A0A068LL52_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LL52, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 126 aa.

						>A0A068LL52_HUMAN|A0A068LL52
GVQCQVQLVDSGGGVVQPGRSLRLSCAASGFTFSNYGMHWVRQAPGKGLQWLALISYDGRDKYYADSVKGRFNISRDNYKNTLYLQVNSLTPEDTAVYYCARGYTSGLPRWPVGYWGQGTLVTVSS
					

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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	G	45.1	Very low	79.8	Confident	131 Å²	131	92 Å²	92	100%	1.351	56%	0.558	S	S	*	*				0	124.1	0	0	0	0	0	0	107.5	Q3	G1-Q3 PolarHBondContact O-N 2.98Å; G1-Q3 VanDerWaalsContact O-N 3.15Å
2	V	49.6	Very low	81.3	Confident	143 Å²	143	87.8 Å²	87.8	87%	0.867	55%	0.547	S	S	*	.			trans	-72.1	110.5	-179.2	-164.6	0	0	0	0	107.2	C4	V2-C4 PolarHBondContact O-N 3.27Å; V2-C4 VanDerWaalsContact O-N 3.13Å
3	Q	53.8	Low	82.5	Confident	188 Å²	188	83.4 Å²	83.4	88%	0.879	53%	0.529	S	S	*	.			trans	-67	106.7	165.5	-127.5	179.1	-17.7	0	0	105.7	G1 Q5	G1-Q3 PolarHBondContact O-N 2.98Å; G1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-Q5 PolarHBondContact O-N 3.27Å
4	C	71.3	Confident	83.5	Confident	97 Å²	97	79.7 Å²	79.7	66%	0.655	52%	0.515	S	S	*	.			trans	-63.6	109.2	171.2	-81	0	0	0	0	107.8	V2 V6	V2-C4 PolarHBondContact O-N 3.27Å; V2-C4 VanDerWaalsContact O-N 3.13Å; C4-V6 PolarHBondContact O-N 3.13Å
5	Q	84.1	Confident	84.5	Confident	172 Å²	172	81.5 Å²	81.5	80%	0.804	52%	0.523	S	S	*	.			trans	-59.7	132.6	173.5	-174.9	174.2	-2.4	0	0	108.9	Q3 Q7	Q3-Q5 PolarHBondContact O-N 3.27Å; Q5-Q7 PolarHBondContact O-N 3.29Å
6	V	88.8	Confident	85.2	Confident	28 Å²	28	78.3 Å²	78.3	17%	0.17	50%	0.502	C	S	.	.			trans	-65.2	128.9	175.2	173.6	0	0	0	0	109	C4 S29 G30 F31 Y115	C4-V6 PolarHBondContact O-N 3.13Å; V6-S29 WeakPolarHBondContact CA-O 3.37Å; V6-G30 WeakPolarHBondContact CG2-O 3.28Å; V6-F31 HydrophobicContact CG1-CD1 3.69Å; V6-F31 HydrophobicContact CG1-CE1 3.99Å; V6-F31 HydrophobicContact CG2-CB 4.49Å; V6-F31 HydrophobicContact CG2-CD1 4.42Å; V6-Y115 HydrophobicContact CB-CD1 3.68Å; V6-Y115 HydrophobicContact CB-CD2 4.22Å; V6-Y115 HydrophobicContact CB-CE1 3.6Å; V6-Y115 HydrophobicContact CB-CE2 4.14Å; V6-Y115 HydrophobicContact CB-CG 4Å; V6-Y115 HydrophobicContact CG1-CD1 3.53Å; V6-Y115 HydrophobicContact CG1-CD2 3.64Å; V6-Y115 HydrophobicContact CG1-CE1 3.96Å; V6-Y115 HydrophobicContact CG1-CE2 4.05Å; V6-Y115 HydrophobicContact CG1-CG 3.35Å; V6-Y115 HydrophobicContact CG2-CD1 4.46Å; V6-Y115 HydrophobicContact CG2-CD2 4.35Å; V6-Y115 HydrophobicContact CG2-CE1 4.03Å; V6-Y115 HydrophobicContact CG2-CE2 3.9Å
