A0A075B7D8_HUMAN Loading...

Immunoglobulin heavy variable 3/OR15-7 (pseudogene)

AlphaFold DB , UniProt , Accession A0A075B7D8, Species HUMAN (Homo sapiens, Human), Gene IGHV3OR15-7, Length 119 aa.

						>A0A075B7D8_HUMAN|A0A075B7D8|IGHV3OR15-7
MEFGLSWVFLVAILKGVQCEVQLVESGGGLVQPGGSLRLSCAASGFTFSDHYMSWVRQAQGKGLELVGLIRNKANSYTTEYAASVKGRLTISREDSKNTLYLQMSNLKTEDLAVYYCAR
					

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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	45	Very low	57.4	Low	228 Å²	228	137.5 Å²	137.5	100%	1.123	71%	0.707	S	S	*	*				0	62.2	0	-176.9	164.2	35.7	0	0	108.4
2	E	57.1	Low	57.7	Low	167 Å²	167	132.1 Å²	132.1	78%	0.78	70%	0.699	S	S	*	*			trans	-153.8	-11.2	178.1	-76.2	-156.5	110.3	0	0	114.1	G4	E2-G4 PolarHBondContact O-N 3.36Å
3	F	55.5	Low	57.9	Low	185 Å²	185	132.2 Å²	132.2	81%	0.811	70%	0.698	S	S	*	*	H	α-helix	trans	-79.1	-16	-176.6	-56.5	-69.9	0	0	0	114.8
4	G	55.7	Low	57.9	Low	59 Å²	59	133.9 Å²	133.9	61%	0.608	71%	0.706	S	S	*	*	H	α-helix	trans	-79.2	-31.9	-177.2	0	0	0	0	0	114.7	E2	E2-G4 PolarHBondContact O-N 3.36Å
5	L	58.2	Low	58	Low	120 Å²	120	137.5 Å²	137.5	63%	0.628	71%	0.714	S	S	*	*	H	α-helix	trans	-71.9	-35.9	-179.4	-97.3	109.8	0	0	0	112.3	W7 V8 F9	L5-W7 VanDerWaalsContact C-N 3.31Å; L5-W7 PolarHBondContact O-N 3.03Å; L5-V8 PolarHBondContact O-N 3.25Å; L5-V8 VanDerWaalsContact O-N 3.15Å; L5-F9 HydrophobicContact CB-CE2 4.24Å; L5-F9 HydrophobicContact CD2-CE2 3.79Å; L5-F9 HydrophobicContact CD2-CZ 4.33Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 2.95Å
6	S	62.5	Low	58.1	Low	72 Å²	72	132.6 Å²	132.6	50%	0.503	71%	0.707	S	S	.	*	H	α-helix	trans	-60.6	-37.2	-176.1	-172	0	0	0	0	113.1	F9 L10	S6-F9 PolarHBondContact O-N 2.84Å; S6-L10 PolarHBondContact O-N 2.85Å
7	W	59.1	Low	58.5	Low	205 Å²	205	132.4 Å²	132.4	78%	0.777	71%	0.711	S	S	*	*	H	α-helix	trans	-69.6	-34.5	176.8	-83.7	5.5	0	0	0	113.6	L5 F9 L10 V11	L5-W7 VanDerWaalsContact C-N 3.31Å; L5-W7 PolarHBondContact O-N 3.03Å; W7-F9 VanDerWaalsContact C-N 3.32Å; W7-F9 PolarHBondContact O-N 2.8Å; W7-L10 PolarHBondContact O-N 3.34Å; W7-V11 PolarHBondContact O-N 3.49Å
8	V	61.2	Low	58.4	Low	109 Å²	109	133.9 Å²	133.9	66%	0.661	71%	0.713	S	S	*	*	H	α-helix	trans	-67	-35.7	177.8	-174.4	0	0	0	0	110.9	L5 L10	L5-V8 PolarHBondContact O-N 3.25Å; L5-V8 VanDerWaalsContact O-N 3.15Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.14Å
9	F	58.9	Low	59	Low	145 Å²	145	133.1 Å²	133.1	64%	0.636	72%	0.718	S	S	*	*	H	α-helix	trans	-67	-30.3	175.1	-72.7	-71.4	0	0	0	113.4	L5 S6 W7	L5-F9 HydrophobicContact CB-CE2 4.24Å; L5-F9 HydrophobicContact CD2-CE2 3.79Å; L5-F9 HydrophobicContact CD2-CZ 4.33Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 2.95Å; S6-F9 PolarHBondContact O-N 2.84Å; W7-F9 VanDerWaalsContact C-N 3.32Å; W7-F9 PolarHBondContact O-N 2.8Å
10	L	58.3	Low	60.4	Low	112 Å²	112	133 Å²	133	59%	0.586	71%	0.713	S	S	*	*	H	α-helix	trans	-71.9	-32.1	-179.8	-112	143.3	0	0	0	113.1	S6 W7 V8 A12	S6-L10 PolarHBondContact O-N 2.85Å; W7-L10 PolarHBondContact O-N 3.34Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.14Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 2.88Å
11	V	59.9	Low	62	Low	110 Å²	110	129.9 Å²	129.9	67%	0.667	70%	0.698	S	S	*	*	H	α-helix	trans	-72	-24.9	-179.4	-177.9	0	0	0	0	112.3	W7 I13	W7-V11 PolarHBondContact O-N 3.49Å; V11-I13 VanDerWaalsContact C-N 3.3Å; V11-I13 PolarHBondContact O-N 2.92Å
12	A	60.7	Low	64.4	Low	73 Å²	73	124.3 Å²	124.3	60%	0.603	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-10.2	-178.1	0	0	0	0	0	114.8	L10	L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 2.88Å
13	I	60.5	Low	66.4	Low	134 Å²	134	118.6 Å²	118.6	69%	0.687	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-13.1	-175.5	-56.4	168.5	0	0	0	112.2	V11 K15	V11-I13 VanDerWaalsContact C-N 3.3Å; V11-I13 PolarHBondContact O-N 2.92Å; I13-K15 PolarHBondContact O-N 2.67Å
14	L	58.8	Low	68.4	Low	155 Å²	155	112.8 Å²	112.8	81%	0.812	62%	0.623	S	S	*	*			trans	-77	58.9	168	-68	167.8	0	0	0	110.3	G16	L14-G16 PolarHBondContact O-N 3.03Å
15	K	58.5	Low	70.4	Confident	189 Å²	189	113.4 Å²	113.4	82%	0.822	61%	0.611	S	S	*	*			trans	-63.5	97.8	157.1	-67.6	-154.6	178.9	-170.6	0	105.6	I13 V17	I13-K15 PolarHBondContact O-N 2.67Å; K15-V17 PolarHBondContact O-N 2.86Å
16	G	60.4	Low	72.3	Confident	59 Å²	59	110.5 Å²	110.5	61%	0.608	60%	0.6	S	S	*	*			trans	-45.9	134.4	-176.7	0	0	0	0	0	110.4	L14 Q18	L14-G16 PolarHBondContact O-N 3.03Å; G16-Q18 VanDerWaalsContact C-N 3.32Å; G16-Q18 PolarHBondContact O-N 3.03Å
17	V	64.4	Low	73.9	Confident	128 Å²	128	109.1 Å²	109.1	78%	0.776	60%	0.597	S	S	*	*			trans	-59.1	101	169.4	175.6	0	0	0	0	106.2	K15 C19	K15-V17 PolarHBondContact O-N 2.86Å; V17-C19 VanDerWaalsContact CG1-SG 3.57Å; V17-C19 PolarHBondContact O-N 3.18Å
18	Q	57.6	Low	75.5	Confident	161 Å²	161	102.1 Å²	102.1	75%	0.752	59%	0.588	S	S	*	*			trans	-74.9	87.1	169.6	-62.4	-147.8	-79.9	0	0	106.7	G16 E20	G16-Q18 VanDerWaalsContact C-N 3.32Å; G16-Q18 PolarHBondContact O-N 3.03Å; Q18-E20 PolarHBondContact O-N 2.91Å
19	C	68.8	Low	77.1	Confident	118 Å²	118	99.8 Å²	99.8	80%	0.797	59%	0.586	S	S	*	*			trans	-72.3	51.2	162.9	-82.3	0	0	0	0	109.7	V17	V17-C19 VanDerWaalsContact CG1-SG 3.57Å; V17-C19 PolarHBondContact O-N 3.18Å
20	E	87.8	Confident	78.7	Confident	131 Å²	131	100.5 Å²	100.5	61%	0.612	60%	0.596	S	S	*	*			trans	-102.9	141.7	177.8	-166.6	167.7	-172.7	0	0	109.2	Q18 Q22	Q18-E20 PolarHBondContact O-N 2.91Å; E20-Q22 PolarHBondContact O-N 3.26Å
21	V	93	Very high	80.3	Confident	68 Å²	68	97.8 Å²	97.8	41%	0.412	58%	0.584	S	S	.	*			trans	-65.3	126.1	173.2	168.3	0	0	0	0	108.2	F46	V21-F46 HydrophobicContact CB-CD1 4.47Å; V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.88Å; V21-F46 HydrophobicContact CG2-CB 4.47Å; V21-F46 HydrophobicContact CG2-CD1 4.18Å
22	Q	96	Very high	81.9	Confident	110 Å²	110	100.3 Å²	100.3	51%	0.514	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	138.4	178.7	-157.9	-176.2	3.8	0	0	110.8	E20 V24 A43 S44	E20-Q22 PolarHBondContact O-N 3.26Å; Q22-V24 HydrophobicContact CG-CG2 3.72Å; Q22-V24 VanDerWaalsContact NE2-CG2 3.33Å; Q22-A43 WeakPolarHBondContact O-CA 3.3Å; Q22-S44 WeakPolarHBondContact CB-OG 3.3Å; Q22-S44 PolarHBondContact N-O 2.66Å; Q22-S44 PolarHBondContact O-N 3.3Å
23	L	98.1	Very high	83.4	Confident	47 Å²	47	101.5 Å²	101.5	25%	0.246	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.1	124.4	170.4	-65.4	-177.9	0	0	0	106.7	A42 A43 F46 M53 C117	L23-A42 WeakPolarHBondContact CA-O 3.32Å; L23-A43 HydrophobicContact CD2-CB 3.67Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 4.09Å; L23-M53 HydrophobicContact CD2-CE 3.95Å; L23-C117 WeakPolarHBondContact CD1-O 3.49Å
24	V	98.1	Very high	85.1	Confident	63 Å²	63	97.2 Å²	97.2	38%	0.382	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.9	102.1	-174.9	-173.9	0	0	0	0	110.1	Q22 C41 A42	Q22-V24 HydrophobicContact CG-CG2 3.72Å; Q22-V24 VanDerWaalsContact NE2-CG2 3.33Å; V24-C41 WeakPolarHBondContact O-CA 3.27Å; V24-A42 PolarHBondContact N-O 3.11Å; V24-A42 PolarHBondContact O-N 3.15Å
25	E	98.5	Very high	86.9	Confident	73 Å²	73	91 Å²	91	34%	0.341	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.6	142.1	177.7	-60.2	85.5	168.6	0	0	112.7	S40 C41 W55 Y116 C117	E25-S40 CarbonylContact C-O 3.46Å; E25-S40 VanDerWaalsContact CA-O 3.3Å; E25-S40 WeakPolarHBondContact CA-O 3.34Å; E25-C41 HydrophobicContact CG-CB 4.42Å; E25-W55 HydrophobicContact CG-CH2 4.07Å; E25-W55 HydrophobicContact CG-CZ3 3.87Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.38Å; E25-C117 PolarHBondContact OE1-N 2.89Å; E25-C117 PolarHBondContact OE1-SG 3.18Å
