A0A075B5R2_MOUSE Loading...

Immunoglobulin heavy variable 7-3

AlphaFold DB , UniProt , Accession A0A075B5R2, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 120 aa.

						>A0A075B5R2_MOUSE|A0A075B5R2|Ighv7-3
MKLWLNWIFLVTLLNGIQCEVKLVESGGGLVQPGGSLSLSCAASGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNALRAEDSATYYCARY
					

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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	53	Low	58.1	Low	230 Å²	230	150.3 Å²	150.3	100%	1.133	71%	0.708	S	S	*	*				0	1.7	0	-86.4	165.9	61.7	0	0	115.9
2	K	58	Low	58.4	Low	189 Å²	189	146.1 Å²	146.1	82%	0.822	70%	0.7	S	S	*	*			trans	-93.8	-14.2	-179.8	-92.7	-178.4	174.5	-179	0	116
3	L	58.3	Low	58.4	Low	153 Å²	153	144.5 Å²	144.5	80%	0.801	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-22.5	-174.6	-68.9	169.1	0	0	0	113.8
4	W	56.4	Low	58.6	Low	217 Å²	217	145 Å²	145	82%	0.822	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-30.7	-178	-128.7	-10.1	0	0	0	113.3	N6 W7	W4-N6 VanDerWaalsContact C-N 3.28Å; W4-N6 PolarHBondContact O-N 3.39Å; W4-W7 PolarHBondContact O-N 3Å
5	L	58	Low	58.7	Low	102 Å²	102	144.5 Å²	144.5	53%	0.534	71%	0.706	S	S	.	*	H	α-helix	trans	-63.9	-34.6	176.2	-75.4	157	0	0	0	111.5	W7 I8 F9	L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 2.77Å; L5-I8 PolarHBondContact O-N 2.86Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 PolarHBondContact O-N 3.17Å
6	N	58	Low	59	Low	101 Å²	101	139.4 Å²	139.4	54%	0.54	70%	0.703	S	S	.	*	H	α-helix	trans	-67.2	-24	-177.1	-156.9	39.7	0	0	0	113.5	W4	W4-N6 VanDerWaalsContact C-N 3.28Å; W4-N6 PolarHBondContact O-N 3.39Å
7	W	57.1	Low	59.4	Low	188 Å²	188	140.1 Å²	140.1	71%	0.712	71%	0.707	S	S	*	*	H	α-helix	trans	-78.4	-32.2	176	-81.3	8.8	0	0	0	113	W4 L5 F9 L10	W4-W7 PolarHBondContact O-N 3Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 2.77Å; W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 PolarHBondContact O-N 3.24Å; W7-L10 WeakPolarHBondContact O-CB 3.27Å; W7-L10 PolarHBondContact O-N 3.22Å
8	I	61.3	Low	59.4	Low	116 Å²	116	139.8 Å²	139.8	60%	0.595	70%	0.703	S	S	*	*	H	α-helix	trans	-67.9	-36.2	176.9	-57.7	173.8	0	0	0	110.4	L5 L10 V11	L5-I8 PolarHBondContact O-N 2.86Å; I8-L10 PolarHBondContact O-N 2.83Å; I8-V11 PolarHBondContact O-N 3Å
9	F	59.4	Low	60.3	Low	143 Å²	143	138.2 Å²	138.2	63%	0.627	70%	0.704	S	S	*	*	H	α-helix	trans	-66.1	-20.6	174	-73.8	-75.1	0	0	0	113.9	L5 W7 T12	L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 PolarHBondContact O-N 3.17Å; W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 PolarHBondContact O-N 3.24Å; F9-T12 PolarHBondContact O-OG1 3.02Å; F9-T12 VanDerWaalsContact O-OG1 3.13Å
10	L	59.4	Low	61.8	Low	111 Å²	111	137.3 Å²	137.3	58%	0.581	70%	0.697	S	S	*	*	H	α-helix	trans	-80.4	-26.2	178.4	-115.8	134.7	0	0	0	112.6	W7 I8 T12	W7-L10 WeakPolarHBondContact O-CB 3.27Å; W7-L10 PolarHBondContact O-N 3.22Å; I8-L10 PolarHBondContact O-N 2.83Å; L10-T12 VanDerWaalsContact C-N 3.35Å
11	V	60.2	Low	63.3	Low	103 Å²	103	133.7 Å²	133.7	62%	0.624	68%	0.682	S	S	*	*	H	α-helix	trans	-76.5	-22.1	-178	-176	0	0	0	0	112.2	I8 L13	I8-V11 PolarHBondContact O-N 3Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 2.86Å
12	T	61.3	Low	65.4	Low	100 Å²	100	125.9 Å²	125.9	61%	0.613	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-3	179.1	55.3	0	0	0	0	114.2	F9 L10	F9-T12 PolarHBondContact O-OG1 3.02Å; F9-T12 VanDerWaalsContact O-OG1 3.13Å; L10-T12 VanDerWaalsContact C-N 3.35Å
13	L	59.5	Low	67.3	Low	125 Å²	125	119.1 Å²	119.1	65%	0.654	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	0.4	-179.9	-67.3	173.8	0	0	0	114.3	V11 N15	V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 2.86Å; L13-N15 PolarHBondContact O-N 3.38Å
14	L	60.2	Low	69.2	Low	152 Å²	152	116 Å²	116	80%	0.796	60%	0.601	S	S	*	*			trans	-77.4	65.3	165.2	-59.5	177.4	0	0	0	109	G16	L14-G16 PolarHBondContact O-N 2.98Å
15	N	60.4	Low	71.2	Confident	138 Å²	138	108.9 Å²	108.9	74%	0.738	58%	0.577	S	S	*	*			trans	-59.5	95.2	158.5	-71.3	-38.6	0	0	0	105.5	L13 I17	L13-N15 PolarHBondContact O-N 3.38Å; N15-I17 PolarHBondContact O-N 2.69Å
16	G	63.5	Low	73.1	Confident	63 Å²	63	107 Å²	107	65%	0.649	57%	0.572	S	S	*	*			trans	-49	127.7	177.1	0	0	0	0	0	108.3	L14 Q18	L14-G16 PolarHBondContact O-N 2.98Å; G16-Q18 PolarHBondContact O-N 3.21Å
17	I	66.4	Low	74.9	Confident	151 Å²	151	103.9 Å²	103.9	77%	0.774	56%	0.564	S	S	*	*			trans	-59.1	106.3	173.6	-61	173	0	0	0	105.8	N15 C19	N15-I17 PolarHBondContact O-N 2.69Å; I17-C19 VanDerWaalsContact C-N 3.28Å; I17-C19 VanDerWaalsContact CG2-SG 3.56Å; I17-C19 PolarHBondContact O-N 2.66Å
18	Q	59.1	Low	76.5	Confident	135 Å²	135	97.9 Å²	97.9	63%	0.631	56%	0.56	S	S	*	*			trans	-72.8	90.6	170.9	-87.3	-175.4	-54.6	0	0	107.5	G16 E20	G16-Q18 PolarHBondContact O-N 3.21Å; Q18-E20 PolarHBondContact O-N 3.18Å
19	C	75.6	Confident	78	Confident	109 Å²	109	95.1 Å²	95.1	74%	0.736	56%	0.561	S	S	*	*			trans	-75.3	14.2	169.1	-70.5	0	0	0	0	112.8	I17	I17-C19 VanDerWaalsContact C-N 3.28Å; I17-C19 VanDerWaalsContact CG2-SG 3.56Å; I17-C19 PolarHBondContact O-N 2.66Å
20	E	90.6	Very high	79.7	Confident	119 Å²	119	96.7 Å²	96.7	56%	0.556	58%	0.575	S	S	*	*			trans	-83.5	127.5	-178.9	-171.9	179.3	-158.4	0	0	110	Q18 K22	Q18-E20 PolarHBondContact O-N 3.18Å; E20-K22 PolarHBondContact O-N 2.94Å; E20-K22 WeakPolarHBondContact OE2-CE 3.13Å
21	V	93.7	Very high	81.4	Confident	62 Å²	62	94.1 Å²	94.1	38%	0.376	56%	0.563	S	S	.	*			trans	-68	125.5	171.1	172.4	0	0	0	0	108.7	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.27Å; V21-F46 HydrophobicContact CG1-CD1 3.79Å; V21-F46 HydrophobicContact CG1-CE1 3.97Å; V21-F46 HydrophobicContact CG2-CB 4.47Å; V21-F46 HydrophobicContact CG2-CD1 4.27Å
22	K	96.5	Very high	82.9	Confident	66 Å²	66	97 Å²	97	29%	0.287	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	136.6	176.6	-61.3	178.8	-175.8	175.8	0	110.8	E20 A43 S44	E20-K22 PolarHBondContact O-N 2.94Å; E20-K22 WeakPolarHBondContact OE2-CE 3.13Å; K22-A43 CarbonylContact O-C 3.6Å; K22-A43 WeakPolarHBondContact O-CA 3.29Å; K22-S44 PolarHBondContact N-O 2.77Å; K22-S44 PolarHBondContact O-N 2.91Å
23	L	98.3	Very high	84.4	Confident	48 Å²	48	97.4 Å²	97.4	25%	0.251	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.8	122.1	173.7	-65.9	-177.5	0	0	0	106.1	A42 A43 F46 M53 C117	L23-A42 WeakPolarHBondContact CA-O 3.48Å; L23-A43 HydrophobicContact CD2-CB 3.72Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 4.16Å; L23-M53 HydrophobicContact CD2-CE 4.03Å; L23-C117 WeakPolarHBondContact CD1-O 3.49Å
24	V	98.3	Very high	86.2	Confident	86 Å²	86	94 Å²	94	52%	0.521	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.3	104.7	-173.5	-176.3	0	0	0	0	109.6	C41 A42	V24-C41 WeakPolarHBondContact O-CA 3.42Å; V24-A42 PolarHBondContact N-O 2.89Å; V24-A42 PolarHBondContact O-N 2.8Å
25	E	98.6	Very high	87.9	Confident	69 Å²	69	88.1 Å²	88.1	32%	0.322	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.6	-179.7	-60.3	83.5	174.3	0	0	113.1	S40 C41 W55 Y116 C117	E25-S40 CarbonylContact C-O 3.48Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.23Å; E25-C41 HydrophobicContact CG-CB 4.36Å; E25-W55 HydrophobicContact CG-CH2 4.25Å; E25-W55 HydrophobicContact CG-CZ3 3.99Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.23Å; E25-C117 PolarHBondContact OE1-N 2.83Å; E25-C117 PolarHBondContact OE1-SG 2.87Å
26	S	98.3	Very high	89.7	Confident	62 Å²	62	84.5 Å²	84.5	43%	0.434	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	173.4	179.5	61.6	0	0	0	0	111.8	L39 S40	S26-L39 CarbonylContact O-C 3.56Å; S26-L39 VanDerWaalsContact O-CA 3.28Å; S26-L39 WeakPolarHBondContact O-CA 3.3Å; S26-S40 PolarHBondContact N-O 2.91Å; S26-S40 PolarHBondContact O-N 2.85Å; S26-S40 PolarHBondContact OG-OG 2.82Å
27	G	95	Very high	91.3	Very high	36 Å²	36	83.2 Å²	83.2	37%	0.371	51%	0.509	S	S	.	.			trans	91.2	3.3	178.4	0	0	0	0	0	115.4	L37 S38 L39	G27-L37 WeakPolarHBondContact O-CD1 3.35Å; G27-L37 WeakPolarHBondContact O-CD2 3.5Å; G27-L37 WeakPolarHBondContact O-CG 3.32Å; G27-S38 CarbonylContact C-O 3.56Å; G27-S38 WeakPolarHBondContact CA-O 3.34Å; G27-S38 VanDerWaalsContact O-O 3.09Å; G27-L39 VanDerWaalsContact C-CD2 3.47Å
28	G	91.2	Very high	92.8	Very high	61 Å²	61	78.6 Å²	78.6	63%	0.629	49%	0.49	S	S	*	.			trans	-60.5	171	172.9	0	0	0	0	0	113.4
