A0A075B7F0_HUMAN Loading...

Immunoglobulin heavy variable 3/OR16-10 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7F0, Species HUMAN (Homo sapiens, Human), Gene IGHV3OR16-10, Length 116 aa.

						>A0A075B7F0_HUMAN|A0A075B7F0|IGHV3OR16-10
MEFVLSWVFLVAILKGVQCEVQLVQSGGGLVHPGGSLRLSCAGSGFTFSSYAMHWVRQAPGKGLEWVSAIGTGGGTYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDMAVYYCAR
					

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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	59.9	Low	63.9	Low	191 Å²	191	129.4 Å²	129.4	94%	0.941	65%	0.648	S	S	*	*				0	-36.5	0	-154	160.1	64.5	0	0	111.7	F3	M1-F3 PolarHBondContact O-N 3.3Å
2	E	61.8	Low	63.9	Low	139 Å²	139	123.9 Å²	123.9	65%	0.65	64%	0.638	S	S	*	*	H	α-helix	trans	-55.4	-40.2	175	-60.9	-57.7	134.1	0	0	115.6	V4 L5 S6	E2-V4 PolarHBondContact O-N 2.79Å; E2-L5 PolarHBondContact O-N 2.93Å; E2-S6 PolarHBondContact O-N 3.03Å; E2-S6 VanDerWaalsContact O-N 3.08Å
3	F	60.9	Low	63.9	Low	183 Å²	183	124.8 Å²	124.8	80%	0.803	64%	0.643	S	S	*	*	H	α-helix	trans	-67.2	-32.3	-175.1	-62.9	-74.6	0	0	0	114.2	M1 W7	M1-F3 PolarHBondContact O-N 3.3Å; F3-W7 PolarHBondContact O-N 2.95Å
4	V	63.8	Low	63.8	Low	102 Å²	102	126.4 Å²	126.4	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-70.9	-42.1	177.2	-179.2	0	0	0	0	110	E2 S6 W7 V8	E2-V4 PolarHBondContact O-N 2.79Å; V4-S6 VanDerWaalsContact C-N 3.35Å; V4-S6 PolarHBondContact O-N 3.28Å; V4-W7 PolarHBondContact O-N 3.03Å; V4-V8 WeakPolarHBondContact O-CG2 3.43Å; V4-V8 PolarHBondContact O-N 3.06Å
5	L	63.6	Low	63.5	Low	84 Å²	84	130.4 Å²	130.4	44%	0.44	66%	0.662	S	S	.	*	H	α-helix	trans	-59.7	-45.8	176.4	-74.4	159.9	0	0	0	111	E2 W7 V8 F9	E2-L5 PolarHBondContact O-N 2.93Å; L5-W7 VanDerWaalsContact C-N 3.29Å; L5-W7 PolarHBondContact O-N 3.06Å; L5-V8 PolarHBondContact O-N 2.88Å; L5-V8 VanDerWaalsContact O-N 3.11Å; L5-F9 HydrophobicContact CB-CE2 4.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.13Å; L5-F9 PolarHBondContact O-N 3.23Å
6	S	67.1	Low	63.4	Low	70 Å²	70	125.8 Å²	125.8	49%	0.49	66%	0.657	S	S	.	*	H	α-helix	trans	-57.2	-38.7	178.1	-166.6	0	0	0	0	113.2	E2 V4 F9 L10	E2-S6 PolarHBondContact O-N 3.03Å; E2-S6 VanDerWaalsContact O-N 3.08Å; V4-S6 VanDerWaalsContact C-N 3.35Å; V4-S6 PolarHBondContact O-N 3.28Å; S6-F9 PolarHBondContact O-N 3.24Å; S6-L10 PolarHBondContact O-N 3.32Å; S6-L10 VanDerWaalsContact O-N 3.15Å
7	W	64.9	Low	63.6	Low	205 Å²	205	125.9 Å²	125.9	78%	0.777	66%	0.664	S	S	*	*	H	α-helix	trans	-68.8	-38.8	175.7	-112.5	2	0	0	0	113.3	F3 V4 L5 F9 L10 V11	F3-W7 PolarHBondContact O-N 2.95Å; V4-W7 PolarHBondContact O-N 3.03Å; L5-W7 VanDerWaalsContact C-N 3.29Å; L5-W7 PolarHBondContact O-N 3.06Å; W7-F9 VanDerWaalsContact C-N 3.34Å; W7-F9 PolarHBondContact O-N 3.2Å; W7-L10 PolarHBondContact O-N 3.38Å; W7-V11 PolarHBondContact O-N 3.08Å
8	V	66.6	Low	63.3	Low	99 Å²	99	128.3 Å²	128.3	60%	0.6	67%	0.671	S	S	*	*	H	α-helix	trans	-65	-38.5	176	-177.5	0	0	0	0	110.9	V4 L5 L10 V11 A12	V4-V8 WeakPolarHBondContact O-CG2 3.43Å; V4-V8 PolarHBondContact O-N 3.06Å; L5-V8 PolarHBondContact O-N 2.88Å; L5-V8 VanDerWaalsContact O-N 3.11Å; V8-L10 PolarHBondContact O-N 3.29Å; V8-V11 PolarHBondContact O-N 3.24Å; V8-A12 PolarHBondContact O-N 3.03Å
9	F	64.9	Low	63.6	Low	136 Å²	136	127.9 Å²	127.9	60%	0.596	68%	0.679	S	S	*	*	H	α-helix	trans	-63.3	-39	173.8	-74.4	-70.5	0	0	0	112.6	L5 S6 W7 V11 A12 I13	L5-F9 HydrophobicContact CB-CE2 4.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.13Å; L5-F9 PolarHBondContact O-N 3.23Å; S6-F9 PolarHBondContact O-N 3.24Å; W7-F9 VanDerWaalsContact C-N 3.34Å; W7-F9 PolarHBondContact O-N 3.2Å; F9-V11 PolarHBondContact O-N 3.27Å; F9-A12 WeakPolarHBondContact O-CB 3.45Å; F9-A12 PolarHBondContact O-N 3.47Å; F9-A12 VanDerWaalsContact O-N 3.15Å; F9-I13 WeakPolarHBondContact O-CG1 3.32Å; F9-I13 PolarHBondContact O-N 3.39Å
10	L	63.3	Low	64.8	Low	101 Å²	101	128.4 Å²	128.4	53%	0.529	68%	0.677	S	S	.	*	H	α-helix	trans	-64.1	-38	179.2	-112	146.7	0	0	0	113.3	S6 W7 V8 A12	S6-L10 PolarHBondContact O-N 3.32Å; S6-L10 VanDerWaalsContact O-N 3.15Å; W7-L10 PolarHBondContact O-N 3.38Å; V8-L10 PolarHBondContact O-N 3.29Å; L10-A12 VanDerWaalsContact C-N 3.27Å; L10-A12 PolarHBondContact O-N 3.48Å
11	V	65.8	Low	66	Low	113 Å²	113	125.7 Å²	125.7	69%	0.685	67%	0.665	S	S	*	*	H	α-helix	trans	-67.4	-30.1	175.1	180	0	0	0	0	111.4	W7 V8 F9	W7-V11 PolarHBondContact O-N 3.08Å; V8-V11 PolarHBondContact O-N 3.24Å; F9-V11 PolarHBondContact O-N 3.27Å
12	A	64.5	Low	67.7	Low	64 Å²	64	121.9 Å²	121.9	53%	0.529	65%	0.645	S	S	.	*	H	α-helix	trans	-74.8	-30.1	-177.9	0	0	0	0	0	114.2	V8 F9 L10 L14	V8-A12 PolarHBondContact O-N 3.03Å; F9-A12 WeakPolarHBondContact O-CB 3.45Å; F9-A12 PolarHBondContact O-N 3.47Å; F9-A12 VanDerWaalsContact O-N 3.15Å; L10-A12 VanDerWaalsContact C-N 3.27Å; L10-A12 PolarHBondContact O-N 3.48Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.33Å
13	I	63.8	Low	69.4	Low	136 Å²	136	117.3 Å²	117.3	70%	0.697	63%	0.625	S	S	*	*	H	α-helix	trans	-76	-20.6	-176.4	-57	160.8	0	0	0	112.1	F9 K15	F9-I13 WeakPolarHBondContact O-CG1 3.32Å; F9-I13 PolarHBondContact O-N 3.39Å; I13-K15 PolarHBondContact O-N 2.97Å
14	L	61.7	Low	71.1	Confident	147 Å²	147	111.6 Å²	111.6	77%	0.77	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	10.3	-179.9	-73.5	168.3	0	0	0	114.6	A12 G16	A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.33Å; L14-G16 PolarHBondContact O-N 3.08Å
15	K	59.4	Low	72.8	Confident	186 Å²	186	110.3 Å²	110.3	81%	0.809	59%	0.592	S	S	*	*			trans	-75.9	65	161.4	-59.5	-136.4	-178.4	-172.9	0	108.9	I13 V17	I13-K15 PolarHBondContact O-N 2.97Å; K15-V17 PolarHBondContact O-N 2.83Å
16	G	61.9	Low	74.4	Confident	56 Å²	56	109.5 Å²	109.5	58%	0.577	59%	0.594	S	S	*	*			trans	-50.8	132.5	173.5	0	0	0	0	0	109.6	L14 Q18	L14-G16 PolarHBondContact O-N 3.08Å; G16-Q18 PolarHBondContact O-N 2.81Å
17	V	66.8	Low	75.7	Confident	129 Å²	129	107.9 Å²	107.9	78%	0.782	59%	0.588	S	S	*	*			trans	-60.5	106.2	175.5	176.3	0	0	0	0	107.5	K15 C19	K15-V17 PolarHBondContact O-N 2.83Å; V17-C19 VanDerWaalsContact C-N 3.34Å; V17-C19 PolarHBondContact O-N 2.67Å
18	Q	58.6	Low	77	Confident	169 Å²	169	101.1 Å²	101.1	79%	0.79	58%	0.582	S	S	*	*			trans	-75.7	91.3	170.8	-67.8	-163.8	-51.3	0	0	108.1	G16 E20	G16-Q18 PolarHBondContact O-N 2.81Å; Q18-E20 PolarHBondContact O-N 3.24Å
19	C	68.8	Low	78.2	Confident	120 Å²	120	99.1 Å²	99.1	81%	0.811	58%	0.581	S	S	*	*			trans	-78.2	45.6	166.8	-85.4	0	0	0	0	111	V17	V17-C19 VanDerWaalsContact C-N 3.34Å; V17-C19 PolarHBondContact O-N 2.67Å
20	E	86.9	Confident	79.5	Confident	138 Å²	138	100.4 Å²	100.4	65%	0.645	59%	0.593	S	S	*	*			trans	-97	144.7	177.1	-166.3	170.4	-174.9	0	0	110.4	Q18 Q22	Q18-E20 PolarHBondContact O-N 3.24Å; E20-Q22 PolarHBondContact O-N 2.93Å
21	V	91.5	Very high	80.9	Confident	71 Å²	71	98.2 Å²	98.2	43%	0.43	58%	0.584	S	S	.	*			trans	-65.7	124.7	172.7	169.9	0	0	0	0	108.5	S44 G45 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; V21-G45 WeakPolarHBondContact CG2-O 3.27Å; V21-F46 HydrophobicContact CG1-CD1 3.76Å; V21-F46 HydrophobicContact CG1-CE1 4.15Å; V21-F46 HydrophobicContact CG2-CB 4.31Å; V21-F46 HydrophobicContact CG2-CD1 4.47Å
22	Q	94.9	Very high	82.2	Confident	111 Å²	111	99.3 Å²	99.3	52%	0.519	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	143.5	-179.2	-158.9	-179.2	12.9	0	0	111.4	E20 V24 G43 S44	E20-Q22 PolarHBondContact O-N 2.93Å; Q22-V24 HydrophobicContact CG-CG2 3.72Å; Q22-G43 WeakPolarHBondContact O-CA 3.44Å; Q22-S44 PolarHBondContact N-O 2.92Å; Q22-S44 PolarHBondContact O-N 2.87Å