26	S	98.1	Very high	88.6	Confident	59 Å²	59	85.3 Å²	85.3	41%	0.413	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	172.2	-179.9	50.4	0	0	0	0	111.6	G28 L39 S40	S26-G28 VanDerWaalsContact C-N 3.32Å; S26-L39 WeakPolarHBondContact O-CA 3.42Å; S26-S40 PolarHBondContact N-O 2.79Å; S26-S40 PolarHBondContact O-N 3.2Å; S26-S40 PolarHBondContact OG-O 3.31Å; S26-S40 PolarHBondContact OG-OG 3.02Å
27	G	96.1	Very high	90.4	Very high	42 Å²	42	83.7 Å²	83.7	43%	0.433	51%	0.513	S	S	.	.			trans	85.4	-1	-179.8	0	0	0	0	0	114.8	L37	G27-L37 WeakPolarHBondContact O-CD2 3.43Å; G27-L37 WeakPolarHBondContact O-CG 3.49Å
28	G	92.5	Very high	92	Very high	58 Å²	58	83.6 Å²	83.6	60%	0.598	50%	0.499	S	S	*	.			trans	-61.1	166.2	173.3	0	0	0	0	0	113.3	S26	S26-G28 VanDerWaalsContact C-N 3.32Å
29	G	93.7	Very high	93.9	Very high	60 Å²	60	76.5 Å²	76.5	62%	0.619	47%	0.466	S	S	*	.			trans	164.2	166	179.7	0	0	0	0	0	111.8
30	L	92.2	Very high	95.3	Very high	160 Å²	160	72.2 Å²	72.2	84%	0.838	44%	0.438	S	S	*	.			trans	-85.1	124.8	172.3	-172.6	67.1	0	0	0	109.1
31	V	93.2	Very high	95.9	Very high	55 Å²	55	66 Å²	66	33%	0.333	41%	0.409	S	S	.	.			trans	-127.2	151	174.1	-62.6	0	0	0	0	109.6	L37 L107	V31-L37 HydrophobicContact CG1-CB 4.45Å; V31-L37 HydrophobicContact CG1-CD1 3.73Å; V31-L107 HydrophobicContact CG2-CD1 3.43Å; V31-L107 VanDerWaalsContact CG2-CD1 3.43Å
32	Q	92.2	Very high	96.1	Very high	164 Å²	164	64.9 Å²	64.9	77%	0.766	41%	0.407	S	S	*	.			trans	-68.2	150.3	174.6	-65.2	-178.8	4.8	0	0	110.3	G35	Q32-G35 WeakPolarHBondContact O-CA 3.23Å; Q32-G35 PolarHBondContact O-N 2.83Å
33	P	93.8	Very high	96.2	Very high	97 Å²	97	60 Å²	60	63%	0.63	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	142.5	170.5	-26.4	35	0	0	0	112.1	G35 L107	P33-G35 PolarHBondContact O-N 3.44Å; P33-L107 CarbonylContact C-O 3.49Å; P33-L107 WeakPolarHBondContact CA-O 3.34Å
34	G	95.1	Very high	96.1	Very high	44 Å²	44	60 Å²	60	45%	0.454	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-12.6	-171.1	0	0	0	0	0	114.1	L107	G34-L107 PolarHBondContact N-O 3.25Å
35	G	95.9	Very high	96	Very high	24 Å²	24	59.6 Å²	59.6	25%	0.247	40%	0.397	C	S	.	.			trans	-67	179.7	174.6	0	0	0	0	0	113.7	Q32 P33 N106 L107	Q32-G35 WeakPolarHBondContact O-CA 3.23Å; Q32-G35 PolarHBondContact O-N 2.83Å; P33-G35 PolarHBondContact O-N 3.44Å; G35-N106 PolarHBondContact O-N 3.47Å; G35-L107 PolarHBondContact O-N 3.44Å
36	S	96.1	Very high	95.8	Very high	70 Å²	70	57.6 Å²	57.6	49%	0.49	39%	0.388	S	S	.	.			trans	-135.1	148.7	179.6	-61.9	0	0	0	0	109.9	M104	S36-M104 VanDerWaalsContact CA-O 3.23Å; S36-M104 WeakPolarHBondContact CA-O 3.43Å; S36-M104 WeakPolarHBondContact CB-O 3.39Å
37	L	96.5	Very high	95.7	Very high	25 Å²	25	58.6 Å²	58.6	13%	0.131	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.1	-179.9	-171.2	135.3	0	0	0	109.2	G27 V31 L39 M104 L107	G27-L37 WeakPolarHBondContact O-CD2 3.43Å; G27-L37 WeakPolarHBondContact O-CG 3.49Å; V31-L37 HydrophobicContact CG1-CB 4.45Å; V31-L37 HydrophobicContact CG1-CD1 3.73Å; L37-L39 HydrophobicContact CD2-CD2 3.32Å; L37-L39 HydrophobicContact CD2-CG 3.89Å; L37-M104 HydrophobicContact CB-CE 4Å; L37-M104 HydrophobicContact CD2-CE 3.27Å; L37-M104 HydrophobicContact CG-CE 4.27Å; L37-M104 PolarHBondContact N-O 2.85Å; L37-M104 WeakPolarHBondContact O-CB 3.36Å; L37-M104 PolarHBondContact O-N 2.86Å; L37-L107 HydrophobicContact CB-CD1 3.91Å
38	R	97.9	Very high	95.8	Very high	126 Å²	126	56.7 Å²	56.7	48%	0.475	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.3	176.8	-176.4	179.2	178.1	-178.7	0.7	109.1	Y101 L102	R38-Y101 VanDerWaalsContact NH2-CE1 3.27Å; R38-Y101 VanDerWaalsContact NH2-CG 3.3Å; R38-L102 WeakPolarHBondContact CA-O 3.42Å
39	L	98.6	Very high	96.1	Very high	12 Å²	12	56 Å²	56	6%	0.063	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	150.3	169.1	-54.3	178.2	0	0	0	110.2	S26 L37 W55 Y101 L102 M104 Y115	S26-L39 WeakPolarHBondContact O-CA 3.42Å; L37-L39 HydrophobicContact CD2-CD2 3.32Å; L37-L39 HydrophobicContact CD2-CG 3.89Å; L39-W55 HydrophobicContact CB-CH2 3.77Å; L39-W55 HydrophobicContact CB-CZ2 3.96Å; L39-W55 HydrophobicContact CB-CZ3 4.36Å; L39-W55 HydrophobicContact CD1-CE3 4.48Å; L39-W55 HydrophobicContact CD1-CH2 4.4Å; L39-W55 HydrophobicContact CD1-CZ3 4.16Å; L39-Y101 VanDerWaalsContact O-CA 3.29Å; L39-Y101 WeakPolarHBondContact O-CA 3.21Å; L39-L102 HydrophobicContact CB-CB 4.13Å; L39-L102 HydrophobicContact CD1-CD2 4.1Å; L39-L102 PolarHBondContact N-O 3.36Å; L39-L102 PolarHBondContact O-N 2.94Å; L39-M104 HydrophobicContact CD1-CE 3.85Å; L39-M104 HydrophobicContact CD1-SD 4.35Å; L39-M104 HydrophobicContact CD2-CE 4.17Å; L39-M104 HydrophobicContact CG-CE 3.64Å; L39-Y115 VanDerWaalsContact CD1-CB 3.48Å; L39-Y115 HydrophobicContact CD1-CD1 3.93Å; L39-Y115 HydrophobicContact CD1-CD2 4.06Å; L39-Y115 HydrophobicContact CD1-CG 3.56Å
40	S	98.7	Very high	96.2	Very high	28 Å²	28	57.8 Å²	57.8	20%	0.196	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.7	169.6	37.9	0	0	0	0	110.3	E25 S26 L100	E25-S40 CarbonylContact C-O 3.46Å; E25-S40 VanDerWaalsContact CA-O 3.3Å; E25-S40 WeakPolarHBondContact CA-O 3.34Å; S26-S40 PolarHBondContact N-O 2.79Å; S26-S40 PolarHBondContact O-N 3.2Å; S26-S40 PolarHBondContact OG-O 3.31Å; S26-S40 PolarHBondContact OG-OG 3.02Å; S40-L100 CarbonylContact C-O 3.54Å; S40-L100 VanDerWaalsContact CA-O 3.3Å; S40-L100 WeakPolarHBondContact CA-O 3.28Å
41	C	98.7	Very high	96.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	111.7	171	160.4	0	0	0	0	108.8	V24 E25 W55 T99 L100 C117	V24-C41 WeakPolarHBondContact O-CA 3.27Å; E25-C41 HydrophobicContact CG-CB 4.42Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.78Å; C41-T99 WeakPolarHBondContact O-CA 3.45Å; C41-L100 HydrophobicContact CB-CB 4.2Å; C41-L100 PolarHBondContact N-O 3Å; C41-L100 PolarHBondContact O-N 3.36Å; C41-C117 HydrophobicContact CB-CB 3.4Å; C41-C117 WeakPolarHBondContact CB-SG 3.28Å; C41-C117 WeakPolarHBondContact SG-CB 3.2Å; C41-C117 CovalentContact SG-SG 2Å; C41-C117 PolarHBondContact SG-SG 3.07Å
42	A	98.4	Very high	96.7	Very high	46 Å²	46	54.4 Å²	54.4	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.4	174.4	0	0	0	0	0	109.4	L23 V24	L23-A42 WeakPolarHBondContact CA-O 3.32Å; V24-A42 PolarHBondContact N-O 3.11Å; V24-A42 PolarHBondContact O-N 3.15Å
43	A	98.2	Very high	97	Very high	8 Å²	8	46.7 Å²	46.7	7%	0.066	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.4	-177.6	0	0	0	0	0	111.8	Q22 L23 F46 F48 N98	Q22-A43 WeakPolarHBondContact O-CA 3.3Å; L23-A43 HydrophobicContact CD2-CB 3.67Å; A43-F46 HydrophobicContact CB-CE1 3.86Å; A43-F46 HydrophobicContact CB-CZ 3.7Å; A43-F48 HydrophobicContact CB-CD2 3.53Å; A43-F48 HydrophobicContact CB-CE2 4.05Å; A43-F48 HydrophobicContact CB-CG 4.44Å; A43-N98 HydrophobicContact CB-CB 4.48Å; A43-N98 WeakPolarHBondContact CB-O 3.22Å; A43-N98 PolarHBondContact N-O 3.15Å; A43-N98 WeakPolarHBondContact O-CB 3.35Å
44	S	96.4	Very high	97.3	Very high	47 Å²	47	42.7 Å²	42.7	33%	0.329	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	168	175.1	68.4	0	0	0	0	111.4	Q22 F46	Q22-S44 WeakPolarHBondContact CB-OG 3.3Å; Q22-S44 PolarHBondContact N-O 2.66Å; Q22-S44 PolarHBondContact O-N 3.3Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 VanDerWaalsContact O-CD1 3.31Å; S44-F46 WeakPolarHBondContact O-CD1 3.29Å; S44-F46 PolarHBondContact O-N 3.21Å
45	G	94.8	Very high	97.4	Very high	53 Å²	53	40.7 Å²	40.7	55%	0.546	24%	0.243	S	C	.	.	S	Bend	trans	81.2	5.7	-178	0	0	0	0	0	115