7	Q	93.9	Very high	85.9	Confident	112 Å²	112	79.9 Å²	79.9	52%	0.523	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.6	178.4	-162.2	-178.4	3.5	0	0	111	Q5 V9 A28 S29	Q5-Q7 PolarHBondContact O-N 3.29Å; Q7-V9 HydrophobicContact CG-CG2 3.82Å; Q7-A28 WeakPolarHBondContact O-CA 3.49Å; Q7-S29 WeakPolarHBondContact CB-OG 3.22Å; Q7-S29 PolarHBondContact N-O 3.08Å; Q7-S29 PolarHBondContact O-N 2.91Å
8	L	96.6	Very high	86.6	Confident	5 Å²	5	79.1 Å²	79.1	3%	0.026	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.5	170.7	-67.2	179.8	0	0	0	107.3	A27 A28 F31 M38 R102 Y115 G117	L8-A27 WeakPolarHBondContact CA-O 3.41Å; L8-A28 HydrophobicContact CD2-CB 3.65Å; L8-F31 HydrophobicContact CD2-CE1 3.85Å; L8-F31 HydrophobicContact CD2-CZ 3.94Å; L8-M38 HydrophobicContact CD1-CE 4.46Å; L8-M38 HydrophobicContact CD2-CE 4.02Å; L8-R102 HydrophobicContact CD1-CB 4.48Å; L8-Y115 WeakPolarHBondContact CD1-O 3.31Å; L8-G117 WeakPolarHBondContact O-CA 3.34Å
9	V	97.9	Very high	87.1	Confident	66 Å²	66	77.6 Å²	77.6	40%	0.4	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	103.8	-174.8	-175.7	0	0	0	0	109.7	Q7 C26 A27	Q7-V9 HydrophobicContact CG-CG2 3.82Å; V9-C26 VanDerWaalsContact O-CA 3.28Å; V9-C26 WeakPolarHBondContact O-CA 3.38Å; V9-A27 PolarHBondContact N-O 2.87Å; V9-A27 PolarHBondContact O-N 3.47Å
10	D	98.4	Very high	87.6	Confident	16 Å²	16	81.8 Å²	81.8	9%	0.086	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.6	177.6	-59.1	-65	0	0	0	111.6	S25 W40 C100 G117 Q118 G119 T120	D10-S25 CarbonylContact C-O 3.59Å; D10-S25 WeakPolarHBondContact CA-O 3.46Å; D10-W40 WeakPolarHBondContact OD1-CH2 3.39Å; D10-C100 WeakPolarHBondContact OD1-CB 3.43Å; D10-C100 PolarHBondContact OD1-N 2.84Å; D10-C100 PolarHBondContact OD1-SG 2.99Å; D10-G117 WeakPolarHBondContact OD2-CA 3.49Å; D10-Q118 PolarHBondContact OD2-N 3.11Å; D10-G119 WeakPolarHBondContact OD2-CA 3.27Å; D10-G119 PolarHBondContact OD2-N 3.47Å; D10-T120 HydrophobicContact CB-CG2 3.99Å
11	S	98.4	Very high	88.1	Confident	54 Å²	54	80.8 Å²	80.8	38%	0.378	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	175.6	175.2	74.9	0	0	0	0	112.5	L24 S25	S11-L24 WeakPolarHBondContact O-CA 3.2Å; S11-S25 PolarHBondContact N-O 2.83Å; S11-S25 PolarHBondContact O-N 3.01Å; S11-S25 PolarHBondContact OG-OG 3.09Å
12	G	97.4	Very high	90.6	Very high	41 Å²	41	75.3 Å²	75.3	42%	0.423	44%	0.44	S	S	.	.			trans	87.8	7	-178.5	0	0	0	0	0	114.6	L24	G12-L24 WeakPolarHBondContact O-CD2 3.34Å
13	G	97.2	Very high	92.9	Very high	31 Å²	31	74.8 Å²	74.8	32%	0.32	42%	0.423	S	S	.	.			trans	-72.2	170.8	167.6	0	0	0	0	0	112.5	T120 L121	G13-T120 VanDerWaalsContact CA-OG1 3.23Å; G13-T120 WeakPolarHBondContact CA-OG1 3.48Å; G13-T120 PolarHBondContact N-OG1 2.61Å; G13-T120 VanDerWaalsContact N-OG1 3.09Å; G13-L121 CarbonylContact C-O 3.6Å; G13-L121 WeakPolarHBondContact CA-O 3.39Å