29	G	93.8	Very high	94.7	Very high	58 Å²	58	72.7 Å²	72.7	60%	0.598	46%	0.463	S	S	*	.			trans	163.3	169.9	177.6	0	0	0	0	0	112.4
30	L	94	Very high	95.8	Very high	177 Å²	177	68.9 Å²	68.9	93%	0.927	44%	0.437	S	S	*	.			trans	-87.6	124.5	171.6	-174.8	65.9	0	0	0	109
31	V	94.3	Very high	96.2	Very high	56 Å²	56	63.2 Å²	63.2	34%	0.339	41%	0.411	S	S	.	.			trans	-131.2	152.5	175.4	-62.8	0	0	0	0	109.7	L37 L107	V31-L37 HydrophobicContact CG1-CB 4.44Å; V31-L37 HydrophobicContact CG1-CD1 4.04Å; V31-L107 HydrophobicContact CG2-CD1 3.46Å; V31-L107 VanDerWaalsContact CG2-CD1 3.46Å
32	Q	92.6	Very high	96.4	Very high	164 Å²	164	62.4 Å²	62.4	77%	0.766	41%	0.411	S	S	*	.			trans	-71.5	149.8	175.5	-66.1	-178.1	-1.8	0	0	110.6	G35	Q32-G35 PolarHBondContact O-N 3.27Å
33	P	93.8	Very high	96.5	Very high	108 Å²	108	59.7 Å²	59.7	70%	0.701	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	141.7	170.5	-26.1	34.8	0	0	0	111.9	G35	P33-G35 PolarHBondContact O-N 3.14Å
34	G	96.2	Very high	96.4	Very high	55 Å²	55	60.1 Å²	60.1	57%	0.567	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-13.5	-173.2	0	0	0	0	0	114.4	L107	G34-L107 PolarHBondContact N-O 3.21Å
35	G	96.8	Very high	96.2	Very high	27 Å²	27	58 Å²	58	28%	0.278	40%	0.404	S	S	.	.			trans	-70.5	-175.8	176.7	0	0	0	0	0	114.2	Q32 P33 A106 L107	Q32-G35 PolarHBondContact O-N 3.27Å; P33-G35 PolarHBondContact O-N 3.14Å; G35-A106 PolarHBondContact O-N 3.47Å; G35-L107 WeakPolarHBondContact O-CB 3.41Å; G35-L107 PolarHBondContact O-N 3.31Å
36	S	96.9	Very high	96	Very high	62 Å²	62	56.5 Å²	56.5	43%	0.434	40%	0.396	S	S	.	.			trans	-129.4	151.9	177.4	-64.4	0	0	0	0	111	M104 N105	S36-M104 CarbonylContact C-O 3.49Å; S36-M104 WeakPolarHBondContact CA-O 3.35Å; S36-M104 VanDerWaalsContact CB-O 3.27Å; S36-M104 WeakPolarHBondContact CB-O 3.03Å; S36-N105 PolarHBondContact OG-OD1 2.78Å
37	L	97	Very high	95.9	Very high	37 Å²	37	57.3 Å²	57.3	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.3	175.4	-170.7	71.2	0	0	0	108.7	G27 V31 L39 M104 L107	G27-L37 WeakPolarHBondContact O-CD1 3.35Å; G27-L37 WeakPolarHBondContact O-CD2 3.5Å; G27-L37 WeakPolarHBondContact O-CG 3.32Å; V31-L37 HydrophobicContact CG1-CB 4.44Å; V31-L37 HydrophobicContact CG1-CD1 4.04Å; L37-L39 HydrophobicContact CD2-CD2 3.98Å; L37-L39 HydrophobicContact CG-CD2 4.44Å; L37-M104 HydrophobicContact CB-CE 3.88Å; L37-M104 HydrophobicContact CD2-CE 3.81Å; L37-M104 HydrophobicContact CG-CE 4.17Å; L37-M104 PolarHBondContact N-O 3.04Å; L37-M104 WeakPolarHBondContact O-CB 3.39Å; L37-M104 PolarHBondContact O-N 3.09Å; L37-L107 HydrophobicContact CB-CD1 3.81Å
38	S	98	Very high	96	Very high	53 Å²	53	55.8 Å²	55.8	37%	0.371	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.8	172.7	-175.2	0	0	0	0	109.7	G27 L102	G27-S38 CarbonylContact C-O 3.56Å; G27-S38 WeakPolarHBondContact CA-O 3.34Å; G27-S38 VanDerWaalsContact O-O 3.09Å; S38-L102 WeakPolarHBondContact CA-O 3.29Å
39	L	98.7	Very high	96.3	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	153.5	167.4	-49	-177.3	0	0	0	110.1	S26 G27 L37 W55 Y101 L102 M104 Y115	S26-L39 CarbonylContact O-C 3.56Å; S26-L39 VanDerWaalsContact O-CA 3.28Å; S26-L39 WeakPolarHBondContact O-CA 3.3Å; G27-L39 VanDerWaalsContact C-CD2 3.47Å; L37-L39 HydrophobicContact CD2-CD2 3.98Å; L37-L39 HydrophobicContact CG-CD2 4.44Å; L39-W55 HydrophobicContact CB-CH2 3.83Å; L39-W55 HydrophobicContact CB-CZ2 4.23Å; L39-W55 HydrophobicContact CB-CZ3 4.35Å; L39-W55 HydrophobicContact CD1-CZ3 4.27Å; L39-Y101 WeakPolarHBondContact O-CA 3.28Å; L39-L102 HydrophobicContact CB-CB 4.21Å; L39-L102 HydrophobicContact CD1-CD2 4.16Å; L39-L102 PolarHBondContact N-O 2.93Å; L39-L102 PolarHBondContact O-N 2.83Å; L39-M104 HydrophobicContact CD1-CE 3.93Å; L39-M104 HydrophobicContact CD1-SD 4.34Å; L39-M104 HydrophobicContact CD2-CE 3.98Å; L39-M104 HydrophobicContact CG-CE 3.67Å; L39-Y115 VanDerWaalsContact CD1-CB 3.47Å; L39-Y115 HydrophobicContact CD1-CD1 3.75Å; L39-Y115 HydrophobicContact CD1-CD2 3.98Å; L39-Y115 HydrophobicContact CD1-CE1 4.48Å; L39-Y115 HydrophobicContact CD1-CG 3.46Å; L39-Y115 VanDerWaalsContact CD1-CG 3.46Å
40	S	98.7	Very high	96.5	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.203	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.4	169.3	47.4	0	0	0	0	110.7	E25 S26 L100	E25-S40 CarbonylContact C-O 3.48Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.23Å; S26-S40 PolarHBondContact N-O 2.91Å; S26-S40 PolarHBondContact O-N 2.85Å; S26-S40 PolarHBondContact OG-OG 2.82Å; S40-L100 CarbonylContact C-O 3.58Å; S40-L100 VanDerWaalsContact CA-O 3.27Å; S40-L100 WeakPolarHBondContact CA-O 3.47Å
41	C	98.8	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	111.6	173.9	156.8	0	0	0	0	108.9	V24 E25 W55 I99 L100 C117	V24-C41 WeakPolarHBondContact O-CA 3.42Å; E25-C41 HydrophobicContact CG-CB 4.36Å; C41-W55 HydrophobicContact CB-CH2 3.75Å; C41-W55 HydrophobicContact CB-CZ2 3.89Å; C41-I99 WeakPolarHBondContact O-CA 3.47Å; C41-L100 HydrophobicContact CB-CB 4.19Å; C41-L100 PolarHBondContact N-O 3.47Å; C41-L100 PolarHBondContact O-N 2.91Å; C41-C117 HydrophobicContact CB-CB 3.42Å; C41-C117 VanDerWaalsContact CB-CB 3.42Å; C41-C117 WeakPolarHBondContact CB-SG 3.36Å; C41-C117 WeakPolarHBondContact SG-CB 3.5Å; C41-C117 CovalentContact SG-SG 2Å; C41-C117 PolarHBondContact SG-SG 3.05Å
42	A	98.5	Very high	96.8	Very high	45 Å²	45	52.3 Å²	52.3	37%	0.372	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.8	174	0	0	0	0	0	109.7	L23 V24	L23-A42 WeakPolarHBondContact CA-O 3.48Å; V24-A42 PolarHBondContact N-O 2.89Å; V24-A42 PolarHBondContact O-N 2.8Å
43	A	98.2	Very high	97.1	Very high	10 Å²	10	44.5 Å²	44.5	8%	0.083	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.2	-176.9	0	0	0	0	0	111.5	K22 L23 F46 F48 S98	K22-A43 CarbonylContact O-C 3.6Å; K22-A43 WeakPolarHBondContact O-CA 3.29Å; L23-A43 HydrophobicContact CD2-CB 3.72Å; A43-F46 HydrophobicContact CB-CE1 3.85Å; A43-F46 HydrophobicContact CB-CZ 3.74Å; A43-F48 HydrophobicContact CB-CD2 3.54Å; A43-F48 HydrophobicContact CB-CE2 3.97Å; A43-F48 HydrophobicContact CB-CG 4.48Å; A43-S98 PolarHBondContact N-O 3.06Å; A43-S98 VanDerWaalsContact O-CB 3.29Å; A43-S98 WeakPolarHBondContact O-CB 3.37Å
44	S	96.5	Very high	97.4	Very high	57 Å²	57	39.8 Å²	39.8	40%	0.399	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	167.7	175.6	59.3	0	0	0	0	111.7	V21 K22 F46	V21-S44 WeakPolarHBondContact CA-O 3.27Å; K22-S44 PolarHBondContact N-O 2.77Å; K22-S44 PolarHBondContact O-N 2.91Å; S44-F46 VanDerWaalsContact C-N 3.35Å; S44-F46 WeakPolarHBondContact O-CD1 3.28Å
45	G	94.5	Very high	97.5	Very high	42 Å²	42	37.2 Å²	37.2	43%	0.433	23%	0.233	S	C	.	.	S	Bend	trans	81.8	9	-177.6	0	0	0	0	0	114.8
46	F	94.6	Very high	97.6	Very high	36 Å²	36	37.1 Å²	37.1	16%	0.158	23%	0.228	C	C	.	.	S	Bend	trans	-158.1	165.8	173	66.5	-80	0	0	0	111.2	V21 L23 A43 S44 F48 Y51 M53 R119	V21-F46 HydrophobicContact CG1-CD1 3.79Å; V21-F46 HydrophobicContact CG1-CE1 3.97Å; V21-F46 HydrophobicContact CG2-CB 4.47Å; V21-F46 HydrophobicContact CG2-CD1 4.27Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 4.16Å; A43-F46 HydrophobicContact CB-CE1 3.85Å; A43-F46 HydrophobicContact CB-CZ 3.74Å; S44-F46 VanDerWaalsContact C-N 3.35Å; S44-F46 WeakPolarHBondContact O-CD1 3.28Å; F46-F48 HydrophobicContact CE2-CB 4.32Å; F46-F48 HydrophobicContact CE2-CD2 4.28Å; F46-F48 HydrophobicContact CZ-CD2 4.2Å; F46-F48 PolarHBondContact O-N 3.35Å; F46-Y51 HydrophobicContact CB-CE2 4.41Å; F46-Y51 AromaticContact CD2-CD2 3.48Å; F46-Y51 HydrophobicContact CD2-CD2 3.48Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.48Å; F46-Y51 AromaticContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CG 4.23Å; F46-Y51 AromaticContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CG 4.3Å; F46-M53 HydrophobicContact CE2-SD 4.18Å; F46-M53 HydrophobicContact CZ-CE 4.32Å; F46-M53 HydrophobicContact CZ-SD 4.07Å; F46-R119 HydrophobicContact CD2-CG 4.37Å; F46-R119 HydrophobicContact CE2-CG 3.83Å; F46-R119 VanDerWaalsContact CG-NH1 3.31Å; F46-R119 HydrophobicContact CZ-CB 4.36Å; F46-R119 HydrophobicContact CZ-CG 4.14Å