46	F	94.9	Very high	97.6	Very high	32 Å²	32	40.8 Å²	40.8	14%	0.14	24%	0.239	C	C	.	.	S	Bend	trans	-157	166.4	173.2	66	-81.3	0	0	0	112.1	V21 L23 A43 S44 F48 H51 M53 R119	V21-F46 HydrophobicContact CB-CD1 4.47Å; V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.88Å; V21-F46 HydrophobicContact CG2-CB 4.47Å; V21-F46 HydrophobicContact CG2-CD1 4.18Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 4.09Å; A43-F46 HydrophobicContact CB-CE1 3.86Å; A43-F46 HydrophobicContact CB-CZ 3.7Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 VanDerWaalsContact O-CD1 3.31Å; S44-F46 WeakPolarHBondContact O-CD1 3.29Å; S44-F46 PolarHBondContact O-N 3.21Å; F46-F48 HydrophobicContact CE2-CB 4.28Å; F46-F48 HydrophobicContact CE2-CD2 4.3Å; F46-F48 HydrophobicContact CZ-CD2 4.29Å; F46-F48 PolarHBondContact O-N 2.8Å; F46-H51 AromaticContact CD2-CD2 3.51Å; F46-H51 HydrophobicContact CE2-CB 4.26Å; F46-M53 HydrophobicContact CE2-SD 4.13Å; F46-M53 HydrophobicContact CZ-CE 4.36Å; F46-M53 HydrophobicContact CZ-SD 4.05Å; F46-R119 VanDerWaalsContact CD2-CD 3.46Å; F46-R119 HydrophobicContact CE2-CG 3.98Å; F46-R119 VanDerWaalsContact CG-NH1 3.3Å; F46-R119 HydrophobicContact CZ-CB 4.39Å; F46-R119 HydrophobicContact CZ-CG 4.25Å
47	T	96.5	Very high	97.6	Very high	80 Å²	80	38 Å²	38	49%	0.491	22%	0.218	S	C	.	.			trans	-75.2	86.5	175.7	-49.4	0	0	0	0	110.8	S49 D50 H51	T47-S49 WeakPolarHBondContact CG2-OG 3.35Å; T47-S49 PolarHBondContact O-N 3.47Å; T47-S49 VanDerWaalsContact O-N 3.1Å; T47-D50 HydrophobicContact CG2-CB 4.23Å; T47-D50 VanDerWaalsContact CG2-CG 3.48Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.38Å; T47-D50 PolarHBondContact O-N 2.93Å; T47-H51 PolarHBondContact O-CD2 2.85Å
48	F	97.7	Very high	97.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-49.2	-40.2	-176.3	177.8	-97.3	0	0	0	114	A43 F46 D50 H51 M53 R93 D95 N98 L100	A43-F48 HydrophobicContact CB-CD2 3.53Å; A43-F48 HydrophobicContact CB-CE2 4.05Å; A43-F48 HydrophobicContact CB-CG 4.44Å; F46-F48 HydrophobicContact CE2-CB 4.28Å; F46-F48 HydrophobicContact CE2-CD2 4.3Å; F46-F48 HydrophobicContact CZ-CD2 4.29Å; F46-F48 PolarHBondContact O-N 2.8Å; F48-D50 PolarHBondContact O-N 2.99Å; F48-D50 VanDerWaalsContact O-N 3.15Å; F48-H51 PolarHBondContact O-N 2.79Å; F48-M53 HydrophobicContact CD2-CG 4.11Å; F48-M53 HydrophobicContact CD2-SD 4.1Å; F48-M53 HydrophobicContact CE2-CE 4.17Å; F48-M53 HydrophobicContact CE2-CG 3.56Å; F48-M53 HydrophobicContact CE2-SD 4Å; F48-M53 HydrophobicContact CZ-CG 4.06Å; F48-R93 HydrophobicContact CE1-CB 4.18Å; F48-R93 HydrophobicContact CZ-CB 4.12Å; F48-R93 PolarHBondContact O-NH2 3.07Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.27Å; F48-N98 HydrophobicContact CB-CB 3.87Å; F48-N98 WeakPolarHBondContact CB-OD1 3.38Å; F48-N98 HydrophobicContact CD1-CB 4.41Å; F48-N98 HydrophobicContact CG-CB 4.04Å; F48-L100 HydrophobicContact CE2-CB 4.46Å; F48-L100 HydrophobicContact CZ-CB 4.36Å
49	S	97.8	Very high	97.6	Very high	42 Å²	42	35.8 Å²	35.8	29%	0.294	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-59.2	-24.8	179.7	58.5	0	0	0	0	114.2	T47 N72	T47-S49 WeakPolarHBondContact CG2-OG 3.35Å; T47-S49 PolarHBondContact O-N 3.47Å; T47-S49 VanDerWaalsContact O-N 3.1Å; S49-N72 WeakPolarHBondContact O-CB 3.48Å
50	D	97	Very high	97.4	Very high	99 Å²	99	44.5 Å²	44.5	53%	0.529	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-90.7	-16.4	-172.9	-64.2	-8.5	0	0	0	112.3	T47 F48 N72	T47-D50 HydrophobicContact CG2-CB 4.23Å; T47-D50 VanDerWaalsContact CG2-CG 3.48Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.38Å; T47-D50 PolarHBondContact O-N 2.93Å; F48-D50 PolarHBondContact O-N 2.99Å; F48-D50 VanDerWaalsContact O-N 3.15Å; D50-N72 PolarHBondContact O-ND2 3.49Å
51	H	97.9	Very high	97.2	Very high	66 Å²	66	47.1 Å²	47.1	31%	0.306	29%	0.288	S	S	.	.	S	Bend	trans	-103.8	154.8	-175.3	-68.1	-91.7	0	0	0	113.2	F46 T47 F48 R93 R119	F46-H51 AromaticContact CD2-CD2 3.51Å; F46-H51 HydrophobicContact CE2-CB 4.26Å; T47-H51 PolarHBondContact O-CD2 2.85Å; F48-H51 PolarHBondContact O-N 2.79Å; H51-R93 PolarHBondContact O-NH1 2.81Å; H51-R119 HydrophobicContact CB-CG 3.58Å; H51-R119 VanDerWaalsContact CG-CD 3.47Å; H51-R119 WeakPolarHBondContact ND1-CD 3.36Å; H51-R119 PolarHBondContact NE2-NH1 2.77Å
52	Y	98.4	Very high	97	Very high	78 Å²	78	54.2 Å²	54.2	31%	0.306	32%	0.319	S	S	.	.			trans	-78.2	152.1	164.7	-59	-6.3	0	0	0	108	L69 R71 N72 N75	Y52-L69 HydrophobicContact CD2-CD2 4.39Å; Y52-R71 HydrophobicContact CD1-CB 3.81Å; Y52-R71 HydrophobicContact CD1-CG 4.09Å; Y52-R71 HydrophobicContact CD2-CG 3.99Å; Y52-R71 HydrophobicContact CE1-CB 3.73Å; Y52-R71 HydrophobicContact CE1-CG 3.98Å; Y52-R71 HydrophobicContact CE2-CG 3.88Å; Y52-R71 HydrophobicContact CG-CB 4.27Å; Y52-R71 HydrophobicContact CG-CG 4.11Å; Y52-N72 HydrophobicContact CD1-CB 4.15Å; Y52-N72 VanDerWaalsContact CD1-N 3.31Å; Y52-N72 HydrophobicContact CE1-CB 4.24Å; Y52-N72 WeakPolarHBondContact CE1-OD1 3.33Å; Y52-N75 HydrophobicContact CE1-CB 4.44Å; Y52-N75 PolarHBondContact OH-ND2 2.85Å; Y52-N75 PolarHBondContact OH-OD1 2.81Å
53	M	98.7	Very high	96.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.1	-178.9	-63.3	-60.3	-54.1	0	0	108.5	L23 F46 F48 L69 I70 L100 A118 R119	L23-M53 HydrophobicContact CD2-CE 3.95Å; F46-M53 HydrophobicContact CE2-SD 4.13Å; F46-M53 HydrophobicContact CZ-CE 4.36Å; F46-M53 HydrophobicContact CZ-SD 4.05Å; F48-M53 HydrophobicContact CD2-CG 4.11Å; F48-M53 HydrophobicContact CD2-SD 4.1Å; F48-M53 HydrophobicContact CE2-CE 4.17Å; F48-M53 HydrophobicContact CE2-CG 3.56Å; F48-M53 HydrophobicContact CE2-SD 4Å; F48-M53 HydrophobicContact CZ-CG 4.06Å; M53-L69 WeakPolarHBondContact O-CA 3.49Å; M53-I70 HydrophobicContact CB-CG2 4.26Å; M53-I70 PolarHBondContact N-O 2.77Å; M53-I70 PolarHBondContact O-N 2.79Å; M53-L100 HydrophobicContact CB-CD1 3.74Å; M53-L100 HydrophobicContact CB-CD2 3.95Å; M53-L100 HydrophobicContact CB-CG 4.35Å; M53-A118 CarbonylContact C-O 3.57Å; M53-A118 WeakPolarHBondContact CA-O 3.43Å; M53-R119 HydrophobicContact CE-CB 4.21Å; M53-R119 HydrophobicContact SD-CB 3.88Å; M53-R119 HydrophobicContact SD-CG 3.93Å
54	S	98.6	Very high	96.8	Very high	14 Å²	14	60 Å²	60	10%	0.098	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157	-176.6	61.8	0	0	0	0	111.5	G68 C117 A118	S54-G68 CarbonylContact C-O 3.57Å; S54-G68 VanDerWaalsContact CA-O 3.22Å; S54-G68 WeakPolarHBondContact CA-O 3.38Å; S54-G68 WeakPolarHBondContact CB-O 3.4Å; S54-C117 CarbonylContact O-C 3.48Å; S54-C117 VanDerWaalsContact O-CA 3.28Å; S54-C117 WeakPolarHBondContact O-CA 3.44Å; S54-A118 PolarHBondContact N-O 2.93Å; S54-A118 PolarHBondContact O-N 3.33Å; S54-A118 PolarHBondContact OG-O 3.36Å
55	W	98.7	Very high	96.9	Very high	1 Å²	1	61 Å²	61	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.5	163.9	-77.8	101.3	0	0	0	108.7	E25 L39 C41 V67 G68 L100 L102 Y116 C117	E25-W55 HydrophobicContact CG-CH2 4.07Å; E25-W55 HydrophobicContact CG-CZ3 3.87Å; L39-W55 HydrophobicContact CB-CH2 3.77Å; L39-W55 HydrophobicContact CB-CZ2 3.96Å; L39-W55 HydrophobicContact CB-CZ3 4.36Å; L39-W55 HydrophobicContact CD1-CE3 4.48Å; L39-W55 HydrophobicContact CD1-CH2 4.4Å; L39-W55 HydrophobicContact CD1-CZ3 4.16Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.78Å; W55-V67 HydrophobicContact CB-CB 4.08Å; W55-V67 WeakPolarHBondContact O-CB 2.98Å; W55-V67 PolarHBondContact O-N 2.77Å; W55-G68 PolarHBondContact N-O 2.82Å; W55-G68 PolarHBondContact O-N 3.31Å; W55-L100 HydrophobicContact CD2-CD2 4.3Å; W55-L100 HydrophobicContact CG-CD2 4.22Å; W55-L100 HydrophobicContact CZ2-CD2 4.38Å; W55-L100 VanDerWaalsContact NE1-CD2 3.27Å; W55-L102 HydrophobicContact CB-CD2 4.26Å; W55-L102 HydrophobicContact CD2-CB 4.16Å; W55-L102 HydrophobicContact CD2-CD2 4.26Å; W55-L102 HydrophobicContact CG-CB 4.16Å; W55-L102 HydrophobicContact CG-CD1 4.33Å; W55-L102 HydrophobicContact CG-CD2 4.02Å; W55-L102 HydrophobicContact CG-CG 4.41Å; W55-L102 HydrophobicContact CZ2-CB 4.34Å; W55-Y116 WeakPolarHBondContact CA-O 3.31Å; W55-C117 HydrophobicContact CD2-CB 4.45Å; W55-C117 HydrophobicContact CE3-CB 4.24Å; W55-C117 HydrophobicContact CH2-CB 4.28Å; W55-C117 HydrophobicContact CZ2-CB 4.47Å; W55-C117 HydrophobicContact CZ3-CB 4.16Å