23	L	97.7	Very high	83.5	Confident	44 Å²	44	101.1 Å²	101.1	23%	0.23	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.5	115.7	170.3	-69.5	179.8	0	0	0	108	A42 F46 M53 C114 R116	L23-A42 CarbonylContact C-O 3.54Å; L23-A42 WeakPolarHBondContact CA-O 3.23Å; L23-F46 HydrophobicContact CD2-CE1 3.94Å; L23-F46 HydrophobicContact CD2-CZ 3.85Å; L23-M53 HydrophobicContact CD1-CE 4.41Å; L23-M53 HydrophobicContact CD2-CE 3.85Å; L23-C114 WeakPolarHBondContact CD1-O 3.45Å; L23-R116 HydrophobicContact CD1-CB 4.44Å
24	V	97.5	Very high	85	Confident	63 Å²	63	97 Å²	97	38%	0.382	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	110.5	-173.7	-175.9	0	0	0	0	110.3	Q22 C41 A42	Q22-V24 HydrophobicContact CG-CG2 3.72Å; V24-C41 CarbonylContact O-C 3.55Å; V24-C41 VanDerWaalsContact O-CA 3.27Å; V24-C41 WeakPolarHBondContact O-CA 3.45Å; V24-A42 PolarHBondContact N-O 2.79Å; V24-A42 PolarHBondContact O-N 3.27Å
25	Q	98.2	Very high	86.7	Confident	74 Å²	74	90.5 Å²	90.5	35%	0.346	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	144.4	179.9	-53.8	80.5	8.4	0	0	112	S40 C41 W55 C114	Q25-S40 CarbonylContact C-O 3.5Å; Q25-S40 WeakPolarHBondContact CA-O 3.39Å; Q25-C41 HydrophobicContact CG-CB 4.45Å; Q25-W55 HydrophobicContact CG-CH2 4.26Å; Q25-W55 HydrophobicContact CG-CZ3 4.05Å; Q25-C114 PolarHBondContact NE2-SG 2.98Å
26	S	97.7	Very high	88.4	Confident	68 Å²	68	84.7 Å²	84.7	48%	0.476	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	172.8	179.7	58.2	0	0	0	0	111.5	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.49Å; S26-S40 PolarHBondContact N-O 3.44Å; S26-S40 PolarHBondContact O-N 3.13Å
27	G	94.8	Very high	90.1	Very high	36 Å²	36	83.7 Å²	83.7	37%	0.371	51%	0.511	S	S	.	.			trans	84	10.4	179.6	0	0	0	0	0	115	L37 R38 L39	G27-L37 VanDerWaalsContact O-CD1 3.31Å; G27-L37 WeakPolarHBondContact O-CD1 3.33Å; G27-L37 WeakPolarHBondContact O-CD2 3.33Å; G27-L37 WeakPolarHBondContact O-CG 3.31Å; G27-R38 WeakPolarHBondContact CA-O 2.98Å; G27-L39 WeakPolarHBondContact O-CD2 3.48Å
28	G	91	Very high	91.6	Very high	62 Å²	62	83.4 Å²	83.4	64%	0.639	50%	0.496	S	S	*	.			trans	-64.9	169.2	169.9	0	0	0	0	0	112.7
29	G	93	Very high	93.5	Very high	57 Å²	57	75.9 Å²	75.9	59%	0.588	46%	0.461	S	S	*	.			trans	164	165.9	177	0	0	0	0	0	112.2
30	L	92	Very high	94.9	Very high	164 Å²	164	71.5 Å²	71.5	86%	0.859	43%	0.432	S	S	*	.			trans	-85.6	125.7	170.4	-174.9	65.8	0	0	0	108.9
31	V	93.2	Very high	95.4	Very high	54 Å²	54	65 Å²	65	33%	0.327	40%	0.402	S	S	.	.			trans	-130.4	151.3	175.7	-63.8	0	0	0	0	109.5	L37 L104	V31-L37 HydrophobicContact CG1-CB 4.47Å; V31-L37 HydrophobicContact CG1-CD1 4.1Å; V31-L104 HydrophobicContact CG2-CD1 3.41Å; V31-L104 VanDerWaalsContact CG2-CD1 3.41Å
32	H	91.5	Very high	95.8	Very high	136 Å²	136	63.8 Å²	63.8	63%	0.63	40%	0.399	S	S	*	.			trans	-68.7	152.8	175.5	64	78.2	0	0	0	110.7	G35	H32-G35 PolarHBondContact O-N 2.81Å
33	P	92.8	Very high	95.9	Very high	102 Å²	102	58.8 Å²	58.8	66%	0.662	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	142.6	170.6	-26.2	35	0	0	0	111.9	G35	P33-G35 PolarHBondContact O-N 2.91Å
34	G	95.2	Very high	95.8	Very high	51 Å²	51	59.2 Å²	59.2	53%	0.526	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-10.8	-173.9	0	0	0	0	0	114.7	L104	G34-L104 PolarHBondContact N-O 3.07Å
35	G	96.3	Very high	95.6	Very high	9 Å²	9	58.8 Å²	58.8	9%	0.093	39%	0.392	C	S	.	.			trans	-70.1	-179.4	175.6	0	0	0	0	0	113.6	H32 P33 S103 L104	H32-G35 PolarHBondContact O-N 2.81Å; P33-G35 PolarHBondContact O-N 2.91Å; G35-S103 PolarHBondContact O-N 2.95Å; G35-L104 PolarHBondContact O-N 2.81Å
36	S	96.7	Very high	95.4	Very high	64 Å²	64	56.7 Å²	56.7	45%	0.448	38%	0.382	S	S	.	.			trans	-126.9	150.1	177	-64.5	0	0	0	0	111.1	M101 N102	S36-M101 CarbonylContact C-O 3.53Å; S36-M101 WeakPolarHBondContact CA-O 3.41Å; S36-M101 VanDerWaalsContact CB-O 3.32Å; S36-M101 WeakPolarHBondContact CB-O 3.44Å; S36-N102 PolarHBondContact OG-OD1 2.82Å
37	L	96.8	Very high	95.3	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.183	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.5	176.2	-171.7	70.6	0	0	0	109.1	G27 V31 L39 M101 L104	G27-L37 VanDerWaalsContact O-CD1 3.31Å; G27-L37 WeakPolarHBondContact O-CD1 3.33Å; G27-L37 WeakPolarHBondContact O-CD2 3.33Å; G27-L37 WeakPolarHBondContact O-CG 3.31Å; V31-L37 HydrophobicContact CG1-CB 4.47Å; V31-L37 HydrophobicContact CG1-CD1 4.1Å; L37-L39 HydrophobicContact CD2-CD2 3.92Å; L37-L39 HydrophobicContact CG-CD2 4.4Å; L37-M101 HydrophobicContact CB-CE 3.81Å; L37-M101 HydrophobicContact CD2-CE 3.72Å; L37-M101 HydrophobicContact CG-CE 4.07Å; L37-M101 PolarHBondContact N-O 3.49Å; L37-M101 WeakPolarHBondContact O-CB 3.38Å; L37-M101 PolarHBondContact O-N 3.2Å; L37-L104 HydrophobicContact CB-CD1 3.83Å
38	R	97.9	Very high	95.4	Very high	124 Å²	124	55.9 Å²	55.9	47%	0.468	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.6	174.7	-176.5	-179.4	175.1	-176.3	1.6	110.3	G27 Y98 L99	G27-R38 WeakPolarHBondContact CA-O 2.98Å; R38-Y98 VanDerWaalsContact NH2-CE1 3.31Å; R38-L99 WeakPolarHBondContact CA-O 3.29Å
39	L	98.5	Very high	95.7	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	149.3	169.5	-50.6	-177	0	0	0	110.2	S26 G27 L37 W55 Y98 L99 M101 Y112	S26-L39 WeakPolarHBondContact O-CA 3.49Å; G27-L39 WeakPolarHBondContact O-CD2 3.48Å; L37-L39 HydrophobicContact CD2-CD2 3.92Å; L37-L39 HydrophobicContact CG-CD2 4.4Å; L39-W55 HydrophobicContact CB-CH2 3.84Å; L39-W55 HydrophobicContact CB-CZ2 4.07Å; L39-W55 HydrophobicContact CB-CZ3 4.4Å; L39-W55 HydrophobicContact CD1-CH2 4.5Å; L39-W55 HydrophobicContact CD1-CZ3 4.24Å; L39-Y98 VanDerWaalsContact O-CA 3.31Å; L39-Y98 WeakPolarHBondContact O-CA 3.22Å; L39-L99 HydrophobicContact CB-CB 4.21Å; L39-L99 HydrophobicContact CD1-CD2 4.3Å; L39-L99 PolarHBondContact N-O 3.25Å; L39-L99 PolarHBondContact O-N 2.89Å; L39-M101 HydrophobicContact CD1-CE 3.84Å; L39-M101 HydrophobicContact CD1-SD 4.05Å; L39-M101 HydrophobicContact CD2-CE 3.84Å; L39-M101 HydrophobicContact CG-CE 3.55Å; L39-M101 HydrophobicContact CG-SD 4.25Å; L39-Y112 VanDerWaalsContact CD1-CB 3.45Å; L39-Y112 HydrophobicContact CD1-CD1 3.82Å; L39-Y112 HydrophobicContact CD1-CD2 3.94Å; L39-Y112 HydrophobicContact CD1-CG 3.46Å; L39-Y112 VanDerWaalsContact CD1-CG 3.46Å
40	S	98.6	Very high	95.9	Very high	28 Å²	28	56.5 Å²	56.5	20%	0.196	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.2	173.7	-53.8	0	0	0	0	109.7	Q25 S26 L97 Y98	Q25-S40 CarbonylContact C-O 3.5Å; Q25-S40 WeakPolarHBondContact CA-O 3.39Å; S26-S40 PolarHBondContact N-O 3.44Å; S26-S40 PolarHBondContact O-N 3.13Å; S40-L97 CarbonylContact C-O 3.49Å; S40-L97 WeakPolarHBondContact CA-O 3.49Å; S40-Y98 VanDerWaalsContact OG-CD1 3.27Å; S40-Y98 WeakPolarHBondContact OG-CD1 3.12Å; S40-Y98 WeakPolarHBondContact OG-CE1 3.36Å
41	C	98.6	Very high	96.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.007	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.8	173.3	161	0	0	0	0	109.6	V24 Q25 W55 S96 L97 C114	V24-C41 CarbonylContact O-C 3.55Å; V24-C41 VanDerWaalsContact O-CA 3.27Å; V24-C41 WeakPolarHBondContact O-CA 3.45Å; Q25-C41 HydrophobicContact CG-CB 4.45Å; C41-W55 HydrophobicContact CB-CH2 3.7Å; C41-W55 HydrophobicContact CB-CZ2 3.76Å; C41-S96 CarbonylContact O-C 3.56Å; C41-S96 WeakPolarHBondContact O-CA 3.3Å; C41-L97 HydrophobicContact CB-CB 4.14Å; C41-L97 PolarHBondContact N-O 2.88Å; C41-L97 PolarHBondContact O-N 2.86Å; C41-C114 HydrophobicContact CB-CB 3.45Å; C41-C114 VanDerWaalsContact CB-CB 3.45Å; C41-C114 WeakPolarHBondContact CB-SG 3.49Å; C41-C114 WeakPolarHBondContact SG-CB 3.46Å; C41-C114 CovalentContact SG-SG 2Å; C41-C114 PolarHBondContact SG-SG 3.49Å