47	T	95.8	Very high	97.6	Very high	79 Å²	79	34.8 Å²	34.8	49%	0.485	21%	0.209	S	C	.	.			trans	-74.6	88	175.5	-48.3	0	0	0	0	110.5	T49 D50 Y51	T47-T49 WeakPolarHBondContact CG2-OG1 3.45Å; T47-T49 PolarHBondContact O-N 2.83Å; T47-D50 VanDerWaalsContact CB-OD2 3.32Å; T47-D50 WeakPolarHBondContact CB-OD2 3.29Å; T47-D50 HydrophobicContact CG2-CB 4.38Å; T47-D50 VanDerWaalsContact CG2-CG 3.47Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.24Å; T47-D50 PolarHBondContact O-N 2.93Å; T47-Y51 WeakPolarHBondContact O-CD2 3.48Å
48	F	97.4	Very high	97.7	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-49.7	-35.7	-176.2	178	-102	0	0	0	113.9	A43 F46 D50 Y51 M53 R93 N95 L100	A43-F48 HydrophobicContact CB-CD2 3.54Å; A43-F48 HydrophobicContact CB-CE2 3.97Å; A43-F48 HydrophobicContact CB-CG 4.48Å; F46-F48 HydrophobicContact CE2-CB 4.32Å; F46-F48 HydrophobicContact CE2-CD2 4.28Å; F46-F48 HydrophobicContact CZ-CD2 4.2Å; F46-F48 PolarHBondContact O-N 3.35Å; F48-D50 PolarHBondContact O-N 2.75Å; F48-Y51 PolarHBondContact O-N 2.77Å; F48-M53 HydrophobicContact CD2-CE 4.5Å; F48-M53 HydrophobicContact CD2-CG 4.14Å; F48-M53 HydrophobicContact CD2-SD 4.1Å; F48-M53 HydrophobicContact CE2-CE 4.1Å; F48-M53 HydrophobicContact CE2-CG 3.55Å; F48-M53 HydrophobicContact CE2-SD 3.96Å; F48-M53 HydrophobicContact CZ-CG 4.08Å; F48-R93 HydrophobicContact CE1-CB 4.23Å; F48-R93 HydrophobicContact CZ-CB 4.13Å; F48-R93 PolarHBondContact O-NH2 2.87Å; F48-N95 WeakPolarHBondContact CE1-OD1 3.21Å; F48-L100 HydrophobicContact CZ-CB 4.45Å
49	T	97.7	Very high	97.7	Very high	53 Å²	53	35 Å²	35	33%	0.325	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.7	-24.2	-179.6	56.8	0	0	0	0	114.3	T47 N72 N95	T47-T49 WeakPolarHBondContact CG2-OG1 3.45Å; T47-T49 PolarHBondContact O-N 2.83Å; T49-N72 WeakPolarHBondContact O-CB 3.02Å; T49-N95 HydrophobicContact CG2-CB 3.8Å
50	D	96.7	Very high	97.6	Very high	95 Å²	95	39.8 Å²	39.8	51%	0.508	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-89	-19.6	-170.5	-61.7	-9.8	0	0	0	111.9	T47 F48 N72	T47-D50 VanDerWaalsContact CB-OD2 3.32Å; T47-D50 WeakPolarHBondContact CB-OD2 3.29Å; T47-D50 HydrophobicContact CG2-CB 4.38Å; T47-D50 VanDerWaalsContact CG2-CG 3.47Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.24Å; T47-D50 PolarHBondContact O-N 2.93Å; F48-D50 PolarHBondContact O-N 2.75Å; D50-N72 PolarHBondContact O-ND2 3.28Å
51	Y	97.9	Very high	97.5	Very high	81 Å²	81	42.9 Å²	42.9	32%	0.318	27%	0.273	S	S	.	.	S	Bend	trans	-102.8	157.6	-173.5	-67.7	-91.3	0	0	0	113.4	F46 T47 F48 R93 R119 Y120	F46-Y51 HydrophobicContact CB-CE2 4.41Å; F46-Y51 AromaticContact CD2-CD2 3.48Å; F46-Y51 HydrophobicContact CD2-CD2 3.48Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.48Å; F46-Y51 AromaticContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CG 4.23Å; F46-Y51 AromaticContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CG 4.3Å; T47-Y51 WeakPolarHBondContact O-CD2 3.48Å; F48-Y51 PolarHBondContact O-N 2.77Å; Y51-R93 PolarHBondContact O-NH1 2.9Å; Y51-R119 HydrophobicContact CD1-CG 3.49Å; Y51-R119 VanDerWaalsContact CD1-CG 3.49Å; Y51-R119 HydrophobicContact CD2-CG 4.28Å; Y51-R119 HydrophobicContact CE1-CG 4.25Å; Y51-R119 VanDerWaalsContact CG-CD 3.47Å; Y51-R119 HydrophobicContact CG-CG 3.49Å; Y51-R119 VanDerWaalsContact CG-CG 3.49Å; Y51-Y120 WeakPolarHBondContact CD1-O 3.32Å
52	Y	98.5	Very high	97.4	Very high	50 Å²	50	49.9 Å²	49.9	20%	0.196	30%	0.303	C	S	.	.			trans	-84.1	148.7	165	-59.1	-4.4	0	0	0	108	I70 R71 N72 N75 Y120	Y52-I70 WeakPolarHBondContact CA-O 3.34Å; Y52-R71 HydrophobicContact CD1-CB 3.86Å; Y52-R71 HydrophobicContact CD1-CG 4.24Å; Y52-R71 HydrophobicContact CD2-CG 4.07Å; Y52-R71 HydrophobicContact CE1-CB 3.75Å; Y52-R71 HydrophobicContact CE1-CG 4.1Å; Y52-R71 HydrophobicContact CE2-CB 4.49Å; Y52-R71 HydrophobicContact CE2-CG 3.93Å; Y52-R71 HydrophobicContact CG-CB 4.29Å; Y52-R71 HydrophobicContact CG-CG 4.24Å; Y52-N72 HydrophobicContact CD1-CB 4.15Å; Y52-N72 VanDerWaalsContact CD1-N 3.28Å; Y52-N72 HydrophobicContact CE1-CB 4.21Å; Y52-N75 HydrophobicContact CE1-CB 4.32Å; Y52-N75 PolarHBondContact OH-ND2 3.24Å; Y52-N75 PolarHBondContact OH-OD1 2.84Å; Y52-N75 VanDerWaalsContact OH-OD1 3.11Å; Y52-Y120 HydrophobicContact CD2-CD1 4.12Å; Y52-Y120 PolarHBondContact N-O 2.76Å; Y52-Y120 VanDerWaalsContact N-O 3.09Å; Y52-Y120 PolarHBondContact O-N 3.03Å
53	M	98.7	Very high	97.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.2	-175	-64.4	-57.9	-55.3	0	0	108.9	L23 F46 F48 F69 I70 L100 A118 R119	L23-M53 HydrophobicContact CD2-CE 4.03Å; F46-M53 HydrophobicContact CE2-SD 4.18Å; F46-M53 HydrophobicContact CZ-CE 4.32Å; F46-M53 HydrophobicContact CZ-SD 4.07Å; F48-M53 HydrophobicContact CD2-CE 4.5Å; F48-M53 HydrophobicContact CD2-CG 4.14Å; F48-M53 HydrophobicContact CD2-SD 4.1Å; F48-M53 HydrophobicContact CE2-CE 4.1Å; F48-M53 HydrophobicContact CE2-CG 3.55Å; F48-M53 HydrophobicContact CE2-SD 3.96Å; F48-M53 HydrophobicContact CZ-CG 4.08Å; M53-F69 CarbonylContact O-C 3.59Å; M53-F69 WeakPolarHBondContact O-CA 3.4Å; M53-F69 WeakPolarHBondContact O-CB 3.46Å; M53-I70 HydrophobicContact CB-CG2 4.3Å; M53-I70 PolarHBondContact N-O 3.18Å; M53-I70 VanDerWaalsContact N-O 3.09Å; M53-I70 PolarHBondContact O-N 3.01Å; M53-L100 HydrophobicContact CB-CD1 3.56Å; M53-L100 HydrophobicContact CB-CD2 3.85Å; M53-L100 HydrophobicContact CB-CG 4.2Å; M53-A118 WeakPolarHBondContact CA-O 3.14Å; M53-R119 HydrophobicContact CE-CB 4.41Å; M53-R119 HydrophobicContact SD-CB 4.09Å; M53-R119 HydrophobicContact SD-CG 4.1Å
54	S	98.7	Very high	97.4	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.07	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.8	-174.3	-57.9	0	0	0	0	111.4	G68 F69 C117 A118	S54-G68 CarbonylContact C-O 3.46Å; S54-G68 VanDerWaalsContact CA-O 3.26Å; S54-G68 WeakPolarHBondContact CA-O 3.44Å; S54-F69 VanDerWaalsContact OG-CB 3.26Å; S54-F69 WeakPolarHBondContact OG-CB 3.34Å; S54-C117 CarbonylContact O-C 3.59Å; S54-C117 VanDerWaalsContact O-CA 3.25Å; S54-C117 WeakPolarHBondContact O-CA 3.35Å; S54-A118 PolarHBondContact N-O 3.11Å; S54-A118 PolarHBondContact O-N 2.97Å
55	W	98.8	Very high	97.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.2	162.8	-76.7	98.4	0	0	0	110.1	E25 L39 C41 L67 G68 L100 Y101 L102 C117	E25-W55 HydrophobicContact CG-CH2 4.25Å; E25-W55 HydrophobicContact CG-CZ3 3.99Å; L39-W55 HydrophobicContact CB-CH2 3.83Å; L39-W55 HydrophobicContact CB-CZ2 4.23Å; L39-W55 HydrophobicContact CB-CZ3 4.35Å; L39-W55 HydrophobicContact CD1-CZ3 4.27Å; C41-W55 HydrophobicContact CB-CH2 3.75Å; C41-W55 HydrophobicContact CB-CZ2 3.89Å; W55-L67 HydrophobicContact CB-CB 4.4Å; W55-L67 WeakPolarHBondContact O-CB 3.49Å; W55-L67 PolarHBondContact O-N 3.4Å; W55-G68 PolarHBondContact N-O 3.41Å; W55-L100 HydrophobicContact CD2-CD2 4.26Å; W55-L100 HydrophobicContact CG-CD2 4.26Å; W55-L100 HydrophobicContact CZ2-CD2 4.22Å; W55-L100 HydrophobicContact CZ2-CG 4.37Å; W55-Y101 PolarHBondContact NE1-O 3.21Å; W55-L102 HydrophobicContact CB-CD2 4.41Å; W55-L102 HydrophobicContact CD2-CB 4Å; W55-L102 HydrophobicContact CD2-CD2 4.15Å; W55-L102 HydrophobicContact CE3-CD2 4.48Å; W55-L102 HydrophobicContact CG-CB 4.18Å; W55-L102 HydrophobicContact CG-CD1 4.23Å; W55-L102 HydrophobicContact CG-CD2 4.12Å; W55-L102 HydrophobicContact CG-CG 4.42Å; W55-L102 HydrophobicContact CZ2-CB 4.02Å; W55-C117 HydrophobicContact CD2-CB 4.48Å; W55-C117 HydrophobicContact CE3-CB 4.3Å; W55-C117 HydrophobicContact CH2-CB 4.37Å; W55-C117 HydrophobicContact CZ3-CB 4.24Å
56	V	98.6	Very high	97.6	Very high	26 Å²	26	59.3 Å²	59.3	16%	0.158	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.8	176.3	-176.8	0	0	0	0	107.1	L64 E65 Y115 Y116	V56-L64 HydrophobicContact CG1-CB 3.85Å; V56-L64 HydrophobicContact CG1-CD2 3.72Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-E65 WeakPolarHBondContact CA-O 3.27Å; V56-E65 WeakPolarHBondContact CG1-O 3.26Å; V56-Y115 WeakPolarHBondContact O-CA 3.37Å; V56-Y116 PolarHBondContact N-O 3.35Å; V56-Y116 PolarHBondContact O-N 3.3Å; V56-Y116 VanDerWaalsContact O-O 3.1Å