56	V	98.4	Very high	97	Very high	26 Å²	26	63 Å²	63	16%	0.158	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.6	174.1	-178	0	0	0	0	107.2	L64 E65 L66 Y115 Y116 A118	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.75Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-E65 CarbonylContact C-O 3.45Å; V56-E65 WeakPolarHBondContact CA-O 3.35Å; V56-L66 HydrophobicContact CG2-CD1 4.35Å; V56-Y115 WeakPolarHBondContact O-CA 3.03Å; V56-Y116 PolarHBondContact N-O 2.93Å; V56-Y116 PolarHBondContact O-N 2.92Å; V56-Y116 VanDerWaalsContact O-O 3.13Å; V56-A118 HydrophobicContact CG2-CB 4.42Å
57	R	97.4	Very high	97.1	Very high	12 Å²	12	61.5 Å²	61.5	5%	0.045	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.7	175.1	73.9	178.9	-178.5	179.2	4.6	111.9	L64 E65 V67 D111 A113 V114 Y115	R57-L64 WeakPolarHBondContact O-CA 3.45Å; R57-E65 HydrophobicContact CG-CB 4.14Å; R57-E65 IonicContact CZ-OE2 3.47Å; R57-E65 VanDerWaalsContact CZ-OE2 3.24Å; R57-E65 PolarHBondContact N-O 2.88Å; R57-E65 IonicContact NE-OE2 2.77Å; R57-E65 PolarHBondContact NE-OE2 2.92Å; R57-E65 IonicContact NH2-OE1 3.03Å; R57-E65 PolarHBondContact NH2-OE1 3.49Å; R57-E65 IonicContact NH2-OE2 2.79Å; R57-E65 PolarHBondContact NH2-OE2 3Å; R57-E65 PolarHBondContact O-N 3.04Å; R57-V67 HydrophobicContact CB-CG2 3.68Å; R57-V67 HydrophobicContact CG-CG2 3.52Å; R57-D111 IonicContact NH1-OD1 2.79Å; R57-D111 PolarHBondContact NH1-OD1 3.15Å; R57-A113 HydrophobicContact CB-CB 3.89Å; R57-A113 HydrophobicContact CG-CB 4.26Å; R57-V114 CarbonylContact C-O 3.57Å; R57-V114 WeakPolarHBondContact CA-O 3.1Å; R57-Y115 HydrophobicContact CB-CD1 3.79Å; R57-Y115 HydrophobicContact CB-CD2 4.46Å; R57-Y115 HydrophobicContact CB-CE1 3.71Å; R57-Y115 HydrophobicContact CB-CE2 4.39Å; R57-Y115 HydrophobicContact CB-CG 4.16Å; R57-Y115 HydrophobicContact CG-CE1 4.41Å
58	Q	97.5	Very high	97.2	Very high	78 Å²	78	57.7 Å²	57.7	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	107.5	172.6	-165	173	22.6	0	0	109.9	K62 L64 A113 V114 Y116	Q58-K62 WeakPolarHBondContact CG-O 3.43Å; Q58-K62 PolarHBondContact NE2-O 3.22Å; Q58-L64 HydrophobicContact CB-CD2 4Å; Q58-L64 HydrophobicContact CG-CD2 4.38Å; Q58-A113 WeakPolarHBondContact O-CA 3.41Å; Q58-A113 WeakPolarHBondContact O-CB 3.49Å; Q58-V114 PolarHBondContact N-O 2.8Å; Q58-V114 PolarHBondContact O-N 3.32Å; Q58-Y116 HydrophobicContact CB-CE2 4.3Å
59	A	95.9	Very high	97.3	Very high	26 Å²	26	59.5 Å²	59.5	22%	0.215	33%	0.332	C	S	.	.			trans	-76.8	155.1	170.9	0	0	0	0	0	110.4	G61 K62 A113	A59-G61 PolarHBondContact O-N 2.96Å; A59-K62 HydrophobicContact CB-CB 4.05Å; A59-K62 HydrophobicContact CB-CG 3.93Å; A59-K62 PolarHBondContact O-N 3.3Å; A59-A113 HydrophobicContact CB-CB 4.31Å
60	Q	94	Very high	97.3	Very high	196 Å²	196	57.9 Å²	57.9	92%	0.916	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125.1	-178.8	-170.5	178.5	10.7	0	0	111.1	K62	Q60-K62 PolarHBondContact O-N 2.95Å
61	G	95.6	Very high	97.4	Very high	83 Å²	83	55.9 Å²	55.9	86%	0.856	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	11.6	-178	0	0	0	0	0	114.8	A59	A59-G61 PolarHBondContact O-N 2.96Å
62	K	94.3	Very high	97.4	Very high	148 Å²	148	53.8 Å²	53.8	64%	0.643	30%	0.296	S	S	*	.			trans	-112.7	161.5	175.1	-58.7	-63.8	-174.7	178.9	0	110.9	Q58 A59 Q60	Q58-K62 WeakPolarHBondContact CG-O 3.43Å; Q58-K62 PolarHBondContact NE2-O 3.22Å; A59-K62 HydrophobicContact CB-CB 4.05Å; A59-K62 HydrophobicContact CB-CG 3.93Å; A59-K62 PolarHBondContact O-N 3.3Å; Q60-K62 PolarHBondContact O-N 2.95Å
63	G	95.4	Very high	97.4	Very high	56 Å²	56	57 Å²	57	58%	0.577	31%	0.312	S	S	*	.			trans	-72.2	179.9	169.9	0	0	0	0	0	112.3
64	L	97.3	Very high	97.3	Very high	120 Å²	120	61.1 Å²	61.1	63%	0.628	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	136.2	172	-66.5	168	0	0	0	110.3	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.75Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; R57-L64 WeakPolarHBondContact O-CA 3.45Å; Q58-L64 HydrophobicContact CB-CD2 4Å; Q58-L64 HydrophobicContact CG-CD2 4.38Å
65	E	97.1	Very high	97.3	Very high	67 Å²	67	63.4 Å²	63.4	31%	0.313	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.9	175.1	-176.9	-172.4	-178.5	0	0	109.1	V56 R57 V67 S84	V56-E65 CarbonylContact C-O 3.45Å; V56-E65 WeakPolarHBondContact CA-O 3.35Å; R57-E65 HydrophobicContact CG-CB 4.14Å; R57-E65 IonicContact CZ-OE2 3.47Å; R57-E65 VanDerWaalsContact CZ-OE2 3.24Å; R57-E65 PolarHBondContact N-O 2.88Å; R57-E65 IonicContact NE-OE2 2.77Å; R57-E65 PolarHBondContact NE-OE2 2.92Å; R57-E65 IonicContact NH2-OE1 3.03Å; R57-E65 PolarHBondContact NH2-OE1 3.49Å; R57-E65 IonicContact NH2-OE2 2.79Å; R57-E65 PolarHBondContact NH2-OE2 3Å; R57-E65 PolarHBondContact O-N 3.04Å; E65-V67 PolarHBondContact O-N 3.42Å; E65-S84 PolarHBondContact OE1-OG 2.91Å
66	L	97.8	Very high	97.3	Very high	96 Å²	96	68.1 Å²	68.1	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	120.5	170.3	178.8	66.9	0	0	0	109	V56 A82	V56-L66 HydrophobicContact CG2-CD1 4.35Å; L66-A82 WeakPolarHBondContact O-CB 3.49Å
67	V	98.1	Very high	97.2	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-45.1	178.6	177.5	0	0	0	0	110.3	W55 R57 E65 A82 V85 L89 L102 Y115	W55-V67 HydrophobicContact CB-CB 4.08Å; W55-V67 WeakPolarHBondContact O-CB 2.98Å; W55-V67 PolarHBondContact O-N 2.77Å; R57-V67 HydrophobicContact CB-CG2 3.68Å; R57-V67 HydrophobicContact CG-CG2 3.52Å; E65-V67 PolarHBondContact O-N 3.42Å; V67-A82 PolarHBondContact O-N 3.03Å; V67-V85 HydrophobicContact CG1-CG1 4.36Å; V67-V85 HydrophobicContact CG1-CG2 3.97Å; V67-V85 VanDerWaalsContact O-CG2 3.3Å; V67-V85 WeakPolarHBondContact O-CG2 2.95Å; V67-L89 HydrophobicContact CG1-CD2 3.73Å; V67-L102 HydrophobicContact CG1-CD1 4.33Å; V67-L102 HydrophobicContact CG1-CD2 4.24Å; V67-Y115 HydrophobicContact CG2-CD1 4.28Å; V67-Y115 HydrophobicContact CG2-CE1 3.93Å
68	G	98.3	Very high	97.3	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.01	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	164.9	177.6	0	0	0	0	0	112.4	S54 W55 E80	S54-G68 CarbonylContact C-O 3.57Å; S54-G68 VanDerWaalsContact CA-O 3.22Å; S54-G68 WeakPolarHBondContact CA-O 3.38Å; S54-G68 WeakPolarHBondContact CB-O 3.4Å; W55-G68 PolarHBondContact N-O 2.82Å; W55-G68 PolarHBondContact O-N 3.31Å; G68-E80 CarbonylContact C-O 3.56Å; G68-E80 WeakPolarHBondContact CA-O 3.44Å
69	L	98.3	Very high	97.3	Very high	39 Å²	39	72.9 Å²	72.9	20%	0.204	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.7	-179.5	176.4	146.6	0	0	0	109.5	Y52 M53 R71 T79 E80	Y52-L69 HydrophobicContact CD2-CD2 4.39Å; M53-L69 WeakPolarHBondContact O-CA 3.49Å; L69-R71 HydrophobicContact CD2-CG 3.75Å; L69-T79 CarbonylContact O-C 3.58Å; L69-T79 VanDerWaalsContact O-CA 3.27Å; L69-T79 WeakPolarHBondContact O-CA 3.39Å; L69-E80 PolarHBondContact N-O 3.11Å; L69-E80 PolarHBondContact O-N 3.04Å
70	I	98.7	Very high	97.4	Very high	8 Å²	8	76.4 Å²	76.4	4%	0.041	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.6	170.6	-173.4	160.3	0	0	0	109.3	M53 T79 I91 R93 L100	M53-I70 HydrophobicContact CB-CG2 4.26Å; M53-I70 PolarHBondContact N-O 2.77Å; M53-I70 PolarHBondContact O-N 2.79Å; I70-T79 HydrophobicContact CB-CG2 4.22Å; I70-T79 HydrophobicContact CD1-CG2 3.92Å; I70-T79 HydrophobicContact CG1-CG2 3.95Å; I70-I91 HydrophobicContact CB-CD1 4.05Å; I70-I91 HydrophobicContact CB-CG1 4.16Å; I70-I91 HydrophobicContact CB-CG2 4.05Å; I70-I91 HydrophobicContact CG2-CD1 3.74Å; I70-I91 HydrophobicContact CG2-CG1 3.92Å; I70-R93 HydrophobicContact CD1-CB 4.31Å; I70-R93 HydrophobicContact CD1-CG 3.71Å; I70-R93 HydrophobicContact CG1-CG 4.23Å; I70-R93 HydrophobicContact CG2-CB 4.36Å; I70-R93 HydrophobicContact CG2-CG 4.44Å; I70-L100 HydrophobicContact CG2-CD1 3.43Å; I70-L100 VanDerWaalsContact CG2-CD1 3.43Å