14	G	96.9	Very high	95	Very high	32 Å²	32	65.8 Å²	65.8	33%	0.33	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.1	-175.9	-177.1	0	0	0	0	0	112.6	L121 T123	G14-L121 PolarHBondContact N-O 2.99Å; G14-T123 PolarHBondContact O-N 2.95Å
15	V	97.6	Very high	96.3	Very high	106 Å²	106	62.4 Å²	62.4	64%	0.642	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.7	175.3	-175.7	0	0	0	0	109.2	T123 S125	V15-T123 CarbonylContact C-O 3.58Å; V15-T123 WeakPolarHBondContact CA-O 3.29Å; V15-S125 VanDerWaalsContact CG1-OG 3.28Å; V15-S125 WeakPolarHBondContact CG1-OG 3.5Å
16	V	96.8	Very high	97	Very high	31 Å²	31	54.2 Å²	54.2	19%	0.188	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.3	-176.5	-177.8	0	0	0	0	109.8	R20 L22 L90 T123 V124 S125	V16-R20 HydrophobicContact CG1-CB 3.54Å; V16-R20 HydrophobicContact CG1-CG 4.34Å; V16-L22 HydrophobicContact CG2-CB 4.41Å; V16-L22 HydrophobicContact CG2-CD2 3.93Å; V16-L90 HydrophobicContact CB-CD1 4.01Å; V16-L90 HydrophobicContact CG1-CD1 3.57Å; V16-T123 PolarHBondContact N-O 3.16Å; V16-V124 VanDerWaalsContact O-CA 3.27Å; V16-V124 WeakPolarHBondContact O-CA 3.37Å; V16-S125 PolarHBondContact O-N 3.38Å; V16-S125 VanDerWaalsContact O-N 3.16Å
17	Q	97.3	Very high	97.4	Very high	106 Å²	106	55.1 Å²	55.1	50%	0.495	33%	0.33	S	S	.	.			trans	-71	149.3	176.4	-70.9	176.3	-0.4	0	0	111.8	R20 S125	Q17-R20 HydrophobicContact CB-CG 4.17Å; Q17-R20 WeakPolarHBondContact O-CB 3.44Å; Q17-R20 WeakPolarHBondContact O-CG 3.43Å; Q17-R20 PolarHBondContact O-N 2.95Å; Q17-S125 WeakPolarHBondContact CA-O 3.43Å
18	P	97.7	Very high	97.6	Very high	64 Å²	64	50.2 Å²	50.2	42%	0.416	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	144.3	173.1	-24.9	32.3	0	0	0	113	R20 L90 V124	P18-R20 PolarHBondContact O-N 2.98Å; P18-L90 CarbonylContact C-O 3.47Å; P18-L90 WeakPolarHBondContact CA-O 3.47Å; P18-V124 HydrophobicContact CB-CG1 4.29Å; P18-V124 HydrophobicContact CG-CG1 3.96Å
19	G	96.6	Very high	97.5	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-11.9	180	0	0	0	0	0	115.1	L90	G19-L90 PolarHBondContact N-O 2.87Å
20	R	97.2	Very high	97.3	Very high	162 Å²	162	51 Å²	51	61%	0.611	32%	0.322	S	S	*	.			trans	-76.9	173.1	171.6	-60.3	-64.7	-174.7	153.2	0.1	111.1	V16 Q17 P18 S89 L90	V16-R20 HydrophobicContact CG1-CB 3.54Å; V16-R20 HydrophobicContact CG1-CG 4.34Å; Q17-R20 HydrophobicContact CB-CG 4.17Å; Q17-R20 WeakPolarHBondContact O-CB 3.44Å; Q17-R20 WeakPolarHBondContact O-CG 3.43Å; Q17-R20 PolarHBondContact O-N 2.95Å; P18-R20 PolarHBondContact O-N 2.98Å; R20-S89 PolarHBondContact O-N 3.38Å; R20-L90 WeakPolarHBondContact O-CB 3.27Å; R20-L90 WeakPolarHBondContact O-CD1 3.39Å; R20-L90 PolarHBondContact O-N 2.9Å