57	R	98	Very high	97.8	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.045	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.9	171.4	70.8	175.6	-179.6	-165.6	2.8	112	L64 E65 L67 D111 A113 T114 Y115	R57-L64 CarbonylContact O-C 3.54Å; R57-L64 WeakPolarHBondContact O-CA 3.43Å; R57-E65 HydrophobicContact CG-CB 4.09Å; R57-E65 IonicContact CZ-OE2 3.48Å; R57-E65 PolarHBondContact N-O 3.3Å; R57-E65 IonicContact NE-OE2 3.77Å; R57-E65 PolarHBondContact NE-OE2 3.42Å; R57-E65 IonicContact NH2-OE1 2.69Å; R57-E65 PolarHBondContact NH2-OE1 2.95Å; R57-E65 IonicContact NH2-OE2 3.38Å; R57-E65 PolarHBondContact NH2-OE2 3.3Å; R57-E65 PolarHBondContact O-N 3.02Å; R57-L67 HydrophobicContact CB-CD1 4.04Å; R57-L67 HydrophobicContact CB-CG 4.45Å; R57-L67 HydrophobicContact CG-CD1 4.04Å; R57-L67 HydrophobicContact CG-CD2 3.85Å; R57-L67 HydrophobicContact CG-CG 4.09Å; R57-D111 IonicContact CZ-OD1 3.35Å; R57-D111 IonicContact NH1-OD1 2.75Å; R57-D111 PolarHBondContact NH1-OD1 3.06Å; R57-A113 HydrophobicContact CB-CB 3.82Å; R57-A113 HydrophobicContact CG-CB 4.2Å; R57-T114 CarbonylContact C-O 3.51Å; R57-T114 VanDerWaalsContact CA-O 3.24Å; R57-T114 WeakPolarHBondContact CA-O 3.26Å; R57-Y115 HydrophobicContact CB-CD1 3.95Å; R57-Y115 HydrophobicContact CB-CD2 4.44Å; R57-Y115 HydrophobicContact CB-CE1 3.9Å; R57-Y115 HydrophobicContact CB-CE2 4.37Å; R57-Y115 HydrophobicContact CB-CG 4.21Å
58	Q	98.2	Very high	98	Very high	79 Å²	79	53.9 Å²	53.9	37%	0.369	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	99.9	172.3	-165.6	174.4	14.7	0	0	109.6	L64 A113 T114 Y116	Q58-L64 HydrophobicContact CB-CD2 3.76Å; Q58-L64 HydrophobicContact CG-CD2 4.19Å; Q58-A113 WeakPolarHBondContact O-CB 3.33Å; Q58-T114 PolarHBondContact N-O 3.07Å; Q58-T114 PolarHBondContact O-N 2.67Å; Q58-Y116 HydrophobicContact CB-CE2 3.99Å
59	P	97.4	Very high	98	Very high	16 Å²	16	55 Å²	55	10%	0.104	31%	0.307	C	S	.	.			trans	-64.9	149.6	170.5	-17.3	30.5	0	0	0	110.7	G61 K62 A113	P59-G61 PolarHBondContact O-N 3.06Å; P59-K62 HydrophobicContact CB-CB 4.03Å; P59-K62 HydrophobicContact CB-CD 4Å; P59-K62 HydrophobicContact CB-CG 4.21Å; P59-K62 HydrophobicContact CG-CB 4.29Å; P59-K62 HydrophobicContact CG-CD 4.34Å; P59-K62 PolarHBondContact O-N 3.43Å; P59-A113 HydrophobicContact CB-CB 4.45Å; P59-A113 HydrophobicContact CG-CB 4.32Å
60	P	96.9	Very high	98.1	Very high	111 Å²	111	52.9 Å²	52.9	72%	0.721	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	126.8	178.9	-25.3	34	0	0	0	112	K62	P60-K62 PolarHBondContact O-N 3.17Å
61	G	97.5	Very high	98.2	Very high	94 Å²	94	50.7 Å²	50.7	97%	0.969	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	11.4	179.8	0	0	0	0	0	115.3	P59	P59-G61 PolarHBondContact O-N 3.06Å
62	K	97.1	Very high	98.2	Very high	147 Å²	147	47.8 Å²	47.8	64%	0.639	27%	0.269	S	S	*	.	S	Bend	trans	-118.7	166.5	178.3	-59.7	-169.1	-176.5	176.4	0	112	P59 P60	P59-K62 HydrophobicContact CB-CB 4.03Å; P59-K62 HydrophobicContact CB-CD 4Å; P59-K62 HydrophobicContact CB-CG 4.21Å; P59-K62 HydrophobicContact CG-CB 4.29Å; P59-K62 HydrophobicContact CG-CD 4.34Å; P59-K62 PolarHBondContact O-N 3.43Å; P60-K62 PolarHBondContact O-N 3.17Å
63	A	97.6	Very high	98.1	Very high	82 Å²	82	52.6 Å²	52.6	68%	0.678	29%	0.291	S	S	*	.			trans	-68.9	166.3	172.5	0	0	0	0	0	111.8
64	L	98	Very high	98	Very high	110 Å²	110	56.8 Å²	56.8	58%	0.576	33%	0.326	S	S	*	.			trans	-64.4	137.8	171.4	-70.3	166	0	0	0	110.7	V56 R57 Q58 Y116	V56-L64 HydrophobicContact CG1-CB 3.85Å; V56-L64 HydrophobicContact CG1-CD2 3.72Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; R57-L64 CarbonylContact O-C 3.54Å; R57-L64 WeakPolarHBondContact O-CA 3.43Å; Q58-L64 HydrophobicContact CB-CD2 3.76Å; Q58-L64 HydrophobicContact CG-CD2 4.19Å; L64-Y116 HydrophobicContact CD2-CD2 4.2Å; L64-Y116 HydrophobicContact CD2-CE2 4.37Å
65	E	98.3	Very high	97.9	Very high	59 Å²	59	59.8 Å²	59.8	28%	0.276	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.7	176.1	-175.9	-172	173.5	0	0	109.2	V56 R57 L67 S84	V56-E65 WeakPolarHBondContact CA-O 3.27Å; V56-E65 WeakPolarHBondContact CG1-O 3.26Å; R57-E65 HydrophobicContact CG-CB 4.09Å; R57-E65 IonicContact CZ-OE2 3.48Å; R57-E65 PolarHBondContact N-O 3.3Å; R57-E65 IonicContact NE-OE2 3.77Å; R57-E65 PolarHBondContact NE-OE2 3.42Å; R57-E65 IonicContact NH2-OE1 2.69Å; R57-E65 PolarHBondContact NH2-OE1 2.95Å; R57-E65 IonicContact NH2-OE2 3.38Å; R57-E65 PolarHBondContact NH2-OE2 3.3Å; R57-E65 PolarHBondContact O-N 3.02Å; E65-L67 HydrophobicContact CG-CD2 4.29Å; E65-S84 VanDerWaalsContact OE1-CB 3.26Å; E65-S84 WeakPolarHBondContact OE1-CB 3.29Å; E65-S84 PolarHBondContact OE1-OG 2.65Å
66	W	98.4	Very high	97.9	Very high	101 Å²	101	62.3 Å²	62.3	38%	0.383	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.4	171.4	174.9	83.6	0	0	0	110.4	G68 F69 E80 S82	W66-G68 PolarHBondContact NE1-O 2.94Å; W66-F69 HydrophobicContact CH2-CD1 4.46Å; W66-F69 AromaticContact CZ2-CD1 3.47Å; W66-F69 HydrophobicContact CZ2-CD1 3.47Å; W66-F69 VanDerWaalsContact CZ2-CD1 3.47Å; W66-F69 AromaticContact CZ2-CE1 3.96Å; W66-F69 HydrophobicContact CZ2-CE1 3.96Å; W66-F69 HydrophobicContact CZ2-CG 4.4Å; W66-E80 HydrophobicContact CH2-CB 4.21Å; W66-S82 VanDerWaalsContact O-CB 3.26Å; W66-S82 WeakPolarHBondContact O-CB 3.14Å; W66-S82 PolarHBondContact O-OG 3Å
67	L	98.5	Very high	97.9	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-35.8	-176	-62.2	-173.6	0	0	0	113.6	W55 R57 E65 Y81 S82 V85 F89 Y115	W55-L67 HydrophobicContact CB-CB 4.4Å; W55-L67 WeakPolarHBondContact O-CB 3.49Å; W55-L67 PolarHBondContact O-N 3.4Å; R57-L67 HydrophobicContact CB-CD1 4.04Å; R57-L67 HydrophobicContact CB-CG 4.45Å; R57-L67 HydrophobicContact CG-CD1 4.04Å; R57-L67 HydrophobicContact CG-CD2 3.85Å; R57-L67 HydrophobicContact CG-CG 4.09Å; E65-L67 HydrophobicContact CG-CD2 4.29Å; L67-Y81 CarbonylContact O-C 3.58Å; L67-Y81 WeakPolarHBondContact O-CA 3.48Å; L67-S82 PolarHBondContact O-N 3.28Å; L67-S82 PolarHBondContact O-OG 3.18Å; L67-V85 HydrophobicContact CB-CG2 4.22Å; L67-V85 HydrophobicContact CD2-CG1 3.78Å; L67-V85 VanDerWaalsContact O-CG2 3.27Å; L67-V85 WeakPolarHBondContact O-CG2 2.99Å; L67-F89 HydrophobicContact CD1-CE2 4.4Å; L67-Y115 HydrophobicContact CD1-CD1 3.85Å; L67-Y115 HydrophobicContact CD1-CE1 3.41Å; L67-Y115 VanDerWaalsContact CD1-CE1 3.41Å
68	G	98.6	Very high	97.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	167.9	-174.1	0	0	0	0	0	112.1	S54 W55 W66 E80	S54-G68 CarbonylContact C-O 3.46Å; S54-G68 VanDerWaalsContact CA-O 3.26Å; S54-G68 WeakPolarHBondContact CA-O 3.44Å; W55-G68 PolarHBondContact N-O 3.41Å; W66-G68 PolarHBondContact NE1-O 2.94Å; G68-E80 CarbonylContact C-O 3.43Å; G68-E80 WeakPolarHBondContact CA-O 3.38Å
69	F	98.7	Very high	97.9	Very high	27 Å²	27	67.1 Å²	67.1	12%	0.118	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.6	169.8	71.3	-104.4	0	0	0	111.4	M53 S54 W66 R71 T79 E80	M53-F69 CarbonylContact O-C 3.59Å; M53-F69 WeakPolarHBondContact O-CA 3.4Å; M53-F69 WeakPolarHBondContact O-CB 3.46Å; S54-F69 VanDerWaalsContact OG-CB 3.26Å; S54-F69 WeakPolarHBondContact OG-CB 3.34Å; W66-F69 HydrophobicContact CH2-CD1 4.46Å; W66-F69 AromaticContact CZ2-CD1 3.47Å; W66-F69 HydrophobicContact CZ2-CD1 3.47Å; W66-F69 VanDerWaalsContact CZ2-CD1 3.47Å; W66-F69 AromaticContact CZ2-CE1 3.96Å; W66-F69 HydrophobicContact CZ2-CE1 3.96Å; W66-F69 HydrophobicContact CZ2-CG 4.4Å; F69-R71 HydrophobicContact CD2-CG 4.03Å; F69-R71 HydrophobicContact CE2-CG 3.5Å; F69-R71 VanDerWaalsContact CE2-NH1 3.3Å; F69-R71 VanDerWaalsContact CZ-CZ 3.41Å; F69-R71 VanDerWaalsContact CZ-NH2 3.33Å; F69-T79 VanDerWaalsContact O-CA 3.26Å; F69-T79 WeakPolarHBondContact O-CA 2.96Å; F69-E80 HydrophobicContact CD1-CB 4.48Å; F69-E80 HydrophobicContact CE1-CB 3.8Å; F69-E80 HydrophobicContact CE1-CG 4.34Å; F69-E80 HydrophobicContact CE2-CB 4.47Å; F69-E80 HydrophobicContact CZ-CB 3.77Å; F69-E80 HydrophobicContact CZ-CG 3.89Å; F69-E80 PolarHBondContact N-O 3.45Å; F69-E80 PolarHBondContact O-N 2.58Å
70	I	98.8	Very high	97.9	Very high	9 Å²	9	70.7 Å²	70.7	5%	0.046	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.8	167.8	-175.2	160.7	0	0	0	109.9	Y52 M53 T79 I91 R93 L100	Y52-I70 WeakPolarHBondContact CA-O 3.34Å; M53-I70 HydrophobicContact CB-CG2 4.3Å; M53-I70 PolarHBondContact N-O 3.18Å; M53-I70 VanDerWaalsContact N-O 3.09Å; M53-I70 PolarHBondContact O-N 3.01Å; I70-T79 HydrophobicContact CB-CG2 3.93Å; I70-T79 HydrophobicContact CD1-CG2 3.95Å; I70-T79 HydrophobicContact CG1-CG2 3.84Å; I70-I91 HydrophobicContact CB-CG2 3.85Å; I70-I91 HydrophobicContact CG2-CG2 3.61Å; I70-R93 HydrophobicContact CD1-CB 4.47Å; I70-R93 HydrophobicContact CD1-CG 3.82Å; I70-R93 HydrophobicContact CG1-CG 4.33Å; I70-R93 HydrophobicContact CG2-CB 4.28Å; I70-R93 HydrophobicContact CG2-CG 4.35Å; I70-L100 HydrophobicContact CG2-CD1 3.49Å; I70-L100 VanDerWaalsContact CG2-CD1 3.49Å