71	R	98.6	Very high	97.6	Very high	58 Å²	58	70.2 Å²	70.2	22%	0.219	40%	0.397	C	S	.	.			trans	-75.3	168.7	177.3	-63	-172.9	174.1	72.6	-1.3	111.7	Y52 L69 N75 T78 E80 R93	Y52-R71 HydrophobicContact CD1-CB 3.81Å; Y52-R71 HydrophobicContact CD1-CG 4.09Å; Y52-R71 HydrophobicContact CD2-CG 3.99Å; Y52-R71 HydrophobicContact CE1-CB 3.73Å; Y52-R71 HydrophobicContact CE1-CG 3.98Å; Y52-R71 HydrophobicContact CE2-CG 3.88Å; Y52-R71 HydrophobicContact CG-CB 4.27Å; Y52-R71 HydrophobicContact CG-CG 4.11Å; L69-R71 HydrophobicContact CD2-CG 3.75Å; R71-N75 HydrophobicContact CB-CB 3.72Å; R71-N75 HydrophobicContact CG-CB 4.29Å; R71-T78 PolarHBondContact N-O 2.88Å; R71-E80 IonicContact CZ-OE1 3.11Å; R71-E80 IonicContact NH1-OE1 2.71Å; R71-E80 PolarHBondContact NH1-OE1 2.92Å; R71-E80 IonicContact NH2-OE1 2.64Å; R71-E80 PolarHBondContact NH2-OE1 2.79Å; R71-R93 PolarHBondContact O-NH1 3.16Å
72	N	98.1	Very high	97.7	Very high	21 Å²	21	67.2 Å²	67.2	11%	0.112	37%	0.365	C	S	.	.			trans	-73.1	175.8	174.1	66.8	9.8	0	0	0	112.2	S49 D50 Y52 A74 N75 Y77	S49-N72 WeakPolarHBondContact O-CB 3.48Å; D50-N72 PolarHBondContact O-ND2 3.49Å; Y52-N72 HydrophobicContact CD1-CB 4.15Å; Y52-N72 VanDerWaalsContact CD1-N 3.31Å; Y52-N72 HydrophobicContact CE1-CB 4.24Å; Y52-N72 WeakPolarHBondContact CE1-OD1 3.33Å; N72-A74 VanDerWaalsContact C-N 3.28Å; N72-A74 PolarHBondContact O-N 2.87Å; N72-A74 PolarHBondContact OD1-N 2.78Å; N72-N75 CarbonylContact O-C 3.48Å; N72-N75 PolarHBondContact O-N 2.82Å; N72-N75 VanDerWaalsContact O-N 3.08Å; N72-N75 PolarHBondContact OD1-N 2.84Å; N72-N75 PolarHBondContact OD1-ND2 2.9Å; N72-Y77 PolarHBondContact O-N 2.87Å; N72-Y77 VanDerWaalsContact O-N 3.16Å
73	K	97.5	Very high	97.8	Very high	147 Å²	147	64.9 Å²	64.9	64%	0.639	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-57	-39.2	178.4	-172.9	172.4	176.1	176.7	0	113.2	N75 S76 Y77	K73-N75 PolarHBondContact O-N 2.8Å; K73-N75 VanDerWaalsContact O-N 3.14Å; K73-S76 PolarHBondContact O-N 2.83Å; K73-Y77 HydrophobicContact CB-CE1 3.99Å; K73-Y77 HydrophobicContact CB-CE2 4Å; K73-Y77 WeakPolarHBondContact CB-OH 3.3Å; K73-Y77 HydrophobicContact CG-CE2 3.83Å
74	A	97.9	Very high	97.7	Very high	87 Å²	87	64.3 Å²	64.3	72%	0.719	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-61.7	-22.1	179.8	0	0	0	0	0	112.9	N72	N72-A74 VanDerWaalsContact C-N 3.28Å; N72-A74 PolarHBondContact O-N 2.87Å; N72-A74 PolarHBondContact OD1-N 2.78Å
75	N	98.1	Very high	97.6	Very high	61 Å²	61	58.6 Å²	58.6	33%	0.326	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-112.9	33.8	177.3	-65.5	-92.6	0	0	0	111.5	Y52 R71 N72 K73 Y77 T78	Y52-N75 HydrophobicContact CE1-CB 4.44Å; Y52-N75 PolarHBondContact OH-ND2 2.85Å; Y52-N75 PolarHBondContact OH-OD1 2.81Å; R71-N75 HydrophobicContact CB-CB 3.72Å; R71-N75 HydrophobicContact CG-CB 4.29Å; N72-N75 CarbonylContact O-C 3.48Å; N72-N75 PolarHBondContact O-N 2.82Å; N72-N75 VanDerWaalsContact O-N 3.08Å; N72-N75 PolarHBondContact OD1-N 2.84Å; N72-N75 PolarHBondContact OD1-ND2 2.9Å; K73-N75 PolarHBondContact O-N 2.8Å; K73-N75 VanDerWaalsContact O-N 3.14Å; N75-Y77 PolarHBondContact O-N 3.23Å; N75-Y77 VanDerWaalsContact O-N 3.07Å; N75-T78 PolarHBondContact O-N 3.39Å; N75-T78 VanDerWaalsContact O-N 3.11Å; N75-T78 PolarHBondContact O-OG1 3.1Å
76	S	98	Very high	97.5	Very high	100 Å²	100	63 Å²	63	70%	0.699	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	26.8	171.8	-54.9	0	0	0	0	114.8	K73 T78	K73-S76 PolarHBondContact O-N 2.83Å; S76-T78 PolarHBondContact O-N 3Å; S76-T78 VanDerWaalsContact O-N 3.1Å
77	Y	98.3	Very high	97.3	Very high	90 Å²	90	62.1 Å²	62.1	35%	0.353	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	27.8	-176.8	-58.3	-69.3	0	0	0	113.7	N72 K73 N75 T79 R93 D95	N72-Y77 PolarHBondContact O-N 2.87Å; N72-Y77 VanDerWaalsContact O-N 3.16Å; K73-Y77 HydrophobicContact CB-CE1 3.99Å; K73-Y77 HydrophobicContact CB-CE2 4Å; K73-Y77 WeakPolarHBondContact CB-OH 3.3Å; K73-Y77 HydrophobicContact CG-CE2 3.83Å; N75-Y77 PolarHBondContact O-N 3.23Å; N75-Y77 VanDerWaalsContact O-N 3.07Å; Y77-T79 PolarHBondContact O-N 3.33Å; Y77-R93 HydrophobicContact CD1-CG 4.12Å; Y77-R93 HydrophobicContact CE1-CG 4.23Å; Y77-D95 WeakPolarHBondContact CE1-OD2 3.48Å; Y77-D95 PolarHBondContact OH-OD2 2.64Å
78	T	98.3	Very high	97.2	Very high	70 Å²	70	63.6 Å²	63.6	43%	0.429	37%	0.368	S	S	.	.			trans	-59.5	130.7	-176	-53.8	0	0	0	0	110.6	R71 N75 S76	R71-T78 PolarHBondContact N-O 2.88Å; N75-T78 PolarHBondContact O-N 3.39Å; N75-T78 VanDerWaalsContact O-N 3.11Å; N75-T78 PolarHBondContact O-OG1 3.1Å; S76-T78 PolarHBondContact O-N 3Å; S76-T78 VanDerWaalsContact O-N 3.1Å
79	T	98.5	Very high	97.2	Very high	56 Å²	56	63.7 Å²	63.7	34%	0.344	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.3	-177.9	59.5	0	0	0	0	112.7	L69 I70 Y77 Y81 I91	L69-T79 CarbonylContact O-C 3.58Å; L69-T79 VanDerWaalsContact O-CA 3.27Å; L69-T79 WeakPolarHBondContact O-CA 3.39Å; I70-T79 HydrophobicContact CB-CG2 4.22Å; I70-T79 HydrophobicContact CD1-CG2 3.92Å; I70-T79 HydrophobicContact CG1-CG2 3.95Å; Y77-T79 PolarHBondContact O-N 3.33Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.22Å; T79-I91 HydrophobicContact CG2-CG2 3.67Å
80	E	97.9	Very high	97.2	Very high	101 Å²	101	65.4 Å²	65.4	47%	0.472	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.3	170.1	-72.3	174.8	-137	0	0	110.3	G68 L69 R71	G68-E80 CarbonylContact C-O 3.56Å; G68-E80 WeakPolarHBondContact CA-O 3.44Å; L69-E80 PolarHBondContact N-O 3.11Å; L69-E80 PolarHBondContact O-N 3.04Å; R71-E80 IonicContact CZ-OE1 3.11Å; R71-E80 IonicContact NH1-OE1 2.71Å; R71-E80 PolarHBondContact NH1-OE1 2.92Å; R71-E80 IonicContact NH2-OE1 2.64Å; R71-E80 PolarHBondContact NH2-OE1 2.79Å
81	Y	98.4	Very high	97.1	Very high	65 Å²	65	65.3 Å²	65.3	26%	0.255	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.6	-174.4	-63.5	-84.5	0	0	0	110.8	T79 L89 I91	T79-Y81 WeakPolarHBondContact OG1-CE2 3.22Å; Y81-L89 VanDerWaalsContact CE1-O 3.28Å; Y81-L89 WeakPolarHBondContact CE1-O 2.99Å; Y81-I91 HydrophobicContact CE1-CB 4.21Å; Y81-I91 HydrophobicContact CE1-CG2 3.8Å; Y81-I91 PolarHBondContact OH-N 2.77Å
82	A	97.3	Very high	97.1	Very high	21 Å²	21	64.8 Å²	64.8	17%	0.174	39%	0.386	C	S	.	.			trans	-62.4	146.2	165.4	0	0	0	0	0	111.2	L66 V67 S84 V85 K86	L66-A82 WeakPolarHBondContact O-CB 3.49Å; V67-A82 PolarHBondContact O-N 3.03Å; A82-S84 PolarHBondContact O-N 2.83Å; A82-V85 HydrophobicContact CB-CG2 3.99Å; A82-V85 VanDerWaalsContact O-CG2 3.3Å; A82-V85 WeakPolarHBondContact O-CG2 3.35Å; A82-V85 PolarHBondContact O-N 3.2Å; A82-V85 VanDerWaalsContact O-N 3.15Å; A82-K86 PolarHBondContact O-N 3.41Å; A82-K86 VanDerWaalsContact O-N 3.07Å
83	A	96.1	Very high	97.1	Very high	98 Å²	98	65.2 Å²	65.2	81%	0.81	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.8	179.8	0	0	0	0	0	112.6	V85	A83-V85 PolarHBondContact O-N 3.17Å
84	S	93.4	Very high	97.2	Very high	45 Å²	45	61 Å²	61	32%	0.315	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.5	179.8	54.4	0	0	0	0	113.9	E65 A82 R88	E65-S84 PolarHBondContact OE1-OG 2.91Å; A82-S84 PolarHBondContact O-N 2.83Å; S84-R88 PolarHBondContact O-NH2 3.18Å