42	A	98.1	Very high	96.4	Very high	46 Å²	46	52.2 Å²	52.2	38%	0.38	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.8	176.4	0	0	0	0	0	110.1	L23 V24	L23-A42 CarbonylContact C-O 3.54Å; L23-A42 WeakPolarHBondContact CA-O 3.23Å; V24-A42 PolarHBondContact N-O 2.79Å; V24-A42 PolarHBondContact O-N 3.27Å
43	G	97	Very high	96.7	Very high	6 Å²	6	45.7 Å²	45.7	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.4	176.8	0	0	0	0	0	112.9	Q22 N95	Q22-G43 WeakPolarHBondContact O-CA 3.44Å; G43-N95 PolarHBondContact N-O 2.89Å; G43-N95 WeakPolarHBondContact O-CB 3.38Å
44	S	95.6	Very high	97	Very high	52 Å²	52	43.4 Å²	43.4	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.9	175.2	55.1	0	0	0	0	111.6	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; Q22-S44 PolarHBondContact N-O 2.92Å; Q22-S44 PolarHBondContact O-N 2.87Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 VanDerWaalsContact O-CD1 3.28Å; S44-F46 WeakPolarHBondContact O-CD1 3.43Å
45	G	94.1	Very high	97.2	Very high	54 Å²	54	41 Å²	41	56%	0.557	25%	0.253	S	S	*	.	S	Bend	trans	80.4	7.8	-178.5	0	0	0	0	0	114.8	V21	V21-G45 WeakPolarHBondContact CG2-O 3.27Å
46	F	94.3	Very high	97.3	Very high	30 Å²	30	42 Å²	42	13%	0.132	26%	0.256	C	S	.	.	S	Bend	trans	-155.4	165.7	174.8	67.7	-77.2	0	0	0	112.1	V21 L23 S44 F48 Y51 M53 R116	V21-F46 HydrophobicContact CG1-CD1 3.76Å; V21-F46 HydrophobicContact CG1-CE1 4.15Å; V21-F46 HydrophobicContact CG2-CB 4.31Å; V21-F46 HydrophobicContact CG2-CD1 4.47Å; L23-F46 HydrophobicContact CD2-CE1 3.94Å; L23-F46 HydrophobicContact CD2-CZ 3.85Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 VanDerWaalsContact O-CD1 3.28Å; S44-F46 WeakPolarHBondContact O-CD1 3.43Å; F46-F48 HydrophobicContact CE2-CB 4.22Å; F46-F48 HydrophobicContact CE2-CD2 4.14Å; F46-F48 AromaticContact CZ-CD2 3.91Å; F46-F48 HydrophobicContact CZ-CD2 3.91Å; F46-F48 PolarHBondContact O-N 3.26Å; F46-Y51 AromaticContact CD2-CD2 3.73Å; F46-Y51 HydrophobicContact CD2-CD2 3.73Å; F46-Y51 HydrophobicContact CD2-CE2 4Å; F46-Y51 HydrophobicContact CE2-CD2 4.17Å; F46-M53 HydrophobicContact CE2-SD 4.44Å; F46-M53 HydrophobicContact CZ-SD 4.49Å; F46-R116 HydrophobicContact CD2-CG 4.43Å; F46-R116 HydrophobicContact CE2-CG 3.87Å; F46-R116 HydrophobicContact CZ-CG 4.37Å
47	T	95.8	Very high	97.3	Very high	87 Å²	87	39.6 Å²	39.6	53%	0.534	24%	0.238	S	C	.	.			trans	-74.9	90.2	173.8	-49.6	0	0	0	0	110.4	S49 S50 Y51	T47-S49 PolarHBondContact O-N 3.27Å; T47-S49 VanDerWaalsContact O-N 3.16Å; T47-S50 WeakPolarHBondContact CG2-OG 3.33Å; T47-S50 WeakPolarHBondContact O-CB 3.32Å; T47-S50 PolarHBondContact O-N 2.97Å; T47-Y51 WeakPolarHBondContact O-CD2 3.32Å
48	F	96.9	Very high	97.4	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-50.9	-41.1	-175.9	-176.3	-92.5	0	0	0	113.7	F46 S50 Y51 M53 R90 N92 N95 L97	F46-F48 HydrophobicContact CE2-CB 4.22Å; F46-F48 HydrophobicContact CE2-CD2 4.14Å; F46-F48 AromaticContact CZ-CD2 3.91Å; F46-F48 HydrophobicContact CZ-CD2 3.91Å; F46-F48 PolarHBondContact O-N 3.26Å; F48-S50 PolarHBondContact O-N 3.37Å; F48-Y51 PolarHBondContact O-N 3.15Å; F48-M53 HydrophobicContact CD2-SD 4.27Å; F48-M53 HydrophobicContact CE1-CG 4.47Å; F48-M53 HydrophobicContact CE2-CE 3.9Å; F48-M53 HydrophobicContact CE2-CG 3.93Å; F48-M53 HydrophobicContact CE2-SD 3.95Å; F48-M53 HydrophobicContact CZ-CG 3.85Å; F48-M53 HydrophobicContact CZ-SD 4.48Å; F48-R90 HydrophobicContact CE1-CB 4.29Å; F48-R90 PolarHBondContact O-NH2 2.81Å; F48-N92 WeakPolarHBondContact CD1-OD1 3.2Å; F48-N95 HydrophobicContact CB-CB 3.86Å; F48-N95 VanDerWaalsContact CB-OD1 3.28Å; F48-N95 WeakPolarHBondContact CB-OD1 3.27Å; F48-N95 HydrophobicContact CD2-CB 4.19Å; F48-N95 HydrophobicContact CG-CB 3.97Å; F48-L97 HydrophobicContact CZ-CB 4.14Å
49	S	97	Very high	97.3	Very high	54 Å²	54	36.2 Å²	36.2	38%	0.378	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.4	-21.6	179.7	55.3	0	0	0	0	114.5	T47 Y51 T72	T47-S49 PolarHBondContact O-N 3.27Å; T47-S49 VanDerWaalsContact O-N 3.16Å; S49-Y51 VanDerWaalsContact C-N 3.31Å; S49-Y51 PolarHBondContact O-N 3.47Å; S49-T72 WeakPolarHBondContact O-CG2 3.42Å
50	S	97.1	Very high	97.2	Very high	77 Å²	77	41.2 Å²	41.2	54%	0.538	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-83	-4.4	-177.2	-59.9	0	0	0	0	114	T47 F48	T47-S50 WeakPolarHBondContact CG2-OG 3.33Å; T47-S50 WeakPolarHBondContact O-CB 3.32Å; T47-S50 PolarHBondContact O-N 2.97Å; F48-S50 PolarHBondContact O-N 3.37Å
51	Y	97.4	Very high	97.1	Very high	93 Å²	93	44.3 Å²	44.3	37%	0.365	30%	0.299	S	S	.	.	S	Bend	trans	-123.9	146.9	-175.7	-64.6	-92.7	0	0	0	112.5	F46 T47 F48 S49 R90 R116	F46-Y51 AromaticContact CD2-CD2 3.73Å; F46-Y51 HydrophobicContact CD2-CD2 3.73Å; F46-Y51 HydrophobicContact CD2-CE2 4Å; F46-Y51 HydrophobicContact CE2-CD2 4.17Å; T47-Y51 WeakPolarHBondContact O-CD2 3.32Å; F48-Y51 PolarHBondContact O-N 3.15Å; S49-Y51 VanDerWaalsContact C-N 3.31Å; S49-Y51 PolarHBondContact O-N 3.47Å; Y51-R90 PolarHBondContact O-NH1 2.83Å; Y51-R90 PolarHBondContact O-NH2 2.8Å; Y51-R116 HydrophobicContact CD1-CG 3.63Å; Y51-R116 HydrophobicContact CD2-CG 4.11Å; Y51-R116 HydrophobicContact CE1-CG 4.47Å; Y51-R116 HydrophobicContact CG-CG 3.41Å; Y51-R116 VanDerWaalsContact CG-CG 3.41Å
52	A	98	Very high	96.9	Very high	35 Å²	35	50.4 Å²	50.4	29%	0.289	33%	0.325	S	S	.	.			trans	-67.8	147	162	0	0	0	0	0	108.5	I70	A52-I70 WeakPolarHBondContact CA-O 3.37Å
53	M	98.5	Very high	96.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.4	-178.2	-64.5	-57.8	-56.5	0	0	109.3	L23 F46 F48 A69 I70 L97 A115 R116	L23-M53 HydrophobicContact CD1-CE 4.41Å; L23-M53 HydrophobicContact CD2-CE 3.85Å; F46-M53 HydrophobicContact CE2-SD 4.44Å; F46-M53 HydrophobicContact CZ-SD 4.49Å; F48-M53 HydrophobicContact CD2-SD 4.27Å; F48-M53 HydrophobicContact CE1-CG 4.47Å; F48-M53 HydrophobicContact CE2-CE 3.9Å; F48-M53 HydrophobicContact CE2-CG 3.93Å; F48-M53 HydrophobicContact CE2-SD 3.95Å; F48-M53 HydrophobicContact CZ-CG 3.85Å; F48-M53 HydrophobicContact CZ-SD 4.48Å; M53-A69 CarbonylContact O-C 3.53Å; M53-A69 VanDerWaalsContact O-CA 3.29Å; M53-A69 WeakPolarHBondContact O-CA 3.41Å; M53-I70 HydrophobicContact CB-CG2 4.18Å; M53-I70 PolarHBondContact N-O 3.37Å; M53-I70 PolarHBondContact O-N 3.35Å; M53-L97 HydrophobicContact CB-CD1 3.56Å; M53-L97 HydrophobicContact CB-CD2 3.85Å; M53-L97 HydrophobicContact CB-CG 4.24Å; M53-L97 HydrophobicContact CE-CD2 4.49Å; M53-L97 HydrophobicContact CG-CD1 4.35Å; M53-A115 WeakPolarHBondContact CE-O 3.38Å; M53-R116 HydrophobicContact CE-CB 4.23Å; M53-R116 HydrophobicContact SD-CB 3.98Å; M53-R116 HydrophobicContact SD-CG 3.96Å
54	H	98.7	Very high	96.9	Very high	54 Å²	54	56 Å²	56	25%	0.25	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.2	-171.3	-65.6	-86.1	0	0	0	110.8	W66 S68 A69 C114 A115	H54-W66 AromaticContact ND1-NE1 3.25Å; H54-W66 PolarHBondContact ND1-NE1 3.01Å; H54-S68 WeakPolarHBondContact CA-O 3.02Å; H54-A69 VanDerWaalsContact CE1-CB 3.43Å; H54-A69 WeakPolarHBondContact CE1-CB 3.39Å; H54-A69 WeakPolarHBondContact ND1-CB 3.31Å; H54-C114 CarbonylContact O-C 3.59Å; H54-C114 WeakPolarHBondContact O-CA 3.37Å; H54-A115 HydrophobicContact CB-CB 4.27Å; H54-A115 PolarHBondContact N-O 3.03Å; H54-A115 PolarHBondContact O-N 3.16Å