71	R	98.6	Very high	98	Very high	50 Å²	50	67.9 Å²	67.9	19%	0.189	38%	0.384	C	S	.	.			trans	-74	167.7	178.1	-58.5	-163.7	172.2	68.1	-0.5	112.1	Y52 F69 N75 T78 E80 R93	Y52-R71 HydrophobicContact CD1-CB 3.86Å; Y52-R71 HydrophobicContact CD1-CG 4.24Å; Y52-R71 HydrophobicContact CD2-CG 4.07Å; Y52-R71 HydrophobicContact CE1-CB 3.75Å; Y52-R71 HydrophobicContact CE1-CG 4.1Å; Y52-R71 HydrophobicContact CE2-CB 4.49Å; Y52-R71 HydrophobicContact CE2-CG 3.93Å; Y52-R71 HydrophobicContact CG-CB 4.29Å; Y52-R71 HydrophobicContact CG-CG 4.24Å; F69-R71 HydrophobicContact CD2-CG 4.03Å; F69-R71 HydrophobicContact CE2-CG 3.5Å; F69-R71 VanDerWaalsContact CE2-NH1 3.3Å; F69-R71 VanDerWaalsContact CZ-CZ 3.41Å; F69-R71 VanDerWaalsContact CZ-NH2 3.33Å; R71-N75 HydrophobicContact CB-CB 3.75Å; R71-N75 HydrophobicContact CG-CB 4.28Å; R71-T78 VanDerWaalsContact CD-OG1 3.23Å; R71-T78 WeakPolarHBondContact CD-OG1 3.44Å; R71-T78 WeakPolarHBondContact CG-O 3.38Å; R71-T78 PolarHBondContact N-O 3.17Å; R71-T78 PolarHBondContact NH1-OG1 3.13Å; R71-E80 IonicContact CZ-OE1 3.33Å; R71-E80 IonicContact NH1-OE1 3.07Å; R71-E80 PolarHBondContact NH1-OE1 3.49Å; R71-E80 VanDerWaalsContact NH1-OE1 3.07Å; R71-E80 IonicContact NH2-OE1 2.67Å; R71-E80 PolarHBondContact NH2-OE1 3.24Å; R71-R93 PolarHBondContact O-NH1 3.42Å
72	N	97.9	Very high	98.1	Very high	20 Å²	20	64.2 Å²	64.2	11%	0.107	34%	0.344	C	S	.	.			trans	-71.8	174.2	170.9	68.7	12.8	0	0	0	112.7	T49 D50 Y52 A74 N75 G76 Y77	T49-N72 WeakPolarHBondContact O-CB 3.02Å; D50-N72 PolarHBondContact O-ND2 3.28Å; Y52-N72 HydrophobicContact CD1-CB 4.15Å; Y52-N72 VanDerWaalsContact CD1-N 3.28Å; Y52-N72 HydrophobicContact CE1-CB 4.21Å; N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 3.3Å; N72-A74 PolarHBondContact OD1-N 3.41Å; N72-N75 CarbonylContact O-C 3.51Å; N72-N75 PolarHBondContact O-N 2.91Å; N72-N75 VanDerWaalsContact O-N 3.11Å; N72-N75 PolarHBondContact OD1-N 2.76Å; N72-N75 VanDerWaalsContact OD1-N 3.15Å; N72-N75 PolarHBondContact OD1-ND2 2.8Å; N72-G76 PolarHBondContact O-N 2.81Å; N72-Y77 PolarHBondContact O-N 2.94Å
73	K	96.4	Very high	98.1	Very high	150 Å²	150	62 Å²	62	65%	0.652	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-58.3	-39.9	179.4	-172.8	174.1	179.7	180	0	112	N75 G76 Y77	K73-N75 PolarHBondContact O-N 2.86Å; K73-N75 VanDerWaalsContact O-N 3.16Å; K73-G76 PolarHBondContact O-N 2.9Å; K73-Y77 HydrophobicContact CB-CE1 4.04Å; K73-Y77 HydrophobicContact CB-CE2 3.99Å; K73-Y77 WeakPolarHBondContact CB-OH 3.25Å; K73-Y77 HydrophobicContact CG-CE2 3.75Å; K73-Y77 WeakPolarHBondContact CG-OH 3.41Å
74	A	97.1	Very high	98.1	Very high	89 Å²	89	60 Å²	60	74%	0.736	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-61.1	-24	-179.7	0	0	0	0	0	112.8	N72	N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 3.3Å; N72-A74 PolarHBondContact OD1-N 3.41Å
75	N	97.7	Very high	98.1	Very high	72 Å²	72	54.8 Å²	54.8	39%	0.385	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-111.4	28.3	179	-66.7	-98.1	0	0	0	112	Y52 R71 N72 K73 Y77 T78	Y52-N75 HydrophobicContact CE1-CB 4.32Å; Y52-N75 PolarHBondContact OH-ND2 3.24Å; Y52-N75 PolarHBondContact OH-OD1 2.84Å; Y52-N75 VanDerWaalsContact OH-OD1 3.11Å; R71-N75 HydrophobicContact CB-CB 3.75Å; R71-N75 HydrophobicContact CG-CB 4.28Å; N72-N75 CarbonylContact O-C 3.51Å; N72-N75 PolarHBondContact O-N 2.91Å; N72-N75 VanDerWaalsContact O-N 3.11Å; N72-N75 PolarHBondContact OD1-N 2.76Å; N72-N75 VanDerWaalsContact OD1-N 3.15Å; N72-N75 PolarHBondContact OD1-ND2 2.8Å; K73-N75 PolarHBondContact O-N 2.86Å; K73-N75 VanDerWaalsContact O-N 3.16Å; N75-Y77 VanDerWaalsContact C-N 3.29Å; N75-Y77 PolarHBondContact O-N 2.95Å; N75-T78 PolarHBondContact O-N 2Å; N75-T78 PolarHBondContact O-OG1 3.41Å
76	G	97.6	Very high	98	Very high	54 Å²	54	59.4 Å²	59.4	56%	0.557	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	20.6	168.1	0	0	0	0	0	115.4	N72 K73 T78	N72-G76 PolarHBondContact O-N 2.81Å; K73-G76 PolarHBondContact O-N 2.9Å; G76-T78 PolarHBondContact O-N 2.81Å
77	Y	98	Very high	98	Very high	94 Å²	94	58.4 Å²	58.4	37%	0.369	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	24.9	-177.7	-58.4	-69.8	0	0	0	114.4	N72 K73 N75 R93 N95	N72-Y77 PolarHBondContact O-N 2.94Å; K73-Y77 HydrophobicContact CB-CE1 4.04Å; K73-Y77 HydrophobicContact CB-CE2 3.99Å; K73-Y77 WeakPolarHBondContact CB-OH 3.25Å; K73-Y77 HydrophobicContact CG-CE2 3.75Å; K73-Y77 WeakPolarHBondContact CG-OH 3.41Å; N75-Y77 VanDerWaalsContact C-N 3.29Å; N75-Y77 PolarHBondContact O-N 2.95Å; Y77-R93 HydrophobicContact CD1-CG 4.28Å; Y77-R93 HydrophobicContact CE1-CG 4.34Å; Y77-N95 PolarHBondContact OH-ND2 3.3Å
78	T	98.3	Very high	98	Very high	69 Å²	69	59.6 Å²	59.6	42%	0.423	35%	0.352	S	S	.	.			trans	-63.6	147.1	179.8	55	0	0	0	0	110.8	R71 N75 G76	R71-T78 VanDerWaalsContact CD-OG1 3.23Å; R71-T78 WeakPolarHBondContact CD-OG1 3.44Å; R71-T78 WeakPolarHBondContact CG-O 3.38Å; R71-T78 PolarHBondContact N-O 3.17Å; R71-T78 PolarHBondContact NH1-OG1 3.13Å; N75-T78 PolarHBondContact O-N 2Å; N75-T78 PolarHBondContact O-OG1 3.41Å; G76-T78 PolarHBondContact O-N 2.81Å
79	T	98.6	Very high	98	Very high	54 Å²	54	59.9 Å²	59.9	33%	0.331	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.1	-177.9	56.5	0	0	0	0	111.2	F69 I70 Y81	F69-T79 VanDerWaalsContact O-CA 3.26Å; F69-T79 WeakPolarHBondContact O-CA 2.96Å; I70-T79 HydrophobicContact CB-CG2 3.93Å; I70-T79 HydrophobicContact CD1-CG2 3.95Å; I70-T79 HydrophobicContact CG1-CG2 3.84Å; T79-Y81 VanDerWaalsContact OG1-CE2 3.29Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.48Å
80	E	98.4	Very high	98	Very high	91 Å²	91	62 Å²	62	43%	0.425	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.4	168	-72.9	174.1	-142.1	0	0	109.7	W66 G68 F69 R71	W66-E80 HydrophobicContact CH2-CB 4.21Å; G68-E80 CarbonylContact C-O 3.43Å; G68-E80 WeakPolarHBondContact CA-O 3.38Å; F69-E80 HydrophobicContact CD1-CB 4.48Å; F69-E80 HydrophobicContact CE1-CB 3.8Å; F69-E80 HydrophobicContact CE1-CG 4.34Å; F69-E80 HydrophobicContact CE2-CB 4.47Å; F69-E80 HydrophobicContact CZ-CB 3.77Å; F69-E80 HydrophobicContact CZ-CG 3.89Å; F69-E80 PolarHBondContact N-O 3.45Å; F69-E80 PolarHBondContact O-N 2.58Å; R71-E80 IonicContact CZ-OE1 3.33Å; R71-E80 IonicContact NH1-OE1 3.07Å; R71-E80 PolarHBondContact NH1-OE1 3.49Å; R71-E80 VanDerWaalsContact NH1-OE1 3.07Å; R71-E80 IonicContact NH2-OE1 2.67Å; R71-E80 PolarHBondContact NH2-OE1 3.24Å
81	Y	98.7	Very high	98	Very high	53 Å²	53	61.9 Å²	61.9	21%	0.208	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.3	-174.6	-61.6	-85.4	0	0	0	110.2	L67 T79 V85 I91	L67-Y81 CarbonylContact O-C 3.58Å; L67-Y81 WeakPolarHBondContact O-CA 3.48Å; T79-Y81 VanDerWaalsContact OG1-CE2 3.29Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.48Å; Y81-V85 HydrophobicContact CD1-CG2 4.38Å; Y81-I91 HydrophobicContact CD1-CD1 4.3Å; Y81-I91 HydrophobicContact CE1-CB 4.29Å; Y81-I91 HydrophobicContact CE1-CD1 3.91Å; Y81-I91 HydrophobicContact CE1-CG1 3.84Å; Y81-I91 PolarHBondContact OH-N 2.89Å
82	S	98.2	Very high	98	Very high	17 Å²	17	62.1 Å²	62.1	12%	0.119	38%	0.377	C	S	.	.			trans	-67.5	156.1	168	75.3	0	0	0	0	110.7	W66 L67 S84 V85 K86	W66-S82 VanDerWaalsContact O-CB 3.26Å; W66-S82 WeakPolarHBondContact O-CB 3.14Å; W66-S82 PolarHBondContact O-OG 3Å; L67-S82 PolarHBondContact O-N 3.28Å; L67-S82 PolarHBondContact O-OG 3.18Å; S82-S84 PolarHBondContact O-N 2.78Å; S82-S84 PolarHBondContact OG-OG 2.82Å; S82-V85 PolarHBondContact O-N 2.81Å; S82-K86 WeakPolarHBondContact O-CB 3.26Å; S82-K86 PolarHBondContact O-N 2.89Å
83	A	98.1	Very high	98	Very high	100 Å²	100	62.6 Å²	62.6	83%	0.826	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.7	-179.6	0	0	0	0	0	113	V85	A83-V85 VanDerWaalsContact C-N 3.33Å; A83-V85 PolarHBondContact O-N 3.21Å