85	V	95.7	Very high	97.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-9.3	-171.7	-64.1	0	0	0	0	113.8	V67 A82 A83 G87 R88 L89	V67-V85 HydrophobicContact CG1-CG1 4.36Å; V67-V85 HydrophobicContact CG1-CG2 3.97Å; V67-V85 VanDerWaalsContact O-CG2 3.3Å; V67-V85 WeakPolarHBondContact O-CG2 2.95Å; A82-V85 HydrophobicContact CB-CG2 3.99Å; A82-V85 VanDerWaalsContact O-CG2 3.3Å; A82-V85 WeakPolarHBondContact O-CG2 3.35Å; A82-V85 PolarHBondContact O-N 3.2Å; A82-V85 VanDerWaalsContact O-N 3.15Å; A83-V85 PolarHBondContact O-N 3.17Å; V85-G87 PolarHBondContact O-N 3.19Å; V85-R88 PolarHBondContact O-N 3.14Å; V85-L89 HydrophobicContact CB-CB 4.19Å; V85-L89 HydrophobicContact CB-CD1 3.82Å; V85-L89 HydrophobicContact CB-CD2 3.93Å; V85-L89 HydrophobicContact CB-CG 4.16Å; V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 HydrophobicContact CG1-CD2 3.82Å; V85-L89 HydrophobicContact CG1-CG 4.45Å; V85-L89 PolarHBondContact O-N 2.86Å
86	K	94.1	Very high	97.2	Very high	158 Å²	158	60.6 Å²	60.6	69%	0.687	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	128.6	-177.5	-169.3	174.4	-175.8	176.9	0	111.1	A82 R88	A82-K86 PolarHBondContact O-N 3.41Å; A82-K86 VanDerWaalsContact O-N 3.07Å; K86-R88 VanDerWaalsContact C-N 3.3Å; K86-R88 PolarHBondContact O-N 3.13Å
87	G	94.4	Very high	97.2	Very high	79 Å²	79	61.5 Å²	61.5	81%	0.814	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-5.6	179.7	0	0	0	0	0	115.6	V85	V85-G87 PolarHBondContact O-N 3.19Å
88	R	95.6	Very high	97.1	Very high	30 Å²	30	60.2 Å²	60.2	11%	0.113	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-34.8	177.3	-59.7	-175	-59.4	104.7	-2.9	112.9	S84 V85 K86 S105 D111	S84-R88 PolarHBondContact O-NH2 3.18Å; V85-R88 PolarHBondContact O-N 3.14Å; K86-R88 VanDerWaalsContact C-N 3.3Å; K86-R88 PolarHBondContact O-N 3.13Å; R88-S105 PolarHBondContact O-N 3.17Å; R88-S105 VanDerWaalsContact O-N 3.14Å; R88-S105 PolarHBondContact O-OG 3.34Å; R88-D111 IonicContact CZ-OD1 3.69Å; R88-D111 IonicContact CZ-OD2 3.51Å; R88-D111 IonicContact NH1-OD1 3.51Å; R88-D111 IonicContact NH1-OD2 2.67Å; R88-D111 PolarHBondContact NH1-OD2 3.11Å; R88-D111 IonicContact NH2-OD1 2.92Å; R88-D111 PolarHBondContact NH2-OD1 2.8Å; R88-D111 IonicContact NH2-OD2 3.49Å; R88-D111 PolarHBondContact NH2-OD2 2.91Å
89	L	97.2	Very high	97.2	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.5	179.8	-71.9	66.8	0	0	0	109.4	V67 Y81 V85 L102 Q103 M104	V67-L89 HydrophobicContact CG1-CD2 3.73Å; Y81-L89 VanDerWaalsContact CE1-O 3.28Å; Y81-L89 WeakPolarHBondContact CE1-O 2.99Å; V85-L89 HydrophobicContact CB-CB 4.19Å; V85-L89 HydrophobicContact CB-CD1 3.82Å; V85-L89 HydrophobicContact CB-CD2 3.93Å; V85-L89 HydrophobicContact CB-CG 4.16Å; V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 HydrophobicContact CG1-CD2 3.82Å; V85-L89 HydrophobicContact CG1-CG 4.45Å; V85-L89 PolarHBondContact O-N 2.86Å; L89-L102 HydrophobicContact CB-CD1 4.24Å; L89-L102 HydrophobicContact CD2-CD1 4.42Å; L89-L102 HydrophobicContact CD2-CD2 4.15Å; L89-L102 HydrophobicContact CD2-CG 4.44Å; L89-Q103 CarbonylContact C-O 3.57Å; L89-Q103 WeakPolarHBondContact CA-O 3.3Å; L89-M104 HydrophobicContact CD2-CG 3.98Å; L89-M104 HydrophobicContact CD2-SD 4.08Å; L89-M104 HydrophobicContact CG-CB 4.2Å; L89-M104 HydrophobicContact CG-CG 3.86Å
90	T	98	Very high	97.2	Very high	76 Å²	76	55 Å²	55	47%	0.466	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.3	179.3	-58	0	0	0	0	109.5	Q103	T90-Q103 PolarHBondContact N-O 2Å; T90-Q103 PolarHBondContact O-N 2.92Å
91	I	98.5	Very high	97.2	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.3	172.9	-168	169.5	0	0	0	108.9	I70 T79 Y81 L100 Y101 L102	I70-I91 HydrophobicContact CB-CD1 4.05Å; I70-I91 HydrophobicContact CB-CG1 4.16Å; I70-I91 HydrophobicContact CB-CG2 4.05Å; I70-I91 HydrophobicContact CG2-CD1 3.74Å; I70-I91 HydrophobicContact CG2-CG1 3.92Å; T79-I91 HydrophobicContact CG2-CG2 3.67Å; Y81-I91 HydrophobicContact CE1-CB 4.21Å; Y81-I91 HydrophobicContact CE1-CG2 3.8Å; Y81-I91 PolarHBondContact OH-N 2.77Å; I91-L100 HydrophobicContact CD1-CD1 4.01Å; I91-L100 HydrophobicContact CD1-CD2 4.42Å; I91-L100 HydrophobicContact CG1-CD1 3.93Å; I91-L100 HydrophobicContact CG1-CG 4.47Å; I91-Y101 WeakPolarHBondContact CA-O 3.48Å; I91-L102 HydrophobicContact CB-CD1 4.47Å
92	S	98.3	Very high	97.2	Very high	47 Å²	47	48.5 Å²	48.5	33%	0.329	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161	173.6	55.3	0	0	0	0	109.9	Y101	S92-Y101 PolarHBondContact N-O 3.48Å; S92-Y101 PolarHBondContact O-N 2.92Å
93	R	98.4	Very high	97.3	Very high	29 Å²	29	51.2 Å²	51.2	11%	0.109	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.3	-179.5	64	-173.9	-79.9	162.5	9.2	110.8	F48 H51 I70 R71 Y77 D95 T99 L100	F48-R93 HydrophobicContact CE1-CB 4.18Å; F48-R93 HydrophobicContact CZ-CB 4.12Å; F48-R93 PolarHBondContact O-NH2 3.07Å; H51-R93 PolarHBondContact O-NH1 2.81Å; I70-R93 HydrophobicContact CD1-CB 4.31Å; I70-R93 HydrophobicContact CD1-CG 3.71Å; I70-R93 HydrophobicContact CG1-CG 4.23Å; I70-R93 HydrophobicContact CG2-CB 4.36Å; I70-R93 HydrophobicContact CG2-CG 4.44Å; R71-R93 PolarHBondContact O-NH1 3.16Å; Y77-R93 HydrophobicContact CD1-CG 4.12Å; Y77-R93 HydrophobicContact CE1-CG 4.23Å; R93-D95 IonicContact CZ-OD1 3.2Å; R93-D95 IonicContact NE-OD1 2.79Å; R93-D95 PolarHBondContact NE-OD1 3.34Å; R93-D95 IonicContact NH2-OD1 2.77Å; R93-D95 PolarHBondContact NH2-OD1 2.83Å; R93-T99 WeakPolarHBondContact CA-O 3.38Å; R93-L100 HydrophobicContact CB-CD1 4.14Å
94	E	98.1	Very high	97.3	Very high	60 Å²	60	46.9 Å²	46.9	28%	0.28	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	101.3	174	-173.3	173.1	175.1	0	0	109.4	S96 K97 N98 T99 Y101	E94-S96 VanDerWaalsContact C-N 3.34Å; E94-S96 WeakPolarHBondContact CG-OG 3.46Å; E94-S96 PolarHBondContact O-N 2.71Å; E94-S96 PolarHBondContact OE1-OG 3.08Å; E94-K97 VanDerWaalsContact CD-CD 3.46Å; E94-K97 HydrophobicContact CG-CB 4.23Å; E94-K97 HydrophobicContact CG-CD 4.33Å; E94-K97 HydrophobicContact CG-CG 4.1Å; E94-K97 PolarHBondContact O-N 2.74Å; E94-K97 VanDerWaalsContact O-N 3.17Å; E94-K97 WeakPolarHBondContact OE1-CD 3.38Å; E94-K97 WeakPolarHBondContact OE1-CE 3.43Å; E94-K97 IonicContact OE1-NZ 2.8Å; E94-K97 PolarHBondContact OE1-NZ 3.28Å; E94-K97 WeakPolarHBondContact OE2-CD 3.4Å; E94-K97 IonicContact OE2-NZ 3.24Å; E94-K97 PolarHBondContact OE2-NZ 2.77Å; E94-N98 PolarHBondContact O-N 3.03Å; E94-N98 VanDerWaalsContact O-N 3.14Å; E94-T99 PolarHBondContact N-O 3.1Å; E94-T99 PolarHBondContact O-N 3.14Å; E94-T99 VanDerWaalsContact O-N 3.17Å; E94-Y101 HydrophobicContact CB-CE2 4Å
95	D	98	Very high	97.4	Very high	34 Å²	34	47 Å²	47	18%	0.182	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65.8	-35	-172.2	-66	-26.8	0	0	0	112.6	F48 Y77 R93 K97 N98	F48-D95 WeakPolarHBondContact CE1-OD1 3.27Å; Y77-D95 WeakPolarHBondContact CE1-OD2 3.48Å; Y77-D95 PolarHBondContact OH-OD2 2.64Å; R93-D95 IonicContact CZ-OD1 3.2Å; R93-D95 IonicContact NE-OD1 2.79Å; R93-D95 PolarHBondContact NE-OD1 3.34Å; R93-D95 IonicContact NH2-OD1 2.77Å; R93-D95 PolarHBondContact NH2-OD1 2.83Å; D95-K97 PolarHBondContact O-N 2.78Å; D95-N98 PolarHBondContact O-N 3.22Å; D95-N98 PolarHBondContact O-OD1 3.33Å; D95-N98 VanDerWaalsContact O-OD1 3.13Å
96	S	97.6	Very high	97.4	Very high	104 Å²	104	51.6 Å²	51.6	73%	0.727	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.7	177	53.3	0	0	0	0	113.7	E94	E94-S96 VanDerWaalsContact C-N 3.34Å; E94-S96 WeakPolarHBondContact CG-OG 3.46Å; E94-S96 PolarHBondContact O-N 2.71Å; E94-S96 PolarHBondContact OE1-OG 3.08Å