55	W	98.7	Very high	97	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.7	159.8	-76.8	102.8	0	0	0	109.4	Q25 L39 C41 V67 S68 L97 L99 C114	Q25-W55 HydrophobicContact CG-CH2 4.26Å; Q25-W55 HydrophobicContact CG-CZ3 4.05Å; L39-W55 HydrophobicContact CB-CH2 3.84Å; L39-W55 HydrophobicContact CB-CZ2 4.07Å; L39-W55 HydrophobicContact CB-CZ3 4.4Å; L39-W55 HydrophobicContact CD1-CH2 4.5Å; L39-W55 HydrophobicContact CD1-CZ3 4.24Å; C41-W55 HydrophobicContact CB-CH2 3.7Å; C41-W55 HydrophobicContact CB-CZ2 3.76Å; W55-V67 HydrophobicContact CB-CB 4.15Å; W55-V67 WeakPolarHBondContact O-CB 3.39Å; W55-V67 PolarHBondContact O-N 3.5Å; W55-S68 PolarHBondContact N-O 3.3Å; W55-S68 PolarHBondContact O-N 3.11Å; W55-L97 HydrophobicContact CD2-CD2 4.36Å; W55-L97 HydrophobicContact CG-CD2 4.36Å; W55-L97 HydrophobicContact CZ2-CD2 4.28Å; W55-L97 VanDerWaalsContact NE1-CD2 3.28Å; W55-L99 HydrophobicContact CB-CD2 4.27Å; W55-L99 HydrophobicContact CD2-CB 4.25Å; W55-L99 HydrophobicContact CD2-CD2 4.29Å; W55-L99 HydrophobicContact CG-CB 4.26Å; W55-L99 HydrophobicContact CG-CD2 4.02Å; W55-L99 HydrophobicContact CZ2-CB 4.33Å; W55-C114 HydrophobicContact CD2-CB 4.36Å; W55-C114 HydrophobicContact CE3-CB 4.17Å; W55-C114 HydrophobicContact CH2-CB 4.19Å; W55-C114 HydrophobicContact CZ2-CB 4.36Å; W55-C114 HydrophobicContact CZ3-CB 4.08Å
56	V	98.6	Very high	97.2	Very high	28 Å²	28	59.1 Å²	59.1	17%	0.17	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.9	175.4	-177.9	0	0	0	0	106.8	L64 E65 Y112 Y113	V56-L64 HydrophobicContact CG1-CB 3.82Å; V56-L64 HydrophobicContact CG1-CD2 3.79Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-E65 CarbonylContact C-O 3.58Å; V56-E65 WeakPolarHBondContact CA-O 3.38Å; V56-E65 WeakPolarHBondContact CG1-O 3.48Å; V56-Y112 WeakPolarHBondContact O-CA 3.23Å; V56-Y113 PolarHBondContact N-O 3.24Å; V56-Y113 PolarHBondContact O-N 3.39Å; V56-Y113 VanDerWaalsContact O-O 3.07Å
57	R	97.8	Very high	97.4	Very high	14 Å²	14	57.8 Å²	57.8	5%	0.053	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.1	176.6	73.7	-178.4	-174.6	176.8	9	111.5	E65 V67 E107 D108 A110 V111 Y112	R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 3.48Å; R57-E65 PolarHBondContact N-O 3.15Å; R57-E65 IonicContact NE-OE2 3.04Å; R57-E65 PolarHBondContact NE-OE2 3.27Å; R57-E65 IonicContact NH2-OE2 2.99Å; R57-E65 PolarHBondContact NH2-OE2 3.44Å; R57-E65 PolarHBondContact O-N 3.5Å; R57-V67 HydrophobicContact CB-CG2 3.75Å; R57-V67 HydrophobicContact CG-CG2 3.53Å; R57-E107 PolarHBondContact NH1-O 3.34Å; R57-E107 PolarHBondContact NH2-O 3.2Å; R57-D108 IonicContact NH1-OD1 3.27Å; R57-D108 PolarHBondContact NH1-OD1 2.86Å; R57-D108 VanDerWaalsContact NH1-OD1 3.07Å; R57-A110 HydrophobicContact CB-CB 3.83Å; R57-A110 HydrophobicContact CG-CB 4.15Å; R57-V111 CarbonylContact C-O 3.44Å; R57-V111 WeakPolarHBondContact CA-O 3.41Å; R57-Y112 HydrophobicContact CB-CD1 3.78Å; R57-Y112 HydrophobicContact CB-CD2 4.38Å; R57-Y112 HydrophobicContact CB-CE1 3.72Å; R57-Y112 HydrophobicContact CB-CE2 4.32Å; R57-Y112 HydrophobicContact CB-CG 4.12Å; R57-Y112 HydrophobicContact CG-CE1 4.41Å
58	Q	98	Very high	97.6	Very high	73 Å²	73	53.6 Å²	53.6	34%	0.341	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	112	173.4	-168.5	171.3	23	0	0	109.8	K62 L64 A110 V111 Y113	Q58-K62 WeakPolarHBondContact CG-O 3.44Å; Q58-K62 PolarHBondContact NE2-O 3.27Å; Q58-K62 VanDerWaalsContact NE2-O 3.15Å; Q58-L64 HydrophobicContact CB-CD2 4Å; Q58-L64 HydrophobicContact CG-CD2 4.46Å; Q58-A110 WeakPolarHBondContact O-CA 3.28Å; Q58-A110 WeakPolarHBondContact O-CB 3.37Å; Q58-V111 PolarHBondContact N-O 3.31Å; Q58-V111 PolarHBondContact O-N 2.81Å; Q58-Y113 HydrophobicContact CB-CE2 4.15Å
59	A	96.7	Very high	97.6	Very high	16 Å²	16	53.9 Å²	53.9	13%	0.132	32%	0.319	C	S	.	.			trans	-77.9	152.4	171.7	0	0	0	0	0	110.2	G61 K62 A110	A59-G61 PolarHBondContact O-N 3.44Å; A59-K62 HydrophobicContact CB-CB 4.15Å; A59-K62 HydrophobicContact CB-CD 4.05Å; A59-K62 HydrophobicContact CB-CG 4.18Å; A59-K62 PolarHBondContact O-N 3.4Å; A59-A110 HydrophobicContact CB-CB 4.36Å
60	P	95.6	Very high	97.7	Very high	115 Å²	115	51.8 Å²	51.8	75%	0.747	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.7	177.2	-25.5	34.5	0	0	0	111.8	K62	P60-K62 PolarHBondContact O-N 3.49Å
61	G	96.7	Very high	97.8	Very high	94 Å²	94	49 Å²	49	97%	0.969	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	6.1	-179	0	0	0	0	0	115.4	A59	A59-G61 PolarHBondContact O-N 3.44Å
62	K	95.3	Very high	97.8	Very high	128 Å²	128	48.6 Å²	48.6	56%	0.557	30%	0.295	S	S	*	.	S	Bend	trans	-112.4	164.6	176.1	-60.9	-163.5	-179.1	179.9	0	112.1	Q58 A59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.44Å; Q58-K62 PolarHBondContact NE2-O 3.27Å; Q58-K62 VanDerWaalsContact NE2-O 3.15Å; A59-K62 HydrophobicContact CB-CB 4.15Å; A59-K62 HydrophobicContact CB-CD 4.05Å; A59-K62 HydrophobicContact CB-CG 4.18Å; A59-K62 PolarHBondContact O-N 3.4Å; P60-K62 PolarHBondContact O-N 3.49Å
63	G	96.5	Very high	97.7	Very high	50 Å²	50	50.7 Å²	50.7	52%	0.515	32%	0.32	S	S	.	.			trans	-72.6	-179.5	170.9	0	0	0	0	0	112.9
64	L	97.9	Very high	97.6	Very high	121 Å²	121	52.6 Å²	52.6	63%	0.634	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.3	172.6	-67.2	168.1	0	0	0	110.2	V56 Q58 Y113	V56-L64 HydrophobicContact CG1-CB 3.82Å; V56-L64 HydrophobicContact CG1-CD2 3.79Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; Q58-L64 HydrophobicContact CB-CD2 4Å; Q58-L64 HydrophobicContact CG-CD2 4.46Å; L64-Y113 HydrophobicContact CD2-CD2 4.38Å
65	E	98	Very high	97.5	Very high	66 Å²	66	51.9 Å²	51.9	31%	0.308	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.1	175.6	-68.1	179.8	178.6	0	0	109.3	V56 R57	V56-E65 CarbonylContact C-O 3.58Å; V56-E65 WeakPolarHBondContact CA-O 3.38Å; V56-E65 WeakPolarHBondContact CG1-O 3.48Å; R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 3.48Å; R57-E65 PolarHBondContact N-O 3.15Å; R57-E65 IonicContact NE-OE2 3.04Å; R57-E65 PolarHBondContact NE-OE2 3.27Å; R57-E65 IonicContact NH2-OE2 2.99Å; R57-E65 PolarHBondContact NH2-OE2 3.44Å; R57-E65 PolarHBondContact O-N 3.5Å
66	W	98.4	Very high	97.5	Very high	105 Å²	105	54.7 Å²	54.7	40%	0.398	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.7	173.1	-179.8	91.7	0	0	0	110.5	H54 A69 A79	H54-W66 AromaticContact ND1-NE1 3.25Å; H54-W66 PolarHBondContact ND1-NE1 3.01Å; W66-A69 HydrophobicContact CZ2-CB 3.68Å; W66-A79 HydrophobicContact CE3-CB 3.88Å; W66-A79 HydrophobicContact CZ3-CB 3.99Å; W66-A79 WeakPolarHBondContact O-CB 3.17Å
67	V	98.5	Very high	97.5	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-53.8	-173.8	179.3	0	0	0	0	111.8	W55 R57 A79 V82 F86 L99 Y112	W55-V67 HydrophobicContact CB-CB 4.15Å; W55-V67 WeakPolarHBondContact O-CB 3.39Å; W55-V67 PolarHBondContact O-N 3.5Å; R57-V67 HydrophobicContact CB-CG2 3.75Å; R57-V67 HydrophobicContact CG-CG2 3.53Å; V67-A79 PolarHBondContact O-N 2.96Å; V67-V82 HydrophobicContact CG1-CG1 4.23Å; V67-V82 HydrophobicContact CG1-CG2 3.98Å; V67-V82 WeakPolarHBondContact O-CG2 3.42Å; V67-F86 HydrophobicContact CG1-CD2 3.9Å; V67-F86 HydrophobicContact CG1-CE2 4.25Å; V67-L99 HydrophobicContact CG1-CD2 4.22Å; V67-Y112 HydrophobicContact CG1-CE1 4.38Å; V67-Y112 HydrophobicContact CG2-CD1 4.46Å; V67-Y112 HydrophobicContact CG2-CE1 4.07Å