84	S	96.6	Very high	98.1	Very high	39 Å²	39	57.8 Å²	57.8	27%	0.273	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27	-176.6	56.7	0	0	0	0	113.4	E65 S82 R88	E65-S84 VanDerWaalsContact OE1-CB 3.26Å; E65-S84 WeakPolarHBondContact OE1-CB 3.29Å; E65-S84 PolarHBondContact OE1-OG 2.65Å; S82-S84 PolarHBondContact O-N 2.78Å; S82-S84 PolarHBondContact OG-OG 2.82Å; S84-R88 PolarHBondContact O-NH2 2.98Å
85	V	98	Very high	98.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-10.3	-175.3	-57.8	0	0	0	0	114.4	L67 Y81 S82 A83 G87 R88 F89	L67-V85 HydrophobicContact CB-CG2 4.22Å; L67-V85 HydrophobicContact CD2-CG1 3.78Å; L67-V85 VanDerWaalsContact O-CG2 3.27Å; L67-V85 WeakPolarHBondContact O-CG2 2.99Å; Y81-V85 HydrophobicContact CD1-CG2 4.38Å; S82-V85 PolarHBondContact O-N 2.81Å; A83-V85 VanDerWaalsContact C-N 3.33Å; A83-V85 PolarHBondContact O-N 3.21Å; V85-G87 PolarHBondContact O-N 2.92Å; V85-R88 PolarHBondContact O-N 3.47Å; V85-F89 HydrophobicContact CB-CB 4.02Å; V85-F89 HydrophobicContact CB-CD1 4.42Å; V85-F89 HydrophobicContact CB-CD2 3.55Å; V85-F89 HydrophobicContact CB-CE2 4.07Å; V85-F89 HydrophobicContact CB-CG 3.74Å; V85-F89 HydrophobicContact CG1-CD2 3.45Å; V85-F89 VanDerWaalsContact CG1-CD2 3.45Å; V85-F89 HydrophobicContact CG1-CE2 3.46Å; V85-F89 VanDerWaalsContact CG1-CE2 3.46Å; V85-F89 HydrophobicContact CG1-CG 4.1Å; V85-F89 HydrophobicContact CG1-CZ 4.1Å; V85-F89 HydrophobicContact CG2-CB 4.38Å; V85-F89 HydrophobicContact CG2-CD2 4.22Å; V85-F89 PolarHBondContact O-N 2.81Å
86	K	97.9	Very high	98.1	Very high	156 Å²	156	57 Å²	57	68%	0.678	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	129.2	179.6	-172.3	171.7	-175.9	175.7	0	111.1	S82 R88	S82-K86 WeakPolarHBondContact O-CB 3.26Å; S82-K86 PolarHBondContact O-N 2.89Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 2.97Å
87	G	97.8	Very high	98.1	Very high	81 Å²	81	59.8 Å²	59.8	84%	0.835	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-3.9	-178.5	0	0	0	0	0	115.1	V85	V85-G87 PolarHBondContact O-N 2.92Å
88	R	97.7	Very high	98.1	Very high	26 Å²	26	56.8 Å²	56.8	10%	0.098	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-40.4	176.8	-60.5	-170.5	-57.2	110.7	-2.1	112.2	S84 V85 K86 N105 A106 D111	S84-R88 PolarHBondContact O-NH2 2.98Å; V85-R88 PolarHBondContact O-N 3.47Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 2.97Å; R88-N105 WeakPolarHBondContact O-CB 3.48Å; R88-N105 PolarHBondContact O-N 2.97Å; R88-N105 VanDerWaalsContact O-N 3.09Å; R88-A106 PolarHBondContact NH1-O 3.22Å; R88-D111 IonicContact CZ-OD1 2.82Å; R88-D111 IonicContact CZ-OD2 2.91Å; R88-D111 IonicContact NH1-OD1 2.77Å; R88-D111 IonicContact NH1-OD2 3.96Å; R88-D111 PolarHBondContact NH1-OD2 3.16Å; R88-D111 IonicContact NH2-OD1 3.18Å; R88-D111 PolarHBondContact NH2-OD1 3.44Å; R88-D111 IonicContact NH2-OD2 3.68Å; R88-D111 PolarHBondContact NH2-OD2 3.15Å
89	F	98.4	Very high	98.1	Very high	5 Å²	5	55 Å²	55	2%	0.022	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.4	-178.3	-64.7	5.5	0	0	0	110.9	L67 V85 L102 Q103 M104 L107 D111 Y115	L67-F89 HydrophobicContact CD1-CE2 4.4Å; V85-F89 HydrophobicContact CB-CB 4.02Å; V85-F89 HydrophobicContact CB-CD1 4.42Å; V85-F89 HydrophobicContact CB-CD2 3.55Å; V85-F89 HydrophobicContact CB-CE2 4.07Å; V85-F89 HydrophobicContact CB-CG 3.74Å; V85-F89 HydrophobicContact CG1-CD2 3.45Å; V85-F89 VanDerWaalsContact CG1-CD2 3.45Å; V85-F89 HydrophobicContact CG1-CE2 3.46Å; V85-F89 VanDerWaalsContact CG1-CE2 3.46Å; V85-F89 HydrophobicContact CG1-CG 4.1Å; V85-F89 HydrophobicContact CG1-CZ 4.1Å; V85-F89 HydrophobicContact CG2-CB 4.38Å; V85-F89 HydrophobicContact CG2-CD2 4.22Å; V85-F89 PolarHBondContact O-N 2.81Å; F89-L102 HydrophobicContact CB-CD1 4.07Å; F89-L102 HydrophobicContact CD2-CD1 4.15Å; F89-L102 HydrophobicContact CD2-CD2 4.22Å; F89-L102 HydrophobicContact CD2-CG 4.41Å; F89-L102 HydrophobicContact CG-CD1 4.49Å; F89-Q103 CarbonylContact C-O 3.52Å; F89-Q103 VanDerWaalsContact CA-O 3.23Å; F89-Q103 WeakPolarHBondContact CA-O 3.39Å; F89-M104 HydrophobicContact CD1-CB 3.72Å; F89-M104 HydrophobicContact CD1-CG 3.84Å; F89-M104 HydrophobicContact CD2-CG 3.84Å; F89-M104 HydrophobicContact CD2-SD 4.27Å; F89-M104 HydrophobicContact CE1-CB 3.56Å; F89-M104 HydrophobicContact CE1-CG 3.79Å; F89-M104 HydrophobicContact CE1-SD 4.34Å; F89-M104 HydrophobicContact CE2-CB 4.45Å; F89-M104 HydrophobicContact CE2-CG 3.76Å; F89-M104 HydrophobicContact CE2-SD 3.67Å; F89-M104 HydrophobicContact CG-CB 4.28Å; F89-M104 HydrophobicContact CG-CG 3.9Å; F89-M104 HydrophobicContact CZ-CB 3.95Å; F89-M104 HydrophobicContact CZ-CG 3.74Å; F89-M104 HydrophobicContact CZ-SD 3.72Å; F89-L107 HydrophobicContact CE1-CD2 4Å; F89-L107 HydrophobicContact CZ-CD2 3.95Å; F89-D111 HydrophobicContact CZ-CB 4.11Å; F89-Y115 HydrophobicContact CE2-CE1 4.29Å
90	T	98.6	Very high	98.1	Very high	72 Å²	72	52.5 Å²	52.5	44%	0.442	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123.6	177.3	-59	0	0	0	0	109.1	Q103	T90-Q103 PolarHBondContact N-O 3.02Å; T90-Q103 PolarHBondContact O-N 2.95Å
91	I	98.7	Very high	98.2	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.2	175.6	-61.4	168.1	0	0	0	107.9	I70 Y81 L100 Y101 L102	I70-I91 HydrophobicContact CB-CG2 3.85Å; I70-I91 HydrophobicContact CG2-CG2 3.61Å; Y81-I91 HydrophobicContact CD1-CD1 4.3Å; Y81-I91 HydrophobicContact CE1-CB 4.29Å; Y81-I91 HydrophobicContact CE1-CD1 3.91Å; Y81-I91 HydrophobicContact CE1-CG1 3.84Å; Y81-I91 PolarHBondContact OH-N 2.89Å; I91-L100 HydrophobicContact CG2-CD1 3.78Å; I91-L100 HydrophobicContact CG2-CG 4.49Å; I91-Y101 WeakPolarHBondContact CA-O 3.39Å; I91-L102 HydrophobicContact CD1-CD1 4.43Å; I91-L102 HydrophobicContact CG1-CD1 3.6Å
92	S	98.5	Very high	98.2	Very high	55 Å²	55	48.7 Å²	48.7	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	165.8	173	66.5	0	0	0	0	110.2	Y101	S92-Y101 PolarHBondContact N-O 2.86Å; S92-Y101 PolarHBondContact O-N 2.9Å; S92-Y101 WeakPolarHBondContact OG-CB 3.26Å
93	R	98.4	Very high	98.2	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.8	-177.3	63.6	-174.4	-76.4	168.9	9.7	111.3	F48 Y51 I70 R71 Y77 N95 I99 L100	F48-R93 HydrophobicContact CE1-CB 4.23Å; F48-R93 HydrophobicContact CZ-CB 4.13Å; F48-R93 PolarHBondContact O-NH2 2.87Å; Y51-R93 PolarHBondContact O-NH1 2.9Å; I70-R93 HydrophobicContact CD1-CB 4.47Å; I70-R93 HydrophobicContact CD1-CG 3.82Å; I70-R93 HydrophobicContact CG1-CG 4.33Å; I70-R93 HydrophobicContact CG2-CB 4.28Å; I70-R93 HydrophobicContact CG2-CG 4.35Å; R71-R93 PolarHBondContact O-NH1 3.42Å; Y77-R93 HydrophobicContact CD1-CG 4.28Å; Y77-R93 HydrophobicContact CE1-CG 4.34Å; R93-N95 VanDerWaalsContact CZ-OD1 3.27Å; R93-N95 PolarHBondContact NE-OD1 3.41Å; R93-N95 PolarHBondContact NH2-OD1 3.19Å; R93-I99 CarbonylContact C-O 3.54Å; R93-I99 WeakPolarHBondContact CA-O 3.4Å; R93-L100 HydrophobicContact CB-CD1 4.26Å
94	D	98.1	Very high	98.2	Very high	48 Å²	48	46.7 Å²	46.7	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111.2	168.1	-173.3	-23.2	0	0	0	109.3	S96 Q97 S98 I99 Y101	D94-S96 WeakPolarHBondContact OD1-CA 3.45Å; D94-S96 WeakPolarHBondContact OD1-CB 3.37Å; D94-S96 PolarHBondContact OD1-N 3.35Å; D94-S96 PolarHBondContact OD1-OG 2.81Å; D94-Q97 HydrophobicContact CB-CB 4.34Å; D94-Q97 PolarHBondContact OD1-N 3.32Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.34Å; D94-Q97 PolarHBondContact OD2-OE1 3.17Å; D94-S98 WeakPolarHBondContact O-CA 3.26Å; D94-S98 PolarHBondContact O-N 3.24Å; D94-I99 PolarHBondContact N-O 3.18Å; D94-I99 PolarHBondContact O-N 2.89Å; D94-Y101 HydrophobicContact CB-CE2 4.02Å
95	N	97.8	Very high	98.2	Very high	37 Å²	37	47.6 Å²	47.6	20%	0.198	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.1	-179.5	-77.8	-4.4	0	0	0	113.4	F48 T49 Y77 R93 Q97	F48-N95 WeakPolarHBondContact CE1-OD1 3.21Å; T49-N95 HydrophobicContact CG2-CB 3.8Å; Y77-N95 PolarHBondContact OH-ND2 3.3Å; R93-N95 VanDerWaalsContact CZ-OD1 3.27Å; R93-N95 PolarHBondContact NE-OD1 3.41Å; R93-N95 PolarHBondContact NH2-OD1 3.19Å; N95-Q97 VanDerWaalsContact C-N 3.32Å
96	S	97.4	Very high	98.1	Very high	108 Å²	108	50 Å²	50	76%	0.755	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.9	178.9	71.9	0	0	0	0	111.5	D94	D94-S96 WeakPolarHBondContact OD1-CA 3.45Å; D94-S96 WeakPolarHBondContact OD1-CB 3.37Å; D94-S96 PolarHBondContact OD1-N 3.35Å; D94-S96 PolarHBondContact OD1-OG 2.81Å