21	S	97.1	Very high	96.9	Very high	60 Å²	60	51.7 Å²	51.7	42%	0.42	33%	0.325	S	S	.	.			trans	-119.9	152.4	176.1	-54.8	0	0	0	0	110.3	V87 N88	S21-V87 CarbonylContact C-O 3.56Å; S21-V87 WeakPolarHBondContact CA-O 3.46Å; S21-V87 VanDerWaalsContact CB-O 3.3Å; S21-V87 WeakPolarHBondContact CB-O 3.41Å; S21-N88 WeakPolarHBondContact OG-CA 3.24Å; S21-N88 PolarHBondContact OG-OD1 3Å
22	L	97.3	Very high	96.6	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.089	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.3	171.4	70.4	81.2	0	0	0	110.6	V16 L24 Q86 V87 L90 V122	V16-L22 HydrophobicContact CG2-CB 4.41Å; V16-L22 HydrophobicContact CG2-CD2 3.93Å; L22-L24 HydrophobicContact CD1-CD1 4.43Å; L22-L24 HydrophobicContact CD1-CD2 3.39Å; L22-L24 HydrophobicContact CD1-CG 3.52Å; L22-Q86 PolarHBondContact O-NE2 3.47Å; L22-V87 HydrophobicContact CD1-CB 4.23Å; L22-V87 HydrophobicContact CD1-CG2 4.15Å; L22-V87 HydrophobicContact CG-CB 4.23Å; L22-V87 PolarHBondContact N-O 3.16Å; L22-V87 PolarHBondContact O-N 2.8Å; L22-L90 HydrophobicContact CB-CD1 4.22Å; L22-L90 HydrophobicContact CD2-CD1 3.61Å; L22-L90 HydrophobicContact CD2-CD2 4.1Å; L22-L90 HydrophobicContact CD2-CG 4.5Å; L22-L90 HydrophobicContact CG-CD1 3.85Å; L22-L90 HydrophobicContact CG-CD2 4.49Å; L22-V122 HydrophobicContact CD1-CG2 4.33Å; L22-V122 HydrophobicContact CD2-CB 4.29Å; L22-V122 HydrophobicContact CD2-CG1 3.5Å; L22-V122 VanDerWaalsContact CD2-CG1 3.5Å; L22-V122 HydrophobicContact CD2-CG2 3.78Å
23	R	98.3	Very high	96.4	Very high	131 Å²	131	50.9 Å²	50.9	49%	0.494	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.7	175.5	-171.2	175.1	176.2	175.1	0.3	110	Y84 L85	R23-Y84 VanDerWaalsContact NH2-CD2 3.29Å; R23-L85 WeakPolarHBondContact CA-O 3.27Å
24	L	98.8	Very high	96.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.2	169.9	-53.8	179.7	0	0	0	110	S11 G12 L22 W40 Y84 L85 Y98 T120 V122	S11-L24 WeakPolarHBondContact O-CA 3.2Å; G12-L24 WeakPolarHBondContact O-CD2 3.34Å; L22-L24 HydrophobicContact CD1-CD1 4.43Å; L22-L24 HydrophobicContact CD1-CD2 3.39Å; L22-L24 HydrophobicContact CD1-CG 3.52Å; L24-W40 HydrophobicContact CB-CH2 3.66Å; L24-W40 HydrophobicContact CB-CZ2 3.84Å; L24-W40 HydrophobicContact CB-CZ3 4.27Å; L24-W40 HydrophobicContact CD1-CE3 4.33Å; L24-W40 HydrophobicContact CD1-CH2 4.21Å; L24-W40 HydrophobicContact CD1-CZ3 3.95Å; L24-Y84 VanDerWaalsContact O-CA 3.27Å; L24-Y84 WeakPolarHBondContact O-CA 3.4Å; L24-L85 HydrophobicContact CB-CB 4.25Å; L24-L85 HydrophobicContact CD1-CD2 4.3Å; L24-L85 PolarHBondContact N-O 2.67Å; L24-L85 PolarHBondContact O-N 3.33Å; L24-Y98 VanDerWaalsContact CD1-CB 3.48Å; L24-Y98 HydrophobicContact CD1-CD1 3.59Å; L24-Y98 HydrophobicContact CD1-CD2 4.22Å; L24-Y98 HydrophobicContact CD1-CE1 4.39Å; L24-Y98 HydrophobicContact CD1-CG 3.49Å; L24-Y98 VanDerWaalsContact CD1-CG 3.49Å; L24-T120 HydrophobicContact CD1-CG2 4.39Å; L24-T120 HydrophobicContact CD2-CG2 3.85Å; L24-V122 HydrophobicContact CD1-CG2 4.48Å; L24-V122 HydrophobicContact CD2-CG2 3.87Å