68	S	98.7	Very high	97.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	163.7	-178.8	57.7	0	0	0	0	111.7	H54 W55 Y77 L99	H54-S68 WeakPolarHBondContact CA-O 3.02Å; W55-S68 PolarHBondContact N-O 3.3Å; W55-S68 PolarHBondContact O-N 3.11Å; S68-Y77 CarbonylContact C-O 3.46Å; S68-Y77 WeakPolarHBondContact CA-O 3.36Å; S68-Y77 WeakPolarHBondContact CB-O 3.26Å; S68-L99 WeakPolarHBondContact OG-CD1 3.4Å
69	A	98.6	Very high	97.6	Very high	6 Å²	6	59.9 Å²	59.9	5%	0.05	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.1	175.1	0	0	0	0	0	111.7	M53 H54 W66 T76 Y77	M53-A69 CarbonylContact O-C 3.53Å; M53-A69 VanDerWaalsContact O-CA 3.29Å; M53-A69 WeakPolarHBondContact O-CA 3.41Å; H54-A69 VanDerWaalsContact CE1-CB 3.43Å; H54-A69 WeakPolarHBondContact CE1-CB 3.39Å; H54-A69 WeakPolarHBondContact ND1-CB 3.31Å; W66-A69 HydrophobicContact CZ2-CB 3.68Å; A69-T76 CarbonylContact O-C 3.55Å; A69-T76 VanDerWaalsContact O-CA 3.3Å; A69-T76 WeakPolarHBondContact O-CA 3.48Å; A69-Y77 HydrophobicContact CB-CD2 4.49Å; A69-Y77 PolarHBondContact N-O 3.13Å; A69-Y77 PolarHBondContact O-N 3.01Å
70	I	98.7	Very high	97.7	Very high	11 Å²	11	65.9 Å²	65.9	6%	0.056	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121.5	169.7	-172.3	163.4	0	0	0	109.5	A52 M53 G75 T76 I88 R90 L97	A52-I70 WeakPolarHBondContact CA-O 3.37Å; M53-I70 HydrophobicContact CB-CG2 4.18Å; M53-I70 PolarHBondContact N-O 3.37Å; M53-I70 PolarHBondContact O-N 3.35Å; I70-G75 WeakPolarHBondContact CA-O 3.31Å; I70-T76 HydrophobicContact CB-CG2 4.39Å; I70-T76 HydrophobicContact CD1-CG2 3.95Å; I70-T76 HydrophobicContact CG1-CG2 4.04Å; I70-I88 HydrophobicContact CB-CD1 4.02Å; I70-I88 HydrophobicContact CB-CG1 4.28Å; I70-I88 HydrophobicContact CB-CG2 4.11Å; I70-I88 HydrophobicContact CG2-CD1 3.73Å; I70-I88 HydrophobicContact CG2-CG1 4.04Å; I70-R90 HydrophobicContact CD1-CB 4.28Å; I70-R90 HydrophobicContact CD1-CG 3.76Å; I70-R90 HydrophobicContact CG1-CG 4.35Å; I70-R90 HydrophobicContact CG2-CB 4.18Å; I70-R90 HydrophobicContact CG2-CG 4.41Å; I70-L97 HydrophobicContact CG2-CD1 3.54Å
71	G	97.8	Very high	97.7	Very high	18 Å²	18	63.4 Å²	63.4	19%	0.186	40%	0.397	C	S	.	.			trans	-70.6	174.1	178.1	0	0	0	0	0	112.7	G73 G74 G75 R90	G71-G73 VanDerWaalsContact C-N 3.32Å; G71-G74 PolarHBondContact O-N 3.04Å; G71-G75 PolarHBondContact N-O 2.86Å; G71-R90 PolarHBondContact O-NH1 2.77Å; G71-R90 VanDerWaalsContact O-NH1 3.07Å
72	T	97.3	Very high	97.8	Very high	85 Å²	85	58.9 Å²	58.9	52%	0.521	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-36.6	173.6	54.1	0	0	0	0	111.8	S49 G74	S49-T72 WeakPolarHBondContact O-CG2 3.42Å; T72-G74 PolarHBondContact O-N 3.25Å
73	G	96	Very high	97.9	Very high	79 Å²	79	59.6 Å²	59.6	81%	0.814	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	5.9	172.9	0	0	0	0	0	115.1	G71 G75	G71-G73 VanDerWaalsContact C-N 3.32Å; G73-G75 PolarHBondContact O-N 2.99Å
74	G	96.6	Very high	97.9	Very high	40 Å²	40	61.1 Å²	61.1	41%	0.412	37%	0.369	S	S	.	.			trans	84.6	-2.9	177.2	0	0	0	0	0	116.1	G71 T72 T76	G71-G74 PolarHBondContact O-N 3.04Å; T72-G74 PolarHBondContact O-N 3.25Å; G74-T76 PolarHBondContact O-N 3.11Å
75	G	98.2	Very high	97.9	Very high	38 Å²	38	56.5 Å²	56.5	39%	0.392	34%	0.343	S	S	.	.			trans	-61.2	130.3	173.8	0	0	0	0	0	111.9	I70 G71 G73	I70-G75 WeakPolarHBondContact CA-O 3.31Å; G71-G75 PolarHBondContact N-O 2.86Å; G73-G75 PolarHBondContact O-N 2.99Å
76	T	98.7	Very high	97.9	Very high	60 Å²	60	53.5 Å²	53.5	37%	0.368	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.8	-175.9	60.5	0	0	0	0	112.6	A69 I70 G74 I88	A69-T76 CarbonylContact O-C 3.55Å; A69-T76 VanDerWaalsContact O-CA 3.3Å; A69-T76 WeakPolarHBondContact O-CA 3.48Å; I70-T76 HydrophobicContact CB-CG2 4.39Å; I70-T76 HydrophobicContact CD1-CG2 3.95Å; I70-T76 HydrophobicContact CG1-CG2 4.04Å; G74-T76 PolarHBondContact O-N 3.11Å; T76-I88 HydrophobicContact CG2-CG2 3.74Å
77	Y	98.5	Very high	98	Very high	154 Å²	154	51.8 Å²	51.8	60%	0.604	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.8	176.8	-55.6	-89.7	0	0	0	110.1	S68 A69	S68-Y77 CarbonylContact C-O 3.46Å; S68-Y77 WeakPolarHBondContact CA-O 3.36Å; S68-Y77 WeakPolarHBondContact CB-O 3.26Å; A69-Y77 HydrophobicContact CB-CD2 4.49Å; A69-Y77 PolarHBondContact N-O 3.13Å; A69-Y77 PolarHBondContact O-N 3.01Å
78	Y	98.7	Very high	98	Very high	54 Å²	54	52 Å²	52	21%	0.212	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.1	-176.3	-59.7	-84.9	0	0	0	110.6	F86 I88	Y78-F86 VanDerWaalsContact CE1-O 3.31Å; Y78-F86 WeakPolarHBondContact CE1-O 3.35Å; Y78-I88 HydrophobicContact CE1-CB 4.32Å; Y78-I88 HydrophobicContact CE1-CG2 3.96Å; Y78-I88 PolarHBondContact OH-N 3.12Å; Y78-I88 VanDerWaalsContact OH-N 3.11Å
79	A	98.3	Very high	97.9	Very high	17 Å²	17	54.4 Å²	54.4	14%	0.14	35%	0.348	C	S	.	.			trans	-68.3	147.4	168.3	0	0	0	0	0	109.8	W66 V67 S81 V82 K83	W66-A79 HydrophobicContact CE3-CB 3.88Å; W66-A79 HydrophobicContact CZ3-CB 3.99Å; W66-A79 WeakPolarHBondContact O-CB 3.17Å; V67-A79 PolarHBondContact O-N 2.96Å; A79-S81 PolarHBondContact O-N 2.98Å; A79-S81 VanDerWaalsContact O-N 3.13Å; A79-V82 HydrophobicContact CB-CG2 4.25Å; A79-V82 WeakPolarHBondContact O-CG2 3.47Å; A79-V82 PolarHBondContact O-N 2.99Å; A79-K83 PolarHBondContact O-N 3.13Å
80	D	98	Very high	97.9	Very high	142 Å²	142	56 Å²	56	76%	0.759	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-31.7	-178.2	-69	-32	0	0	0	112.6	V82	D80-V82 PolarHBondContact O-N 2.79Å
81	S	96.6	Very high	97.9	Very high	62 Å²	62	57.5 Å²	57.5	43%	0.434	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.5	177.9	58.1	0	0	0	0	114.2	A79 R85	A79-S81 PolarHBondContact O-N 2.98Å; A79-S81 VanDerWaalsContact O-N 3.13Å; S81-R85 PolarHBondContact O-NH2 2.87Å
82	V	98	Very high	97.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-7.5	-175.3	-57.3	0	0	0	0	113.7	V67 A79 D80 G84 R85 F86	V67-V82 HydrophobicContact CG1-CG1 4.23Å; V67-V82 HydrophobicContact CG1-CG2 3.98Å; V67-V82 WeakPolarHBondContact O-CG2 3.42Å; A79-V82 HydrophobicContact CB-CG2 4.25Å; A79-V82 WeakPolarHBondContact O-CG2 3.47Å; A79-V82 PolarHBondContact O-N 2.99Å; D80-V82 PolarHBondContact O-N 2.79Å; V82-G84 PolarHBondContact O-N 3.42Å; V82-R85 PolarHBondContact O-N 2.98Å; V82-F86 HydrophobicContact CB-CB 4.1Å; V82-F86 HydrophobicContact CB-CD1 4.35Å; V82-F86 HydrophobicContact CB-CD2 3.58Å; V82-F86 HydrophobicContact CB-CE2 4.03Å; V82-F86 HydrophobicContact CB-CG 3.76Å; V82-F86 HydrophobicContact CG1-CD2 3.59Å; V82-F86 HydrophobicContact CG1-CE2 3.52Å; V82-F86 HydrophobicContact CG1-CG 4.21Å; V82-F86 HydrophobicContact CG1-CZ 4.05Å; V82-F86 HydrophobicContact CG2-CB 4.37Å; V82-F86 HydrophobicContact CG2-CD2 4.12Å; V82-F86 HydrophobicContact CG2-CG 4.43Å; V82-F86 PolarHBondContact O-N 3.04Å
83	K	97.6	Very high	97.8	Very high	143 Å²	143	60.5 Å²	60.5	62%	0.622	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.3	-179.1	-168.4	173.5	-176.1	176.4	0	110.8	A79 R85	A79-K83 PolarHBondContact O-N 3.13Å; K83-R85 PolarHBondContact O-N 2.8Å
84	G	97.7	Very high	97.9	Very high	81 Å²	81	63.1 Å²	63.1	84%	0.835	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-5.6	-177	0	0	0	0	0	115.2	V82	V82-G84 PolarHBondContact O-N 3.42Å