97	K	98	Very high	97.5	Very high	120 Å²	120	44.8 Å²	44.8	52%	0.522	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-110.3	2.9	178.5	-63.2	-172.3	-171.4	136.9	0	113	E94 D95 T99	E94-K97 VanDerWaalsContact CD-CD 3.46Å; E94-K97 HydrophobicContact CG-CB 4.23Å; E94-K97 HydrophobicContact CG-CD 4.33Å; E94-K97 HydrophobicContact CG-CG 4.1Å; E94-K97 PolarHBondContact O-N 2.74Å; E94-K97 VanDerWaalsContact O-N 3.17Å; E94-K97 WeakPolarHBondContact OE1-CD 3.38Å; E94-K97 WeakPolarHBondContact OE1-CE 3.43Å; E94-K97 IonicContact OE1-NZ 2.8Å; E94-K97 PolarHBondContact OE1-NZ 3.28Å; E94-K97 WeakPolarHBondContact OE2-CD 3.4Å; E94-K97 IonicContact OE2-NZ 3.24Å; E94-K97 PolarHBondContact OE2-NZ 2.77Å; D95-K97 PolarHBondContact O-N 2.78Å; K97-T99 PolarHBondContact O-N 2.97Å; K97-T99 VanDerWaalsContact O-N 3.11Å; K97-T99 PolarHBondContact O-OG1 3.3Å
98	N	98.1	Very high	97.5	Very high	63 Å²	63	45.5 Å²	45.5	34%	0.337	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	41	-171.3	-57.7	-32.3	0	0	0	112.6	A43 F48 E94 D95	A43-N98 HydrophobicContact CB-CB 4.48Å; A43-N98 WeakPolarHBondContact CB-O 3.22Å; A43-N98 PolarHBondContact N-O 3.15Å; A43-N98 WeakPolarHBondContact O-CB 3.35Å; F48-N98 HydrophobicContact CB-CB 3.87Å; F48-N98 WeakPolarHBondContact CB-OD1 3.38Å; F48-N98 HydrophobicContact CD1-CB 4.41Å; F48-N98 HydrophobicContact CG-CB 4.04Å; E94-N98 PolarHBondContact O-N 3.03Å; E94-N98 VanDerWaalsContact O-N 3.14Å; D95-N98 PolarHBondContact O-N 3.22Å; D95-N98 PolarHBondContact O-OD1 3.33Å; D95-N98 VanDerWaalsContact O-OD1 3.13Å
99	T	98.7	Very high	97.4	Very high	16 Å²	16	49.4 Å²	49.4	10%	0.098	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.6	-171.8	-56.3	0	0	0	0	111.6	C41 R93 E94 K97 Y101	C41-T99 WeakPolarHBondContact O-CA 3.45Å; R93-T99 WeakPolarHBondContact CA-O 3.38Å; E94-T99 PolarHBondContact N-O 3.1Å; E94-T99 PolarHBondContact O-N 3.14Å; E94-T99 VanDerWaalsContact O-N 3.17Å; K97-T99 PolarHBondContact O-N 2.97Å; K97-T99 VanDerWaalsContact O-N 3.11Å; K97-T99 PolarHBondContact O-OG1 3.3Å; T99-Y101 HydrophobicContact CG2-CD1 4.07Å; T99-Y101 HydrophobicContact CG2-CD2 4.42Å; T99-Y101 HydrophobicContact CG2-CE1 3.46Å; T99-Y101 VanDerWaalsContact CG2-CE1 3.46Å; T99-Y101 HydrophobicContact CG2-CE2 3.86Å; T99-Y101 WeakPolarHBondContact CG2-OH 3.21Å
100	L	98.8	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.6	169.4	-172.8	72.7	0	0	0	109.7	S40 C41 F48 M53 W55 I70 I91 R93 C117	S40-L100 CarbonylContact C-O 3.54Å; S40-L100 VanDerWaalsContact CA-O 3.3Å; S40-L100 WeakPolarHBondContact CA-O 3.28Å; C41-L100 HydrophobicContact CB-CB 4.2Å; C41-L100 PolarHBondContact N-O 3Å; C41-L100 PolarHBondContact O-N 3.36Å; F48-L100 HydrophobicContact CE2-CB 4.46Å; F48-L100 HydrophobicContact CZ-CB 4.36Å; M53-L100 HydrophobicContact CB-CD1 3.74Å; M53-L100 HydrophobicContact CB-CD2 3.95Å; M53-L100 HydrophobicContact CB-CG 4.35Å; W55-L100 HydrophobicContact CD2-CD2 4.3Å; W55-L100 HydrophobicContact CG-CD2 4.22Å; W55-L100 HydrophobicContact CZ2-CD2 4.38Å; W55-L100 VanDerWaalsContact NE1-CD2 3.27Å; I70-L100 HydrophobicContact CG2-CD1 3.43Å; I70-L100 VanDerWaalsContact CG2-CD1 3.43Å; I91-L100 HydrophobicContact CD1-CD1 4.01Å; I91-L100 HydrophobicContact CD1-CD2 4.42Å; I91-L100 HydrophobicContact CG1-CD1 3.93Å; I91-L100 HydrophobicContact CG1-CG 4.47Å; R93-L100 HydrophobicContact CB-CD1 4.14Å; L100-C117 HydrophobicContact CD2-CB 4.01Å
101	Y	98.7	Very high	97.1	Very high	30 Å²	30	52.2 Å²	52.2	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.1	178	-59.4	-74.2	0	0	0	111.6	R38 L39 I91 S92 E94 T99	R38-Y101 VanDerWaalsContact NH2-CE1 3.27Å; R38-Y101 VanDerWaalsContact NH2-CG 3.3Å; L39-Y101 VanDerWaalsContact O-CA 3.29Å; L39-Y101 WeakPolarHBondContact O-CA 3.21Å; I91-Y101 WeakPolarHBondContact CA-O 3.48Å; S92-Y101 PolarHBondContact N-O 3.48Å; S92-Y101 PolarHBondContact O-N 2.92Å; E94-Y101 HydrophobicContact CB-CE2 4Å; T99-Y101 HydrophobicContact CG2-CD1 4.07Å; T99-Y101 HydrophobicContact CG2-CD2 4.42Å; T99-Y101 HydrophobicContact CG2-CE1 3.46Å; T99-Y101 VanDerWaalsContact CG2-CE1 3.46Å; T99-Y101 HydrophobicContact CG2-CE2 3.86Å; T99-Y101 WeakPolarHBondContact CG2-OH 3.21Å
102	L	98.7	Very high	97	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	106.5	167.1	-169	64.4	0	0	0	108.6	R38 L39 W55 V67 L89 I91 M104 Y115	R38-L102 WeakPolarHBondContact CA-O 3.42Å; L39-L102 HydrophobicContact CB-CB 4.13Å; L39-L102 HydrophobicContact CD1-CD2 4.1Å; L39-L102 PolarHBondContact N-O 3.36Å; L39-L102 PolarHBondContact O-N 2.94Å; W55-L102 HydrophobicContact CB-CD2 4.26Å; W55-L102 HydrophobicContact CD2-CB 4.16Å; W55-L102 HydrophobicContact CD2-CD2 4.26Å; W55-L102 HydrophobicContact CG-CB 4.16Å; W55-L102 HydrophobicContact CG-CD1 4.33Å; W55-L102 HydrophobicContact CG-CD2 4.02Å; W55-L102 HydrophobicContact CG-CG 4.41Å; W55-L102 HydrophobicContact CZ2-CB 4.34Å; V67-L102 HydrophobicContact CG1-CD1 4.33Å; V67-L102 HydrophobicContact CG1-CD2 4.24Å; L89-L102 HydrophobicContact CB-CD1 4.24Å; L89-L102 HydrophobicContact CD2-CD1 4.42Å; L89-L102 HydrophobicContact CD2-CD2 4.15Å; L89-L102 HydrophobicContact CD2-CG 4.44Å; I91-L102 HydrophobicContact CB-CD1 4.47Å; L102-M104 HydrophobicContact CD2-CG 4.08Å; L102-M104 HydrophobicContact CD2-SD 3.8Å; L102-M104 HydrophobicContact CG-CG 3.85Å; L102-M104 HydrophobicContact CG-SD 4.24Å; L102-Y115 HydrophobicContact CD2-CD1 3.79Å; L102-Y115 HydrophobicContact CD2-CE1 3.87Å
103	Q	98.2	Very high	96.9	Very high	78 Å²	78	56.7 Å²	56.7	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121	171.9	-176.1	62.7	42.4	0	0	108.5	L89 T90	L89-Q103 CarbonylContact C-O 3.57Å; L89-Q103 WeakPolarHBondContact CA-O 3.3Å; T90-Q103 PolarHBondContact N-O 2Å; T90-Q103 PolarHBondContact O-N 2.92Å
104	M	97.6	Very high	96.8	Very high	6 Å²	6	59 Å²	59	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.6	-178.9	-51.5	-174.7	-74.4	0	0	109.1	S36 L37 L39 L89 L102 L107 Y115	S36-M104 VanDerWaalsContact CA-O 3.23Å; S36-M104 WeakPolarHBondContact CA-O 3.43Å; S36-M104 WeakPolarHBondContact CB-O 3.39Å; L37-M104 HydrophobicContact CB-CE 4Å; L37-M104 HydrophobicContact CD2-CE 3.27Å; L37-M104 HydrophobicContact CG-CE 4.27Å; L37-M104 PolarHBondContact N-O 2.85Å; L37-M104 WeakPolarHBondContact O-CB 3.36Å; L37-M104 PolarHBondContact O-N 2.86Å; L39-M104 HydrophobicContact CD1-CE 3.85Å; L39-M104 HydrophobicContact CD1-SD 4.35Å; L39-M104 HydrophobicContact CD2-CE 4.17Å; L39-M104 HydrophobicContact CG-CE 3.64Å; L89-M104 HydrophobicContact CD2-CG 3.98Å; L89-M104 HydrophobicContact CD2-SD 4.08Å; L89-M104 HydrophobicContact CG-CB 4.2Å; L89-M104 HydrophobicContact CG-CG 3.86Å; L102-M104 HydrophobicContact CD2-CG 4.08Å; L102-M104 HydrophobicContact CD2-SD 3.8Å; L102-M104 HydrophobicContact CG-CG 3.85Å; L102-M104 HydrophobicContact CG-SD 4.24Å; M104-L107 HydrophobicContact CB-CD1 4.22Å; M104-L107 HydrophobicContact CB-CD2 3.82Å; M104-L107 HydrophobicContact CB-CG 4.07Å; M104-L107 HydrophobicContact SD-CD2 4.15Å; M104-Y115 HydrophobicContact SD-CE1 4.24Å
105	S	95.1	Very high	96.8	Very high	49 Å²	49	57.5 Å²	57.5	34%	0.343	31%	0.309	S	S	.	.			trans	-129.2	152.1	179.4	65.7	0	0	0	0	110.3	R88 L107	R88-S105 PolarHBondContact O-N 3.17Å; R88-S105 VanDerWaalsContact O-N 3.14Å; R88-S105 PolarHBondContact O-OG 3.34Å; S105-L107 VanDerWaalsContact C-N 3.29Å; S105-L107 PolarHBondContact O-N 2.88Å
106	N	95.1	Very high	96.8	Very high	95 Å²	95	60.5 Å²	60.5	51%	0.508	32%	0.318	S	S	.	.	S	Bend	trans	49.2	52.7	-177.8	-169.9	27	0	0	0	111.7	G35	G35-N106 PolarHBondContact O-N 3.47Å