97	Q	98	Very high	98.1	Very high	112 Å²	112	43.3 Å²	43.3	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.3	178.8	-59.5	-171.8	-41.6	0	0	113.4	D94 N95 I99 Y101	D94-Q97 HydrophobicContact CB-CB 4.34Å; D94-Q97 PolarHBondContact OD1-N 3.32Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.34Å; D94-Q97 PolarHBondContact OD2-OE1 3.17Å; N95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; Q97-I99 HydrophobicContact CB-CB 4.45Å; Q97-I99 HydrophobicContact CB-CD1 3.78Å; Q97-I99 HydrophobicContact CB-CG1 3.83Å; Q97-Y101 PolarHBondContact OE1-OH 2.83Å
98	S	98.1	Very high	98	Very high	32 Å²	32	46.1 Å²	46.1	22%	0.224	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	46.6	-170.5	-59.3	0	0	0	0	112.7	A43 D94	A43-S98 PolarHBondContact N-O 3.06Å; A43-S98 VanDerWaalsContact O-CB 3.29Å; A43-S98 WeakPolarHBondContact O-CB 3.37Å; D94-S98 WeakPolarHBondContact O-CA 3.26Å; D94-S98 PolarHBondContact O-N 3.24Å
99	I	98.7	Very high	97.9	Very high	32 Å²	32	48 Å²	48	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	-179	-57.8	177.1	0	0	0	110.5	C41 R93 D94 Q97 Y101	C41-I99 WeakPolarHBondContact O-CA 3.47Å; R93-I99 CarbonylContact C-O 3.54Å; R93-I99 WeakPolarHBondContact CA-O 3.4Å; D94-I99 PolarHBondContact N-O 3.18Å; D94-I99 PolarHBondContact O-N 2.89Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; Q97-I99 HydrophobicContact CB-CB 4.45Å; Q97-I99 HydrophobicContact CB-CD1 3.78Å; Q97-I99 HydrophobicContact CB-CG1 3.83Å; I99-Y101 HydrophobicContact CB-CE2 3.96Å; I99-Y101 HydrophobicContact CG2-CD1 4.04Å; I99-Y101 HydrophobicContact CG2-CD2 4.14Å; I99-Y101 HydrophobicContact CG2-CE1 3.55Å; I99-Y101 HydrophobicContact CG2-CE2 3.66Å; I99-Y101 HydrophobicContact CG2-CG 4.32Å
100	L	98.8	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.1	167.1	-175.6	73	0	0	0	109.2	S40 C41 F48 M53 W55 I70 I91 R93 C117	S40-L100 CarbonylContact C-O 3.58Å; S40-L100 VanDerWaalsContact CA-O 3.27Å; S40-L100 WeakPolarHBondContact CA-O 3.47Å; C41-L100 HydrophobicContact CB-CB 4.19Å; C41-L100 PolarHBondContact N-O 3.47Å; C41-L100 PolarHBondContact O-N 2.91Å; F48-L100 HydrophobicContact CZ-CB 4.45Å; M53-L100 HydrophobicContact CB-CD1 3.56Å; M53-L100 HydrophobicContact CB-CD2 3.85Å; M53-L100 HydrophobicContact CB-CG 4.2Å; W55-L100 HydrophobicContact CD2-CD2 4.26Å; W55-L100 HydrophobicContact CG-CD2 4.26Å; W55-L100 HydrophobicContact CZ2-CD2 4.22Å; W55-L100 HydrophobicContact CZ2-CG 4.37Å; I70-L100 HydrophobicContact CG2-CD1 3.49Å; I70-L100 VanDerWaalsContact CG2-CD1 3.49Å; I91-L100 HydrophobicContact CG2-CD1 3.78Å; I91-L100 HydrophobicContact CG2-CG 4.49Å; R93-L100 HydrophobicContact CB-CD1 4.26Å; L100-C117 HydrophobicContact CD2-CB 3.85Å
101	Y	98.8	Very high	97.7	Very high	64 Å²	64	50.6 Å²	50.6	25%	0.251	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149	178.5	-61.5	-80.3	0	0	0	111.2	L39 W55 I91 S92 D94 Q97 I99	L39-Y101 WeakPolarHBondContact O-CA 3.28Å; W55-Y101 PolarHBondContact NE1-O 3.21Å; I91-Y101 WeakPolarHBondContact CA-O 3.39Å; S92-Y101 PolarHBondContact N-O 2.86Å; S92-Y101 PolarHBondContact O-N 2.9Å; S92-Y101 WeakPolarHBondContact OG-CB 3.26Å; D94-Y101 HydrophobicContact CB-CE2 4.02Å; Q97-Y101 PolarHBondContact OE1-OH 2.83Å; I99-Y101 HydrophobicContact CB-CE2 3.96Å; I99-Y101 HydrophobicContact CG2-CD1 4.04Å; I99-Y101 HydrophobicContact CG2-CD2 4.14Å; I99-Y101 HydrophobicContact CG2-CE1 3.55Å; I99-Y101 HydrophobicContact CG2-CE2 3.66Å; I99-Y101 HydrophobicContact CG2-CG 4.32Å
102	L	98.8	Very high	97.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	103	168.4	-175.4	68.7	0	0	0	108.8	S38 L39 W55 F89 I91 M104 Y115	S38-L102 WeakPolarHBondContact CA-O 3.29Å; L39-L102 HydrophobicContact CB-CB 4.21Å; L39-L102 HydrophobicContact CD1-CD2 4.16Å; L39-L102 PolarHBondContact N-O 2.93Å; L39-L102 PolarHBondContact O-N 2.83Å; W55-L102 HydrophobicContact CB-CD2 4.41Å; W55-L102 HydrophobicContact CD2-CB 4Å; W55-L102 HydrophobicContact CD2-CD2 4.15Å; W55-L102 HydrophobicContact CE3-CD2 4.48Å; W55-L102 HydrophobicContact CG-CB 4.18Å; W55-L102 HydrophobicContact CG-CD1 4.23Å; W55-L102 HydrophobicContact CG-CD2 4.12Å; W55-L102 HydrophobicContact CG-CG 4.42Å; W55-L102 HydrophobicContact CZ2-CB 4.02Å; F89-L102 HydrophobicContact CB-CD1 4.07Å; F89-L102 HydrophobicContact CD2-CD1 4.15Å; F89-L102 HydrophobicContact CD2-CD2 4.22Å; F89-L102 HydrophobicContact CD2-CG 4.41Å; F89-L102 HydrophobicContact CG-CD1 4.49Å; I91-L102 HydrophobicContact CD1-CD1 4.43Å; I91-L102 HydrophobicContact CG1-CD1 3.6Å; L102-M104 HydrophobicContact CD2-CG 3.88Å; L102-M104 HydrophobicContact CD2-SD 3.76Å; L102-M104 HydrophobicContact CG-CG 3.78Å; L102-M104 HydrophobicContact CG-SD 4.32Å; L102-Y115 HydrophobicContact CD2-CD1 3.81Å; L102-Y115 HydrophobicContact CD2-CE1 3.89Å
103	Q	98.4	Very high	97.5	Very high	69 Å²	69	53 Å²	53	32%	0.322	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.5	169.3	-179.3	62.1	30	0	0	108.7	F89 T90 N105	F89-Q103 CarbonylContact C-O 3.52Å; F89-Q103 VanDerWaalsContact CA-O 3.23Å; F89-Q103 WeakPolarHBondContact CA-O 3.39Å; T90-Q103 PolarHBondContact N-O 3.02Å; T90-Q103 PolarHBondContact O-N 2.95Å; Q103-N105 PolarHBondContact NE2-OD1 3.04Å
104	M	98.2	Very high	97.5	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124	179.7	-58.3	-176.7	-65.4	0	0	109.5	S36 L37 L39 F89 L102 L107 Y115	S36-M104 CarbonylContact C-O 3.49Å; S36-M104 WeakPolarHBondContact CA-O 3.35Å; S36-M104 VanDerWaalsContact CB-O 3.27Å; S36-M104 WeakPolarHBondContact CB-O 3.03Å; L37-M104 HydrophobicContact CB-CE 3.88Å; L37-M104 HydrophobicContact CD2-CE 3.81Å; L37-M104 HydrophobicContact CG-CE 4.17Å; L37-M104 PolarHBondContact N-O 3.04Å; L37-M104 WeakPolarHBondContact O-CB 3.39Å; L37-M104 PolarHBondContact O-N 3.09Å; L39-M104 HydrophobicContact CD1-CE 3.93Å; L39-M104 HydrophobicContact CD1-SD 4.34Å; L39-M104 HydrophobicContact CD2-CE 3.98Å; L39-M104 HydrophobicContact CG-CE 3.67Å; F89-M104 HydrophobicContact CD1-CB 3.72Å; F89-M104 HydrophobicContact CD1-CG 3.84Å; F89-M104 HydrophobicContact CD2-CG 3.84Å; F89-M104 HydrophobicContact CD2-SD 4.27Å; F89-M104 HydrophobicContact CE1-CB 3.56Å; F89-M104 HydrophobicContact CE1-CG 3.79Å; F89-M104 HydrophobicContact CE1-SD 4.34Å; F89-M104 HydrophobicContact CE2-CB 4.45Å; F89-M104 HydrophobicContact CE2-CG 3.76Å; F89-M104 HydrophobicContact CE2-SD 3.67Å; F89-M104 HydrophobicContact CG-CB 4.28Å; F89-M104 HydrophobicContact CG-CG 3.9Å; F89-M104 HydrophobicContact CZ-CB 3.95Å; F89-M104 HydrophobicContact CZ-CG 3.74Å; F89-M104 HydrophobicContact CZ-SD 3.72Å; L102-M104 HydrophobicContact CD2-CG 3.88Å; L102-M104 HydrophobicContact CD2-SD 3.76Å; L102-M104 HydrophobicContact CG-CG 3.78Å; L102-M104 HydrophobicContact CG-SD 4.32Å; M104-L107 HydrophobicContact CB-CD1 4.3Å; M104-L107 HydrophobicContact CB-CD2 3.84Å; M104-L107 HydrophobicContact CB-CG 4.13Å; M104-L107 HydrophobicContact CE-CD2 4.43Å; M104-L107 HydrophobicContact SD-CD2 4.19Å; M104-Y115 HydrophobicContact SD-CE1 3.87Å
105	N	97	Very high	97.5	Very high	58 Å²	58	54 Å²	54	31%	0.31	30%	0.302	S	S	.	.			trans	-122.7	158.4	176.8	-55.3	-62.7	0	0	0	110.9	S36 R88 Q103 L107	S36-N105 PolarHBondContact OG-OD1 2.78Å; R88-N105 WeakPolarHBondContact O-CB 3.48Å; R88-N105 PolarHBondContact O-N 2.97Å; R88-N105 VanDerWaalsContact O-N 3.09Å; Q103-N105 PolarHBondContact NE2-OD1 3.04Å; N105-L107 PolarHBondContact O-N 3.09Å
106	A	96.7	Very high	97.5	Very high	51 Å²	51	56.5 Å²	56.5	42%	0.421	31%	0.31	S	S	.	.	S	Bend	trans	49.1	50.7	-178.4	0	0	0	0	0	111.1	G35 R88	G35-A106 PolarHBondContact O-N 3.47Å; R88-A106 PolarHBondContact NH1-O 3.22Å
107	L	97.5	Very high	97.6	Very high	16 Å²	16	51.7 Å²	51.7	8%	0.084	28%	0.276	C	S	.	.			trans	-60.9	139.5	-177.1	-82.2	164.8	0	0	0	110.9	V31 G34 G35 L37 F89 M104 N105 D111	V31-L107 HydrophobicContact CG2-CD1 3.46Å; V31-L107 VanDerWaalsContact CG2-CD1 3.46Å; G34-L107 PolarHBondContact N-O 3.21Å; G35-L107 WeakPolarHBondContact O-CB 3.41Å; G35-L107 PolarHBondContact O-N 3.31Å; L37-L107 HydrophobicContact CB-CD1 3.81Å; F89-L107 HydrophobicContact CE1-CD2 4Å; F89-L107 HydrophobicContact CZ-CD2 3.95Å; M104-L107 HydrophobicContact CB-CD1 4.3Å; M104-L107 HydrophobicContact CB-CD2 3.84Å; M104-L107 HydrophobicContact CB-CG 4.13Å; M104-L107 HydrophobicContact CE-CD2 4.43Å; M104-L107 HydrophobicContact SD-CD2 4.19Å; N105-L107 PolarHBondContact O-N 3.09Å; L107-D111 HydrophobicContact CD2-CB 3.65Å