85	R	97.7	Very high	97.9	Very high	24 Å²	24	64.1 Å²	64.1	9%	0.091	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-40.2	176.9	-60.3	-169.6	-59.4	112	-1	112.2	S81 V82 K83 N102 S103 D108	S81-R85 PolarHBondContact O-NH2 2.87Å; V82-R85 PolarHBondContact O-N 2.98Å; K83-R85 PolarHBondContact O-N 2.8Å; R85-N102 WeakPolarHBondContact O-CB 3.28Å; R85-N102 PolarHBondContact O-N 3.01Å; R85-N102 VanDerWaalsContact O-N 3.08Å; R85-N102 PolarHBondContact O-ND2 3.05Å; R85-S103 PolarHBondContact NH1-O 2.88Å; R85-D108 IonicContact CZ-OD1 2.93Å; R85-D108 IonicContact CZ-OD2 3.24Å; R85-D108 IonicContact NH1-OD1 3.07Å; R85-D108 IonicContact NH1-OD2 3.84Å; R85-D108 PolarHBondContact NH1-OD2 3.07Å; R85-D108 IonicContact NH2-OD1 3.8Å; R85-D108 PolarHBondContact NH2-OD1 2.86Å; R85-D108 IonicContact NH2-OD2 2.67Å; R85-D108 PolarHBondContact NH2-OD2 2.95Å
86	F	98.4	Very high	97.9	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	152.3	-178.1	-66.4	8.1	0	0	0	110.9	V67 Y78 V82 L99 Q100 M101 L104 D108 Y112	V67-F86 HydrophobicContact CG1-CD2 3.9Å; V67-F86 HydrophobicContact CG1-CE2 4.25Å; Y78-F86 VanDerWaalsContact CE1-O 3.31Å; Y78-F86 WeakPolarHBondContact CE1-O 3.35Å; V82-F86 HydrophobicContact CB-CB 4.1Å; V82-F86 HydrophobicContact CB-CD1 4.35Å; V82-F86 HydrophobicContact CB-CD2 3.58Å; V82-F86 HydrophobicContact CB-CE2 4.03Å; V82-F86 HydrophobicContact CB-CG 3.76Å; V82-F86 HydrophobicContact CG1-CD2 3.59Å; V82-F86 HydrophobicContact CG1-CE2 3.52Å; V82-F86 HydrophobicContact CG1-CG 4.21Å; V82-F86 HydrophobicContact CG1-CZ 4.05Å; V82-F86 HydrophobicContact CG2-CB 4.37Å; V82-F86 HydrophobicContact CG2-CD2 4.12Å; V82-F86 HydrophobicContact CG2-CG 4.43Å; V82-F86 PolarHBondContact O-N 3.04Å; F86-L99 HydrophobicContact CB-CD1 4.17Å; F86-L99 HydrophobicContact CD2-CD1 4.41Å; F86-L99 HydrophobicContact CD2-CD2 4.1Å; F86-L99 HydrophobicContact CD2-CG 4.4Å; F86-Q100 CarbonylContact C-O 3.47Å; F86-Q100 VanDerWaalsContact CA-O 3.23Å; F86-Q100 WeakPolarHBondContact CA-O 3.43Å; F86-M101 HydrophobicContact CD1-CB 3.74Å; F86-M101 HydrophobicContact CD1-CG 3.91Å; F86-M101 HydrophobicContact CD2-CG 3.85Å; F86-M101 HydrophobicContact CD2-SD 4.31Å; F86-M101 HydrophobicContact CE1-CB 3.57Å; F86-M101 HydrophobicContact CE1-CG 3.87Å; F86-M101 HydrophobicContact CE1-SD 4.46Å; F86-M101 HydrophobicContact CE2-CB 4.41Å; F86-M101 HydrophobicContact CE2-CG 3.78Å; F86-M101 HydrophobicContact CE2-SD 3.73Å; F86-M101 HydrophobicContact CG-CB 4.27Å; F86-M101 HydrophobicContact CG-CG 3.93Å; F86-M101 HydrophobicContact CZ-CB 3.93Å; F86-M101 HydrophobicContact CZ-CG 3.79Å; F86-M101 HydrophobicContact CZ-SD 3.83Å; F86-L104 HydrophobicContact CE1-CD2 3.97Å; F86-L104 HydrophobicContact CZ-CD2 3.88Å; F86-D108 HydrophobicContact CZ-CB 4.06Å; F86-Y112 HydrophobicContact CE2-CE1 4.38Å
87	T	98.5	Very high	97.9	Very high	69 Å²	69	60.2 Å²	60.2	42%	0.423	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	118.5	177.8	-53.9	0	0	0	0	109.5	Q100	T87-Q100 PolarHBondContact N-O 2.82Å; T87-Q100 PolarHBondContact O-N 2.91Å
88	I	98.7	Very high	97.9	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.1	175.1	-167.4	173.9	0	0	0	109.4	I70 T76 Y78 L97 Y98 L99	I70-I88 HydrophobicContact CB-CD1 4.02Å; I70-I88 HydrophobicContact CB-CG1 4.28Å; I70-I88 HydrophobicContact CB-CG2 4.11Å; I70-I88 HydrophobicContact CG2-CD1 3.73Å; I70-I88 HydrophobicContact CG2-CG1 4.04Å; T76-I88 HydrophobicContact CG2-CG2 3.74Å; Y78-I88 HydrophobicContact CE1-CB 4.32Å; Y78-I88 HydrophobicContact CE1-CG2 3.96Å; Y78-I88 PolarHBondContact OH-N 3.12Å; Y78-I88 VanDerWaalsContact OH-N 3.11Å; I88-L97 HydrophobicContact CD1-CD1 3.99Å; I88-L97 HydrophobicContact CG1-CD1 4.03Å; I88-Y98 WeakPolarHBondContact CA-O 3.34Å; I88-L99 HydrophobicContact CB-CD1 4.31Å
89	S	98.4	Very high	97.9	Very high	50 Å²	50	51.9 Å²	51.9	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.6	172.6	56.2	0	0	0	0	110.5	Y98	S89-Y98 PolarHBondContact N-O 3.36Å; S89-Y98 PolarHBondContact O-N 2.87Å
90	R	98	Very high	97.9	Very high	40 Å²	40	54 Å²	54	15%	0.151	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.6	-179.5	70.5	-175.7	-67.8	161.2	8.6	111	F48 Y51 I70 G71 N92 S96 L97	F48-R90 HydrophobicContact CE1-CB 4.29Å; F48-R90 PolarHBondContact O-NH2 2.81Å; Y51-R90 PolarHBondContact O-NH1 2.83Å; Y51-R90 PolarHBondContact O-NH2 2.8Å; I70-R90 HydrophobicContact CD1-CB 4.28Å; I70-R90 HydrophobicContact CD1-CG 3.76Å; I70-R90 HydrophobicContact CG1-CG 4.35Å; I70-R90 HydrophobicContact CG2-CB 4.18Å; I70-R90 HydrophobicContact CG2-CG 4.41Å; G71-R90 PolarHBondContact O-NH1 2.77Å; G71-R90 VanDerWaalsContact O-NH1 3.07Å; R90-N92 VanDerWaalsContact CZ-OD1 3.32Å; R90-N92 PolarHBondContact NE-OD1 2.75Å; R90-N92 PolarHBondContact NH2-OD1 3.2Å; R90-S96 CarbonylContact C-O 3.55Å; R90-S96 WeakPolarHBondContact CA-O 2.96Å; R90-L97 HydrophobicContact CB-CD1 4.17Å
91	D	97.8	Very high	98	Very high	42 Å²	42	47.4 Å²	47.4	23%	0.225	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	105	172.3	-176.6	-22.3	0	0	0	108.2	A93 K94 N95 S96 Y98	D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 WeakPolarHBondContact OD1-CB 3Å; D91-A93 PolarHBondContact OD1-N 2.85Å; D91-K94 HydrophobicContact CB-CB 4.31Å; D91-K94 PolarHBondContact O-N 3.47Å; D91-K94 PolarHBondContact OD1-N 2.87Å; D91-K94 VanDerWaalsContact OD1-N 3.13Å; D91-K94 WeakPolarHBondContact OD2-CD 3.2Å; D91-K94 VanDerWaalsContact OD2-CE 3.26Å; D91-K94 WeakPolarHBondContact OD2-CE 3.39Å; D91-K94 WeakPolarHBondContact OD2-CG 3.48Å; D91-K94 IonicContact OD2-NZ 3.4Å; D91-K94 PolarHBondContact OD2-NZ 3.27Å; D91-N95 PolarHBondContact O-N 2.83Å; D91-S96 PolarHBondContact N-O 3.15Å; D91-S96 PolarHBondContact O-N 2.88Å; D91-Y98 HydrophobicContact CB-CE2 4.06Å
92	N	97.3	Very high	98	Very high	67 Å²	67	47 Å²	47	36%	0.358	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.4	-177.8	-69.7	-19.6	0	0	0	112.7	F48 R90 K94 N95	F48-N92 WeakPolarHBondContact CD1-OD1 3.2Å; R90-N92 VanDerWaalsContact CZ-OD1 3.32Å; R90-N92 PolarHBondContact NE-OD1 2.75Å; R90-N92 PolarHBondContact NH2-OD1 3.2Å; N92-K94 VanDerWaalsContact C-N 3.27Å; N92-N95 PolarHBondContact O-N 2.95Å; N92-N95 PolarHBondContact O-OD1 2Å
93	A	96.9	Very high	97.9	Very high	98 Å²	98	50.3 Å²	50.3	81%	0.81	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.9	177.1	0	0	0	0	0	111.2	D91	D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 WeakPolarHBondContact OD1-CB 3Å; D91-A93 PolarHBondContact OD1-N 2.85Å
94	K	97.3	Very high	97.9	Very high	134 Å²	134	44.2 Å²	44.2	58%	0.583	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	4.8	177.6	-60.1	-179	-166.6	151.4	0	113.9	D91 N92 S96	D91-K94 HydrophobicContact CB-CB 4.31Å; D91-K94 PolarHBondContact O-N 3.47Å; D91-K94 PolarHBondContact OD1-N 2.87Å; D91-K94 VanDerWaalsContact OD1-N 3.13Å; D91-K94 WeakPolarHBondContact OD2-CD 3.2Å; D91-K94 VanDerWaalsContact OD2-CE 3.26Å; D91-K94 WeakPolarHBondContact OD2-CE 3.39Å; D91-K94 WeakPolarHBondContact OD2-CG 3.48Å; D91-K94 IonicContact OD2-NZ 3.4Å; D91-K94 PolarHBondContact OD2-NZ 3.27Å; N92-K94 VanDerWaalsContact C-N 3.27Å; K94-S96 PolarHBondContact O-N 2.88Å; K94-S96 VanDerWaalsContact O-N 3.12Å; K94-S96 PolarHBondContact O-OG 2.79Å
95	N	97.3	Very high	97.8	Very high	61 Å²	61	47 Å²	47	33%	0.326	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	42.8	-172	-59.1	-35.6	0	0	0	112.8	G43 F48 D91 N92	G43-N95 PolarHBondContact N-O 2.89Å; G43-N95 WeakPolarHBondContact O-CB 3.38Å; F48-N95 HydrophobicContact CB-CB 3.86Å; F48-N95 VanDerWaalsContact CB-OD1 3.28Å; F48-N95 WeakPolarHBondContact CB-OD1 3.27Å; F48-N95 HydrophobicContact CD2-CB 4.19Å; F48-N95 HydrophobicContact CG-CB 3.97Å; D91-N95 PolarHBondContact O-N 2.83Å; N92-N95 PolarHBondContact O-N 2.95Å; N92-N95 PolarHBondContact O-OD1 2Å