107	L	95.9	Very high	96.8	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.084	29%	0.286	C	S	.	.			trans	-61.1	135.5	-175.6	-83.2	163.5	0	0	0	111.2	V31 P33 G34 G35 L37 M104 S105 D111	V31-L107 HydrophobicContact CG2-CD1 3.43Å; V31-L107 VanDerWaalsContact CG2-CD1 3.43Å; P33-L107 CarbonylContact C-O 3.49Å; P33-L107 WeakPolarHBondContact CA-O 3.34Å; G34-L107 PolarHBondContact N-O 3.25Å; G35-L107 PolarHBondContact O-N 3.44Å; L37-L107 HydrophobicContact CB-CD1 3.91Å; M104-L107 HydrophobicContact CB-CD1 4.22Å; M104-L107 HydrophobicContact CB-CD2 3.82Å; M104-L107 HydrophobicContact CB-CG 4.07Å; M104-L107 HydrophobicContact SD-CD2 4.15Å; S105-L107 VanDerWaalsContact C-N 3.29Å; S105-L107 PolarHBondContact O-N 2.88Å; L107-D111 HydrophobicContact CD2-CB 3.56Å
108	K	95.2	Very high	96.8	Very high	94 Å²	94	51.8 Å²	51.8	41%	0.409	27%	0.274	S	S	.	.			trans	-104.8	163.1	177.3	-62.8	179.8	176.8	-174.9	0	110.1	E110 D111	K108-E110 HydrophobicContact CB-CB 4.41Å; K108-E110 PolarHBondContact O-N 3.45Å; K108-D111 PolarHBondContact N-OD2 3.39Å; K108-D111 WeakPolarHBondContact O-CB 3.34Å; K108-D111 PolarHBondContact O-N 3.46Å
109	T	93.7	Very high	96.7	Very high	111 Å²	111	55.4 Å²	55.4	68%	0.681	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-55.4	-33.2	170.6	-49.6	0	0	0	0	111.9	D111 L112	T109-D111 PolarHBondContact O-N 3.46Å; T109-L112 VanDerWaalsContact O-CB 3.27Å; T109-L112 WeakPolarHBondContact O-CB 3.1Å; T109-L112 PolarHBondContact O-N 3.31Å
110	E	93.3	Very high	96.6	Very high	131 Å²	131	57.4 Å²	57.4	61%	0.612	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.6	175.4	-64.7	159.3	-148.3	0	0	114	K108 L112	K108-E110 HydrophobicContact CB-CB 4.41Å; K108-E110 PolarHBondContact O-N 3.45Å; E110-L112 VanDerWaalsContact C-N 3.32Å
111	D	95.5	Very high	96.4	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-88.1	-2.8	178.1	-55.9	-48.3	0	0	0	112.8	R57 R88 L107 K108 T109 A113 Y115	R57-D111 IonicContact NH1-OD1 2.79Å; R57-D111 PolarHBondContact NH1-OD1 3.15Å; R88-D111 IonicContact CZ-OD1 3.69Å; R88-D111 IonicContact CZ-OD2 3.51Å; R88-D111 IonicContact NH1-OD1 3.51Å; R88-D111 IonicContact NH1-OD2 2.67Å; R88-D111 PolarHBondContact NH1-OD2 3.11Å; R88-D111 IonicContact NH2-OD1 2.92Å; R88-D111 PolarHBondContact NH2-OD1 2.8Å; R88-D111 IonicContact NH2-OD2 3.49Å; R88-D111 PolarHBondContact NH2-OD2 2.91Å; L107-D111 HydrophobicContact CD2-CB 3.56Å; K108-D111 PolarHBondContact N-OD2 3.39Å; K108-D111 WeakPolarHBondContact O-CB 3.34Å; K108-D111 PolarHBondContact O-N 3.46Å; T109-D111 PolarHBondContact O-N 3.46Å; D111-A113 PolarHBondContact O-N 3.46Å; D111-A113 VanDerWaalsContact O-N 3.11Å; D111-Y115 WeakPolarHBondContact O-CE2 3.46Å; D111-Y115 PolarHBondContact O-OH 3.33Å
112	L	95.1	Very high	96.3	Very high	122 Å²	122	62.1 Å²	62.1	64%	0.639	32%	0.319	S	S	*	.			trans	-69	105	173.6	-177.1	66.9	0	0	0	110	T109 E110	T109-L112 VanDerWaalsContact O-CB 3.27Å; T109-L112 WeakPolarHBondContact O-CB 3.1Å; T109-L112 PolarHBondContact O-N 3.31Å; E110-L112 VanDerWaalsContact C-N 3.32Å
113	A	96.6	Very high	96.2	Very high	26 Å²	26	65.8 Å²	65.8	22%	0.215	34%	0.337	C	S	.	.	S	Bend	trans	-159.1	166.3	-177.4	0	0	0	0	0	110.2	R57 Q58 A59 D111 Y115	R57-A113 HydrophobicContact CB-CB 3.89Å; R57-A113 HydrophobicContact CG-CB 4.26Å; Q58-A113 WeakPolarHBondContact O-CA 3.41Å; Q58-A113 WeakPolarHBondContact O-CB 3.49Å; A59-A113 HydrophobicContact CB-CB 4.31Å; D111-A113 PolarHBondContact O-N 3.46Å; D111-A113 VanDerWaalsContact O-N 3.11Å; A113-Y115 HydrophobicContact CB-CD2 4.35Å; A113-Y115 HydrophobicContact CB-CE2 3.87Å; A113-Y115 WeakPolarHBondContact O-CD2 3.38Å
114	V	97.1	Very high	96	Very high	78 Å²	78	65 Å²	65	47%	0.473	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.2	160.8	-172	0	0	0	0	107.9	R57 Q58 Y116	R57-V114 CarbonylContact C-O 3.57Å; R57-V114 WeakPolarHBondContact CA-O 3.1Å; Q58-V114 PolarHBondContact N-O 2.8Å; Q58-V114 PolarHBondContact O-N 3.32Å; V114-Y116 HydrophobicContact CB-CE2 4.02Å; V114-Y116 HydrophobicContact CG1-CD2 4.46Å; V114-Y116 HydrophobicContact CG1-CE1 3.85Å; V114-Y116 HydrophobicContact CG1-CE2 3.72Å; V114-Y116 WeakPolarHBondContact CG1-OH 3.19Å
115	Y	98	Very high	95.9	Very high	27 Å²	27	68.9 Å²	68.9	11%	0.106	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	179.9	-72.7	-103.7	0	0	0	109.4	L39 V56 R57 V67 L102 M104 D111 A113	L39-Y115 VanDerWaalsContact CD1-CB 3.48Å; L39-Y115 HydrophobicContact CD1-CD1 3.93Å; L39-Y115 HydrophobicContact CD1-CD2 4.06Å; L39-Y115 HydrophobicContact CD1-CG 3.56Å; V56-Y115 WeakPolarHBondContact O-CA 3.03Å; R57-Y115 HydrophobicContact CB-CD1 3.79Å; R57-Y115 HydrophobicContact CB-CD2 4.46Å; R57-Y115 HydrophobicContact CB-CE1 3.71Å; R57-Y115 HydrophobicContact CB-CE2 4.39Å; R57-Y115 HydrophobicContact CB-CG 4.16Å; R57-Y115 HydrophobicContact CG-CE1 4.41Å; V67-Y115 HydrophobicContact CG2-CD1 4.28Å; V67-Y115 HydrophobicContact CG2-CE1 3.93Å; L102-Y115 HydrophobicContact CD2-CD1 3.79Å; L102-Y115 HydrophobicContact CD2-CE1 3.87Å; M104-Y115 HydrophobicContact SD-CE1 4.24Å; D111-Y115 WeakPolarHBondContact O-CE2 3.46Å; D111-Y115 PolarHBondContact O-OH 3.33Å; A113-Y115 HydrophobicContact CB-CD2 4.35Å; A113-Y115 HydrophobicContact CB-CE2 3.87Å; A113-Y115 WeakPolarHBondContact O-CD2 3.38Å
116	Y	98.2	Very high	96	Very high	97 Å²	97	70.4 Å²	70.4	38%	0.38	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.7	178.1	-56.1	-78.2	0	0	0	108.7	E25 W55 V56 Q58 V114	E25-Y116 WeakPolarHBondContact OE1-CA 3.38Å; W55-Y116 WeakPolarHBondContact CA-O 3.31Å; V56-Y116 PolarHBondContact N-O 2.93Å; V56-Y116 PolarHBondContact O-N 2.92Å; V56-Y116 VanDerWaalsContact O-O 3.13Å; Q58-Y116 HydrophobicContact CB-CE2 4.3Å; V114-Y116 HydrophobicContact CB-CE2 4.02Å; V114-Y116 HydrophobicContact CG1-CD2 4.46Å; V114-Y116 HydrophobicContact CG1-CE1 3.85Å; V114-Y116 HydrophobicContact CG1-CE2 3.72Å; V114-Y116 WeakPolarHBondContact CG1-OH 3.19Å
117	C	98.3	Very high	96.1	Very high	8 Å²	8	68.5 Å²	68.5	5%	0.054	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.8	164.4	55.9	0	0	0	0	109.9	L23 E25 C41 S54 W55 L100	L23-C117 WeakPolarHBondContact CD1-O 3.49Å; E25-C117 PolarHBondContact OE1-N 2.89Å; E25-C117 PolarHBondContact OE1-SG 3.18Å; C41-C117 HydrophobicContact CB-CB 3.4Å; C41-C117 WeakPolarHBondContact CB-SG 3.28Å; C41-C117 WeakPolarHBondContact SG-CB 3.2Å; C41-C117 CovalentContact SG-SG 2Å; C41-C117 PolarHBondContact SG-SG 3.07Å; S54-C117 CarbonylContact O-C 3.48Å; S54-C117 VanDerWaalsContact O-CA 3.28Å; S54-C117 WeakPolarHBondContact O-CA 3.44Å; W55-C117 HydrophobicContact CD2-CB 4.45Å; W55-C117 HydrophobicContact CE3-CB 4.24Å; W55-C117 HydrophobicContact CH2-CB 4.28Å; W55-C117 HydrophobicContact CZ2-CB 4.47Å; W55-C117 HydrophobicContact CZ3-CB 4.16Å; L100-C117 HydrophobicContact CD2-CB 4.01Å
118	A	98	Very high	96.1	Very high	33 Å²	33	72.8 Å²	72.8	27%	0.273	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.5	178.4	0	0	0	0	0	110.7	M53 S54 V56	M53-A118 CarbonylContact C-O 3.57Å; M53-A118 WeakPolarHBondContact CA-O 3.43Å; S54-A118 PolarHBondContact N-O 2.93Å; S54-A118 PolarHBondContact O-N 3.33Å; S54-A118 PolarHBondContact OG-O 3.36Å; V56-A118 HydrophobicContact CG2-CB 4.42Å
119	R	94	Very high	96.2	Very high	140 Å²	140	70.9 Å²	70.9	53%	0.528	36%	0.363	S	S	.	.			trans	-93.3	0	173.1	-174.6	-176.2	74.8	170.3	-12.4	110.5	F46 H51 M53	F46-R119 VanDerWaalsContact CD2-CD 3.46Å; F46-R119 HydrophobicContact CE2-CG 3.98Å; F46-R119 VanDerWaalsContact CG-NH1 3.3Å; F46-R119 HydrophobicContact CZ-CB 4.39Å; F46-R119 HydrophobicContact CZ-CG 4.25Å; H51-R119 HydrophobicContact CB-CG 3.58Å; H51-R119 VanDerWaalsContact CG-CD 3.47Å; H51-R119 WeakPolarHBondContact ND1-CD 3.36Å; H51-R119 PolarHBondContact NE2-NH1 2.77Å; M53-R119 HydrophobicContact CE-CB 4.21Å; M53-R119 HydrophobicContact SD-CB 3.88Å; M53-R119 HydrophobicContact SD-CG 3.93Å

Retrieved 119 of 119 residues in 94.9 ms (Link to these results)

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