
116	V	97.1	Very high	94.7	Very high	68 Å²	68	74.9 Å²	74.9	41%	0.412	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.8	-177.6	-171.4	0	0	0	0	108.9	M53 H54 V56	M53-V116 CarbonylContact C-O 3.57Å; H54-V116 HydrophobicContact CB-CB 4.42Å; H54-V116 PolarHBondContact N-O 2.05Å; H54-V116 PolarHBondContact O-N 2.99Å; V56-V116 HydrophobicContact CG2-CG2 4.46Å
117	R	90.7	Very high	94.7	Very high	115 Å²	115	69.5 Å²	69.5	43%	0.434	37%	0.365	S	S	.	.			trans	-102.5	0	173.5	-178.6	-175.6	69	85	-0.5	110.6	L23 Y46 Y51	L23-R117 HydrophobicContact CD1-CB 4.33Å; Y46-R117 HydrophobicContact CE2-CG 4.29Å; Y51-R117 VanDerWaalsContact CB-CG 3.41Å; Y51-R117 HydrophobicContact CD1-CG 4.36Å; Y51-R117 HydrophobicContact CD2-CG 4.03Å; Y51-R117 VanDerWaalsContact CD2-NH1 3.29Å; Y51-R117 HydrophobicContact CG-CG 3.68Å

Retrieved 117 of 117 residues in 265.6 ms (Link to these results)

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