96	S	98.3	Very high	97.6	Very high	17 Å²	17	49.3 Å²	49.3	12%	0.119	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.8	-168.8	-69.1	0	0	0	0	112	C41 R90 D91 K94 Y98	C41-S96 CarbonylContact O-C 3.56Å; C41-S96 WeakPolarHBondContact O-CA 3.3Å; R90-S96 CarbonylContact C-O 3.55Å; R90-S96 WeakPolarHBondContact CA-O 2.96Å; D91-S96 PolarHBondContact N-O 3.15Å; D91-S96 PolarHBondContact O-N 2.88Å; K94-S96 PolarHBondContact O-N 2.88Å; K94-S96 VanDerWaalsContact O-N 3.12Å; K94-S96 PolarHBondContact O-OG 2.79Å; S96-Y98 WeakPolarHBondContact CB-OH 3.38Å
97	L	98.6	Very high	97.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.7	172.4	-172.4	72.2	0	0	0	109.2	S40 C41 F48 M53 W55 I70 I88 R90 C114	S40-L97 CarbonylContact C-O 3.49Å; S40-L97 WeakPolarHBondContact CA-O 3.49Å; C41-L97 HydrophobicContact CB-CB 4.14Å; C41-L97 PolarHBondContact N-O 2.88Å; C41-L97 PolarHBondContact O-N 2.86Å; F48-L97 HydrophobicContact CZ-CB 4.14Å; M53-L97 HydrophobicContact CB-CD1 3.56Å; M53-L97 HydrophobicContact CB-CD2 3.85Å; M53-L97 HydrophobicContact CB-CG 4.24Å; M53-L97 HydrophobicContact CE-CD2 4.49Å; M53-L97 HydrophobicContact CG-CD1 4.35Å; W55-L97 HydrophobicContact CD2-CD2 4.36Å; W55-L97 HydrophobicContact CG-CD2 4.36Å; W55-L97 HydrophobicContact CZ2-CD2 4.28Å; W55-L97 VanDerWaalsContact NE1-CD2 3.28Å; I70-L97 HydrophobicContact CG2-CD1 3.54Å; I88-L97 HydrophobicContact CD1-CD1 3.99Å; I88-L97 HydrophobicContact CG1-CD1 4.03Å; R90-L97 HydrophobicContact CB-CD1 4.17Å; L97-C114 HydrophobicContact CD2-CB 3.92Å
98	Y	98.6	Very high	97.3	Very high	32 Å²	32	52.1 Å²	52.1	13%	0.125	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.2	179.2	-54.2	-72.1	0	0	0	111.1	R38 L39 S40 I88 S89 D91 S96	R38-Y98 VanDerWaalsContact NH2-CE1 3.31Å; L39-Y98 VanDerWaalsContact O-CA 3.31Å; L39-Y98 WeakPolarHBondContact O-CA 3.22Å; S40-Y98 VanDerWaalsContact OG-CD1 3.27Å; S40-Y98 WeakPolarHBondContact OG-CD1 3.12Å; S40-Y98 WeakPolarHBondContact OG-CE1 3.36Å; I88-Y98 WeakPolarHBondContact CA-O 3.34Å; S89-Y98 PolarHBondContact N-O 3.36Å; S89-Y98 PolarHBondContact O-N 2.87Å; D91-Y98 HydrophobicContact CB-CE2 4.06Å; S96-Y98 WeakPolarHBondContact CB-OH 3.38Å
99	L	98.8	Very high	97.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	105.8	168.7	-170.6	66	0	0	0	108.6	R38 L39 W55 V67 S68 F86 I88 M101 Y112	R38-L99 WeakPolarHBondContact CA-O 3.29Å; L39-L99 HydrophobicContact CB-CB 4.21Å; L39-L99 HydrophobicContact CD1-CD2 4.3Å; L39-L99 PolarHBondContact N-O 3.25Å; L39-L99 PolarHBondContact O-N 2.89Å; W55-L99 HydrophobicContact CB-CD2 4.27Å; W55-L99 HydrophobicContact CD2-CB 4.25Å; W55-L99 HydrophobicContact CD2-CD2 4.29Å; W55-L99 HydrophobicContact CG-CB 4.26Å; W55-L99 HydrophobicContact CG-CD2 4.02Å; W55-L99 HydrophobicContact CZ2-CB 4.33Å; V67-L99 HydrophobicContact CG1-CD2 4.22Å; S68-L99 WeakPolarHBondContact OG-CD1 3.4Å; F86-L99 HydrophobicContact CB-CD1 4.17Å; F86-L99 HydrophobicContact CD2-CD1 4.41Å; F86-L99 HydrophobicContact CD2-CD2 4.1Å; F86-L99 HydrophobicContact CD2-CG 4.4Å; I88-L99 HydrophobicContact CB-CD1 4.31Å; L99-M101 HydrophobicContact CD2-CG 3.98Å; L99-M101 HydrophobicContact CD2-SD 3.9Å; L99-M101 HydrophobicContact CG-CG 3.86Å; L99-M101 HydrophobicContact CG-SD 4.42Å; L99-Y112 HydrophobicContact CD2-CD1 4.09Å; L99-Y112 HydrophobicContact CD2-CE1 4.13Å
100	Q	98.4	Very high	97.1	Very high	61 Å²	61	56.9 Å²	56.9	29%	0.285	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.4	168.9	-179.3	61.5	37.6	0	0	108.2	F86 T87 N102	F86-Q100 CarbonylContact C-O 3.47Å; F86-Q100 VanDerWaalsContact CA-O 3.23Å; F86-Q100 WeakPolarHBondContact CA-O 3.43Å; T87-Q100 PolarHBondContact N-O 2.82Å; T87-Q100 PolarHBondContact O-N 2.91Å; Q100-N102 PolarHBondContact NE2-OD1 2.9Å
101	M	98.2	Very high	97.1	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.025	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120	-180	-58.2	-177.3	-61.1	0	0	108.5	S36 L37 L39 F86 L99 L104 Y112	S36-M101 CarbonylContact C-O 3.53Å; S36-M101 WeakPolarHBondContact CA-O 3.41Å; S36-M101 VanDerWaalsContact CB-O 3.32Å; S36-M101 WeakPolarHBondContact CB-O 3.44Å; L37-M101 HydrophobicContact CB-CE 3.81Å; L37-M101 HydrophobicContact CD2-CE 3.72Å; L37-M101 HydrophobicContact CG-CE 4.07Å; L37-M101 PolarHBondContact N-O 3.49Å; L37-M101 WeakPolarHBondContact O-CB 3.38Å; L37-M101 PolarHBondContact O-N 3.2Å; L39-M101 HydrophobicContact CD1-CE 3.84Å; L39-M101 HydrophobicContact CD1-SD 4.05Å; L39-M101 HydrophobicContact CD2-CE 3.84Å; L39-M101 HydrophobicContact CG-CE 3.55Å; L39-M101 HydrophobicContact CG-SD 4.25Å; F86-M101 HydrophobicContact CD1-CB 3.74Å; F86-M101 HydrophobicContact CD1-CG 3.91Å; F86-M101 HydrophobicContact CD2-CG 3.85Å; F86-M101 HydrophobicContact CD2-SD 4.31Å; F86-M101 HydrophobicContact CE1-CB 3.57Å; F86-M101 HydrophobicContact CE1-CG 3.87Å; F86-M101 HydrophobicContact CE1-SD 4.46Å; F86-M101 HydrophobicContact CE2-CB 4.41Å; F86-M101 HydrophobicContact CE2-CG 3.78Å; F86-M101 HydrophobicContact CE2-SD 3.73Å; F86-M101 HydrophobicContact CG-CB 4.27Å; F86-M101 HydrophobicContact CG-CG 3.93Å; F86-M101 HydrophobicContact CZ-CB 3.93Å; F86-M101 HydrophobicContact CZ-CG 3.79Å; F86-M101 HydrophobicContact CZ-SD 3.83Å; L99-M101 HydrophobicContact CD2-CG 3.98Å; L99-M101 HydrophobicContact CD2-SD 3.9Å; L99-M101 HydrophobicContact CG-CG 3.86Å; L99-M101 HydrophobicContact CG-SD 4.42Å; M101-L104 HydrophobicContact CB-CD1 4.31Å; M101-L104 HydrophobicContact CB-CD2 3.89Å; M101-L104 HydrophobicContact CB-CG 4.17Å; M101-L104 HydrophobicContact CE-CD2 4.45Å; M101-L104 HydrophobicContact SD-CD2 4.31Å; M101-Y112 HydrophobicContact SD-CE1 4.16Å
102	N	97	Very high	97.1	Very high	53 Å²	53	58 Å²	58	28%	0.283	32%	0.318	S	S	.	.			trans	-117.6	158.5	176.6	-55.3	-56.9	0	0	0	110.5	S36 R85 Q100 L104	S36-N102 PolarHBondContact OG-OD1 2.82Å; R85-N102 WeakPolarHBondContact O-CB 3.28Å; R85-N102 PolarHBondContact O-N 3.01Å; R85-N102 VanDerWaalsContact O-N 3.08Å; R85-N102 PolarHBondContact O-ND2 3.05Å; Q100-N102 PolarHBondContact NE2-OD1 2.9Å; N102-L104 VanDerWaalsContact C-N 3.26Å; N102-L104 PolarHBondContact O-N 3.36Å
103	S	96.7	Very high	97.1	Very high	69 Å²	69	59.3 Å²	59.3	48%	0.483	32%	0.318	S	S	.	.	S	Bend	trans	50.6	50.1	178.4	-53.9	0	0	0	0	111.2	G35 R85	G35-S103 PolarHBondContact O-N 2.95Å; R85-S103 PolarHBondContact NH1-O 2.88Å
104	L	97.2	Very high	97.2	Very high	16 Å²	16	55 Å²	55	8%	0.084	28%	0.282	C	S	.	.			trans	-61.4	138.2	-176.3	-82	163.4	0	0	0	111	V31 G34 G35 L37 F86 M101 N102 D108	V31-L104 HydrophobicContact CG2-CD1 3.41Å; V31-L104 VanDerWaalsContact CG2-CD1 3.41Å; G34-L104 PolarHBondContact N-O 3.07Å; G35-L104 PolarHBondContact O-N 2.81Å; L37-L104 HydrophobicContact CB-CD1 3.83Å; F86-L104 HydrophobicContact CE1-CD2 3.97Å; F86-L104 HydrophobicContact CZ-CD2 3.88Å; M101-L104 HydrophobicContact CB-CD1 4.31Å; M101-L104 HydrophobicContact CB-CD2 3.89Å; M101-L104 HydrophobicContact CB-CG 4.17Å; M101-L104 HydrophobicContact CE-CD2 4.45Å; M101-L104 HydrophobicContact SD-CD2 4.31Å; N102-L104 VanDerWaalsContact C-N 3.26Å; N102-L104 PolarHBondContact O-N 3.36Å; L104-D108 HydrophobicContact CD2-CB 3.67Å