108	R	96.4	Very high	97.6	Very high	140 Å²	140	48.1 Å²	48.1	53%	0.528	27%	0.265	S	S	.	.			trans	-116.2	165	178.7	-50.8	177.5	177.1	167.4	-2.9	109.9	E110 D111	R108-E110 WeakPolarHBondContact CB-OE2 3.49Å; R108-E110 PolarHBondContact O-N 2.92Å; R108-D111 PolarHBondContact N-OD2 3.11Å; R108-D111 WeakPolarHBondContact O-CB 3.47Å; R108-D111 PolarHBondContact O-N 3.09Å
109	A	94.9	Very high	97.5	Very high	66 Å²	66	51 Å²	51	55%	0.545	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-57.3	-35	176.8	0	0	0	0	0	111.5	D111 S112	A109-D111 PolarHBondContact O-N 2.98Å; A109-S112 VanDerWaalsContact O-CB 3.3Å; A109-S112 WeakPolarHBondContact O-CB 3.4Å; A109-S112 PolarHBondContact O-N 3.23Å; A109-S112 VanDerWaalsContact O-N 3.14Å; A109-S112 PolarHBondContact O-OG 3.03Å
110	E	94.7	Very high	97.1	Very high	125 Å²	125	59.3 Å²	59.3	58%	0.584	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-68.3	-13.1	178.5	-53.8	75.1	-154.4	0	0	113.6	R108 S112	R108-E110 WeakPolarHBondContact CB-OE2 3.49Å; R108-E110 PolarHBondContact O-N 2.92Å; E110-S112 VanDerWaalsContact C-N 3.27Å
111	D	97	Very high	97	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.032	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-83.5	-3.8	175.1	-58.6	-44.1	0	0	0	113.1	R57 R88 F89 L107 R108 A109 A113 Y115	R57-D111 IonicContact CZ-OD1 3.35Å; R57-D111 IonicContact NH1-OD1 2.75Å; R57-D111 PolarHBondContact NH1-OD1 3.06Å; R88-D111 IonicContact CZ-OD1 2.82Å; R88-D111 IonicContact CZ-OD2 2.91Å; R88-D111 IonicContact NH1-OD1 2.77Å; R88-D111 IonicContact NH1-OD2 3.96Å; R88-D111 PolarHBondContact NH1-OD2 3.16Å; R88-D111 IonicContact NH2-OD1 3.18Å; R88-D111 PolarHBondContact NH2-OD1 3.44Å; R88-D111 IonicContact NH2-OD2 3.68Å; R88-D111 PolarHBondContact NH2-OD2 3.15Å; F89-D111 HydrophobicContact CZ-CB 4.11Å; L107-D111 HydrophobicContact CD2-CB 3.65Å; R108-D111 PolarHBondContact N-OD2 3.11Å; R108-D111 WeakPolarHBondContact O-CB 3.47Å; R108-D111 PolarHBondContact O-N 3.09Å; A109-D111 PolarHBondContact O-N 2.98Å; D111-A113 PolarHBondContact O-N 3.21Å; D111-Y115 WeakPolarHBondContact O-CE2 3.5Å; D111-Y115 PolarHBondContact O-OH 2.94Å
112	S	96.3	Very high	96.9	Very high	82 Å²	82	62.2 Å²	62.2	57%	0.573	32%	0.321	S	S	*	.			trans	-71	107.4	175.3	-53.9	0	0	0	0	110.6	A109 E110	A109-S112 VanDerWaalsContact O-CB 3.3Å; A109-S112 WeakPolarHBondContact O-CB 3.4Å; A109-S112 PolarHBondContact O-N 3.23Å; A109-S112 VanDerWaalsContact O-N 3.14Å; A109-S112 PolarHBondContact O-OG 3.03Å; E110-S112 VanDerWaalsContact C-N 3.27Å
113	A	97.4	Very high	96.8	Very high	29 Å²	29	65.6 Å²	65.6	24%	0.24	34%	0.338	C	S	.	.	S	Bend	trans	-160.9	167.6	-176.1	0	0	0	0	0	110.7	R57 Q58 P59 D111 Y115	R57-A113 HydrophobicContact CB-CB 3.82Å; R57-A113 HydrophobicContact CG-CB 4.2Å; Q58-A113 WeakPolarHBondContact O-CB 3.33Å; P59-A113 HydrophobicContact CB-CB 4.45Å; P59-A113 HydrophobicContact CG-CB 4.32Å; D111-A113 PolarHBondContact O-N 3.21Å; A113-Y115 HydrophobicContact CB-CD2 4.37Å; A113-Y115 HydrophobicContact CB-CE2 3.9Å; A113-Y115 VanDerWaalsContact O-CD2 3.28Å; A113-Y115 WeakPolarHBondContact O-CD2 3.5Å; A113-Y115 WeakPolarHBondContact O-CE2 3.37Å
114	T	97.9	Very high	96.7	Very high	76 Å²	76	65.4 Å²	65.4	47%	0.466	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.7	160.7	-50.5	0	0	0	0	108.6	R57 Q58 Y116	R57-T114 CarbonylContact C-O 3.51Å; R57-T114 VanDerWaalsContact CA-O 3.24Å; R57-T114 WeakPolarHBondContact CA-O 3.26Å; Q58-T114 PolarHBondContact N-O 3.07Å; Q58-T114 PolarHBondContact O-N 2.67Å; T114-Y116 HydrophobicContact CG2-CE1 3.91Å; T114-Y116 HydrophobicContact CG2-CE2 3.77Å; T114-Y116 VanDerWaalsContact CG2-OH 3.29Å; T114-Y116 WeakPolarHBondContact CG2-OH 3.18Å
115	Y	98.5	Very high	96.6	Very high	25 Å²	25	69.2 Å²	69.2	10%	0.098	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.3	-179.1	-73.8	-107.3	0	0	0	109.8	L39 V56 R57 L67 F89 L102 M104 D111 A113	L39-Y115 VanDerWaalsContact CD1-CB 3.47Å; L39-Y115 HydrophobicContact CD1-CD1 3.75Å; L39-Y115 HydrophobicContact CD1-CD2 3.98Å; L39-Y115 HydrophobicContact CD1-CE1 4.48Å; L39-Y115 HydrophobicContact CD1-CG 3.46Å; L39-Y115 VanDerWaalsContact CD1-CG 3.46Å; V56-Y115 WeakPolarHBondContact O-CA 3.37Å; R57-Y115 HydrophobicContact CB-CD1 3.95Å; R57-Y115 HydrophobicContact CB-CD2 4.44Å; R57-Y115 HydrophobicContact CB-CE1 3.9Å; R57-Y115 HydrophobicContact CB-CE2 4.37Å; R57-Y115 HydrophobicContact CB-CG 4.21Å; L67-Y115 HydrophobicContact CD1-CD1 3.85Å; L67-Y115 HydrophobicContact CD1-CE1 3.41Å; L67-Y115 VanDerWaalsContact CD1-CE1 3.41Å; F89-Y115 HydrophobicContact CE2-CE1 4.29Å; L102-Y115 HydrophobicContact CD2-CD1 3.81Å; L102-Y115 HydrophobicContact CD2-CE1 3.89Å; M104-Y115 HydrophobicContact SD-CE1 3.87Å; D111-Y115 WeakPolarHBondContact O-CE2 3.5Å; D111-Y115 PolarHBondContact O-OH 2.94Å; A113-Y115 HydrophobicContact CB-CD2 4.37Å; A113-Y115 HydrophobicContact CB-CE2 3.9Å; A113-Y115 VanDerWaalsContact O-CD2 3.28Å; A113-Y115 WeakPolarHBondContact O-CD2 3.5Å; A113-Y115 WeakPolarHBondContact O-CE2 3.37Å
116	Y	98.5	Very high	96.6	Very high	90 Å²	90	69.9 Å²	69.9	35%	0.353	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.9	-179.9	-57.3	-77.1	0	0	0	108.8	E25 V56 Q58 L64 T114	E25-Y116 WeakPolarHBondContact OE1-CA 3.23Å; V56-Y116 PolarHBondContact N-O 3.35Å; V56-Y116 PolarHBondContact O-N 3.3Å; V56-Y116 VanDerWaalsContact O-O 3.1Å; Q58-Y116 HydrophobicContact CB-CE2 3.99Å; L64-Y116 HydrophobicContact CD2-CD2 4.2Å; L64-Y116 HydrophobicContact CD2-CE2 4.37Å; T114-Y116 HydrophobicContact CG2-CE1 3.91Å; T114-Y116 HydrophobicContact CG2-CE2 3.77Å; T114-Y116 VanDerWaalsContact CG2-OH 3.29Å; T114-Y116 WeakPolarHBondContact CG2-OH 3.18Å
117	C	98.5	Very high	96.6	Very high	7 Å²	7	71.3 Å²	71.3	5%	0.047	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	151.4	164	57.5	0	0	0	0	109.7	L23 E25 C41 S54 W55 L100	L23-C117 WeakPolarHBondContact CD1-O 3.49Å; E25-C117 PolarHBondContact OE1-N 2.83Å; E25-C117 PolarHBondContact OE1-SG 2.87Å; C41-C117 HydrophobicContact CB-CB 3.42Å; C41-C117 VanDerWaalsContact CB-CB 3.42Å; C41-C117 WeakPolarHBondContact CB-SG 3.36Å; C41-C117 WeakPolarHBondContact SG-CB 3.5Å; C41-C117 CovalentContact SG-SG 2Å; C41-C117 PolarHBondContact SG-SG 3.05Å; S54-C117 CarbonylContact O-C 3.59Å; S54-C117 VanDerWaalsContact O-CA 3.25Å; S54-C117 WeakPolarHBondContact O-CA 3.35Å; W55-C117 HydrophobicContact CD2-CB 4.48Å; W55-C117 HydrophobicContact CE3-CB 4.3Å; W55-C117 HydrophobicContact CH2-CB 4.37Å; W55-C117 HydrophobicContact CZ3-CB 4.24Å; L100-C117 HydrophobicContact CD2-CB 3.85Å
118	A	98.2	Very high	96.5	Very high	36 Å²	36	75.5 Å²	75.5	30%	0.298	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.5	178.4	0	0	0	0	0	110.5	M53 S54	M53-A118 WeakPolarHBondContact CA-O 3.14Å; S54-A118 PolarHBondContact N-O 3.11Å; S54-A118 PolarHBondContact O-N 2.97Å
119	R	96.3	Very high	96.5	Very high	94 Å²	94	70.2 Å²	70.2	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.4	170.8	-172.7	-175.2	73	-171.9	-0.6	109.2	F46 Y51 M53	F46-R119 HydrophobicContact CD2-CG 4.37Å; F46-R119 HydrophobicContact CE2-CG 3.83Å; F46-R119 VanDerWaalsContact CG-NH1 3.31Å; F46-R119 HydrophobicContact CZ-CB 4.36Å; F46-R119 HydrophobicContact CZ-CG 4.14Å; Y51-R119 HydrophobicContact CD1-CG 3.49Å; Y51-R119 VanDerWaalsContact CD1-CG 3.49Å; Y51-R119 HydrophobicContact CD2-CG 4.28Å; Y51-R119 HydrophobicContact CE1-CG 4.25Å; Y51-R119 VanDerWaalsContact CG-CD 3.47Å; Y51-R119 HydrophobicContact CG-CG 3.49Å; Y51-R119 VanDerWaalsContact CG-CG 3.49Å; M53-R119 HydrophobicContact CE-CB 4.41Å; M53-R119 HydrophobicContact SD-CB 4.09Å; M53-R119 HydrophobicContact SD-CG 4.1Å
120	Y	90.2	Very high	96.7	Very high	206 Å²	206	70.5 Å²	70.5	81%	0.808	35%	0.35	S	S	*	.			trans	-115.6	0	170.5	-173	-91.4	0	0	0	109.9	Y51 Y52	Y51-Y120 WeakPolarHBondContact CD1-O 3.32Å; Y52-Y120 HydrophobicContact CD2-CD1 4.12Å; Y52-Y120 PolarHBondContact N-O 2.76Å; Y52-Y120 VanDerWaalsContact N-O 3.09Å; Y52-Y120 PolarHBondContact O-N 3.03Å

Retrieved 120 of 120 residues in 90.5 ms (Link to these results)

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