105	R	95.9	Very high	97.2	Very high	139 Å²	139	50.3 Å²	50.3	53%	0.525	27%	0.268	S	S	.	.			trans	-115.9	167.3	179.1	-53.2	177.7	179.1	171.4	-2.1	110.3	E107 D108	R105-E107 WeakPolarHBondContact CB-OE2 3.17Å; R105-E107 WeakPolarHBondContact CD-OE2 3.41Å; R105-E107 PolarHBondContact O-N 3.42Å; R105-D108 PolarHBondContact N-OD2 3.06Å; R105-D108 WeakPolarHBondContact O-CB 3.32Å; R105-D108 PolarHBondContact O-N 3.03Å
106	A	94.2	Very high	97	Very high	72 Å²	72	53 Å²	53	60%	0.595	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-58.6	-32.9	175.6	0	0	0	0	0	111.8	D108 M109	A106-D108 PolarHBondContact O-N 2.96Å; A106-M109 WeakPolarHBondContact O-CB 3.44Å; A106-M109 PolarHBondContact O-N 3.36Å
107	E	94	Very high	97	Very high	126 Å²	126	54.8 Å²	54.8	59%	0.589	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-71.6	-10.5	178.7	-48.1	78.6	-150.1	0	0	113.7	R57 R105 M109	R57-E107 PolarHBondContact NH1-O 3.34Å; R57-E107 PolarHBondContact NH2-O 3.2Å; R105-E107 WeakPolarHBondContact CB-OE2 3.17Å; R105-E107 WeakPolarHBondContact CD-OE2 3.41Å; R105-E107 PolarHBondContact O-N 3.42Å; E107-M109 VanDerWaalsContact C-N 3.33Å
108	D	96.5	Very high	96.9	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.032	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.7	-5.2	176.2	-58.8	-44.6	0	0	0	113.1	R57 R85 F86 L104 R105 A106 A110 Y112	R57-D108 IonicContact NH1-OD1 3.27Å; R57-D108 PolarHBondContact NH1-OD1 2.86Å; R57-D108 VanDerWaalsContact NH1-OD1 3.07Å; R85-D108 IonicContact CZ-OD1 2.93Å; R85-D108 IonicContact CZ-OD2 3.24Å; R85-D108 IonicContact NH1-OD1 3.07Å; R85-D108 IonicContact NH1-OD2 3.84Å; R85-D108 PolarHBondContact NH1-OD2 3.07Å; R85-D108 IonicContact NH2-OD1 3.8Å; R85-D108 PolarHBondContact NH2-OD1 2.86Å; R85-D108 IonicContact NH2-OD2 2.67Å; R85-D108 PolarHBondContact NH2-OD2 2.95Å; F86-D108 HydrophobicContact CZ-CB 4.06Å; L104-D108 HydrophobicContact CD2-CB 3.67Å; R105-D108 PolarHBondContact N-OD2 3.06Å; R105-D108 WeakPolarHBondContact O-CB 3.32Å; R105-D108 PolarHBondContact O-N 3.03Å; A106-D108 PolarHBondContact O-N 2.96Å; D108-A110 PolarHBondContact O-N 3.45Å; D108-A110 VanDerWaalsContact O-N 3.13Å; D108-Y112 WeakPolarHBondContact O-CE2 3.21Å; D108-Y112 PolarHBondContact O-OH 3.48Å
109	M	95.5	Very high	96.8	Very high	131 Å²	131	59.1 Å²	59.1	65%	0.645	31%	0.305	S	S	*	.			trans	-69.3	105.5	176.3	-172.7	-178.2	-62.7	0	0	110.5	A106 E107	A106-M109 WeakPolarHBondContact O-CB 3.44Å; A106-M109 PolarHBondContact O-N 3.36Å; E107-M109 VanDerWaalsContact C-N 3.33Å
110	A	96.8	Very high	96.7	Very high	26 Å²	26	62.5 Å²	62.5	22%	0.215	32%	0.323	C	S	.	.	S	Bend	trans	-160.3	166.1	-177.2	0	0	0	0	0	110.4	R57 Q58 A59 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.83Å; R57-A110 HydrophobicContact CG-CB 4.15Å; Q58-A110 WeakPolarHBondContact O-CA 3.28Å; Q58-A110 WeakPolarHBondContact O-CB 3.37Å; A59-A110 HydrophobicContact CB-CB 4.36Å; D108-A110 PolarHBondContact O-N 3.45Å; D108-A110 VanDerWaalsContact O-N 3.13Å; A110-Y112 HydrophobicContact CB-CD2 4.4Å; A110-Y112 HydrophobicContact CB-CE2 3.94Å; A110-Y112 VanDerWaalsContact O-CD2 3.32Å; A110-Y112 WeakPolarHBondContact O-CD2 3.39Å
111	V	97.5	Very high	96.6	Very high	80 Å²	80	62.6 Å²	62.6	49%	0.485	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.5	162.4	-173.2	0	0	0	0	108	R57 Q58 Y113	R57-V111 CarbonylContact C-O 3.44Å; R57-V111 WeakPolarHBondContact CA-O 3.41Å; Q58-V111 PolarHBondContact N-O 3.31Å; Q58-V111 PolarHBondContact O-N 2.81Å; V111-Y113 HydrophobicContact CB-CE2 4Å; V111-Y113 HydrophobicContact CG1-CD2 4.49Å; V111-Y113 HydrophobicContact CG1-CE1 3.92Å; V111-Y113 HydrophobicContact CG1-CE2 3.74Å; V111-Y113 VanDerWaalsContact CG1-CZ 3.41Å; V111-Y113 WeakPolarHBondContact CG1-OH 3.43Å
112	Y	98.2	Very high	96.4	Very high	26 Å²	26	66.5 Å²	66.5	10%	0.102	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.1	-179	-74.6	-103.4	0	0	0	110.4	L39 V56 R57 V67 F86 L99 M101 D108 A110	L39-Y112 VanDerWaalsContact CD1-CB 3.45Å; L39-Y112 HydrophobicContact CD1-CD1 3.82Å; L39-Y112 HydrophobicContact CD1-CD2 3.94Å; L39-Y112 HydrophobicContact CD1-CG 3.46Å; L39-Y112 VanDerWaalsContact CD1-CG 3.46Å; V56-Y112 WeakPolarHBondContact O-CA 3.23Å; R57-Y112 HydrophobicContact CB-CD1 3.78Å; R57-Y112 HydrophobicContact CB-CD2 4.38Å; R57-Y112 HydrophobicContact CB-CE1 3.72Å; R57-Y112 HydrophobicContact CB-CE2 4.32Å; R57-Y112 HydrophobicContact CB-CG 4.12Å; R57-Y112 HydrophobicContact CG-CE1 4.41Å; V67-Y112 HydrophobicContact CG1-CE1 4.38Å; V67-Y112 HydrophobicContact CG2-CD1 4.46Å; V67-Y112 HydrophobicContact CG2-CE1 4.07Å; F86-Y112 HydrophobicContact CE2-CE1 4.38Å; L99-Y112 HydrophobicContact CD2-CD1 4.09Å; L99-Y112 HydrophobicContact CD2-CE1 4.13Å; M101-Y112 HydrophobicContact SD-CE1 4.16Å; D108-Y112 WeakPolarHBondContact O-CE2 3.21Å; D108-Y112 PolarHBondContact O-OH 3.48Å; A110-Y112 HydrophobicContact CB-CD2 4.4Å; A110-Y112 HydrophobicContact CB-CE2 3.94Å; A110-Y112 VanDerWaalsContact O-CD2 3.32Å; A110-Y112 WeakPolarHBondContact O-CD2 3.39Å
113	Y	98.2	Very high	96.4	Very high	94 Å²	94	67.4 Å²	67.4	37%	0.369	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133	177.8	-56.1	-80.1	0	0	0	108.8	V56 Q58 L64 V111	V56-Y113 PolarHBondContact N-O 3.24Å; V56-Y113 PolarHBondContact O-N 3.39Å; V56-Y113 VanDerWaalsContact O-O 3.07Å; Q58-Y113 HydrophobicContact CB-CE2 4.15Å; L64-Y113 HydrophobicContact CD2-CD2 4.38Å; V111-Y113 HydrophobicContact CB-CE2 4Å; V111-Y113 HydrophobicContact CG1-CD2 4.49Å; V111-Y113 HydrophobicContact CG1-CE1 3.92Å; V111-Y113 HydrophobicContact CG1-CE2 3.74Å; V111-Y113 VanDerWaalsContact CG1-CZ 3.41Å; V111-Y113 WeakPolarHBondContact CG1-OH 3.43Å
114	C	98	Very high	96.4	Very high	7 Å²	7	67.3 Å²	67.3	5%	0.047	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.6	162.3	57.2	0	0	0	0	109.8	L23 Q25 C41 H54 W55 L97	L23-C114 WeakPolarHBondContact CD1-O 3.45Å; Q25-C114 PolarHBondContact NE2-SG 2.98Å; C41-C114 HydrophobicContact CB-CB 3.45Å; C41-C114 VanDerWaalsContact CB-CB 3.45Å; C41-C114 WeakPolarHBondContact CB-SG 3.49Å; C41-C114 WeakPolarHBondContact SG-CB 3.46Å; C41-C114 CovalentContact SG-SG 2Å; C41-C114 PolarHBondContact SG-SG 3.49Å; H54-C114 CarbonylContact O-C 3.59Å; H54-C114 WeakPolarHBondContact O-CA 3.37Å; W55-C114 HydrophobicContact CD2-CB 4.36Å; W55-C114 HydrophobicContact CE3-CB 4.17Å; W55-C114 HydrophobicContact CH2-CB 4.19Å; W55-C114 HydrophobicContact CZ2-CB 4.36Å; W55-C114 HydrophobicContact CZ3-CB 4.08Å; L97-C114 HydrophobicContact CD2-CB 3.92Å
115	A	97.7	Very high	96.3	Very high	36 Å²	36	71.6 Å²	71.6	30%	0.298	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.1	177	0	0	0	0	0	110.2	M53 H54	M53-A115 WeakPolarHBondContact CE-O 3.38Å; H54-A115 HydrophobicContact CB-CB 4.27Å; H54-A115 PolarHBondContact N-O 3.03Å; H54-A115 PolarHBondContact O-N 3.16Å
116	R	93.3	Very high	96.3	Very high	116 Å²	116	65.5 Å²	65.5	44%	0.438	35%	0.347	S	S	.	.			trans	-104.7	0	174.1	-175.3	-167.5	79.1	-179.9	-2.8	109.3	L23 F46 Y51 M53	L23-R116 HydrophobicContact CD1-CB 4.44Å; F46-R116 HydrophobicContact CD2-CG 4.43Å; F46-R116 HydrophobicContact CE2-CG 3.87Å; F46-R116 HydrophobicContact CZ-CG 4.37Å; Y51-R116 HydrophobicContact CD1-CG 3.63Å; Y51-R116 HydrophobicContact CD2-CG 4.11Å; Y51-R116 HydrophobicContact CE1-CG 4.47Å; Y51-R116 HydrophobicContact CG-CG 3.41Å; Y51-R116 VanDerWaalsContact CG-CG 3.41Å; M53-R116 HydrophobicContact CE-CB 4.23Å; M53-R116 HydrophobicContact SD-CB 3.98Å; M53-R116 HydrophobicContact SD-CG 3.96Å

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