25	S	98.7	Very high	95.9	Very high	26 Å²	26	54.9 Å²	54.9	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.7	170.8	69.3	0	0	0	0	111	D10 S11 L83	D10-S25 CarbonylContact C-O 3.59Å; D10-S25 WeakPolarHBondContact CA-O 3.46Å; S11-S25 PolarHBondContact N-O 2.83Å; S11-S25 PolarHBondContact O-N 3.01Å; S11-S25 PolarHBondContact OG-OG 3.09Å; S25-L83 CarbonylContact C-O 3.54Å; S25-L83 VanDerWaalsContact CA-O 3.24Å; S25-L83 WeakPolarHBondContact CA-O 3.44Å
26	C	98.4	Very high	95.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.3	173.2	157.3	0	0	0	0	109.2	V9 W40 T82 L83 C100	V9-C26 VanDerWaalsContact O-CA 3.28Å; V9-C26 WeakPolarHBondContact O-CA 3.38Å; C26-W40 HydrophobicContact CB-CH2 4.13Å; C26-W40 HydrophobicContact CB-CZ2 3.94Å; C26-T82 WeakPolarHBondContact O-CA 3.26Å; C26-L83 HydrophobicContact CB-CB 4.21Å; C26-L83 PolarHBondContact N-O 3.04Å; C26-L83 PolarHBondContact O-N 2.83Å; C26-C100 HydrophobicContact CB-CB 3.31Å; C26-C100 WeakPolarHBondContact CB-SG 3.48Å; C26-C100 WeakPolarHBondContact SG-CB 3.45Å; C26-C100 CovalentContact SG-SG 2.02Å; C26-C100 PolarHBondContact SG-SG 3.06Å
27	A	98.2	Very high	95.4	Very high	46 Å²	46	50.7 Å²	50.7	38%	0.38	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.3	176.4	0	0	0	0	0	110	L8 V9	L8-A27 WeakPolarHBondContact CA-O 3.41Å; V9-A27 PolarHBondContact N-O 2.87Å; V9-A27 PolarHBondContact O-N 3.47Å
28	A	96.6	Very high	95.3	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.3	-177.4	0	0	0	0	0	112.2	Q7 L8 F31 F33 N81	Q7-A28 WeakPolarHBondContact O-CA 3.49Å; L8-A28 HydrophobicContact CD2-CB 3.65Å; A28-F31 HydrophobicContact CB-CE1 3.74Å; A28-F31 HydrophobicContact CB-CZ 3.67Å; A28-F33 HydrophobicContact CB-CD2 3.55Å; A28-F33 HydrophobicContact CB-CE2 4.07Å; A28-F33 HydrophobicContact CB-CG 4.41Å; A28-N81 HydrophobicContact CB-CB 4.46Å; A28-N81 WeakPolarHBondContact CB-O 3.38Å; A28-N81 PolarHBondContact N-O 2.81Å; A28-N81 WeakPolarHBondContact O-CB 3.3Å
29	S	95.1	Very high	95.2	Very high	53 Å²	53	43.6 Å²	43.6	37%	0.371	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.1	174.3	69	0	0	0	0	111.4	V6 Q7 F31	V6-S29 WeakPolarHBondContact CA-O 3.37Å; Q7-S29 WeakPolarHBondContact CB-OG 3.22Å; Q7-S29 PolarHBondContact N-O 3.08Å; Q7-S29 PolarHBondContact O-N 2.91Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 WeakPolarHBondContact O-CD1 3.44Å; S29-F31 PolarHBondContact O-N 3.48Å
30	G	92.6	Very high	95.2	Very high	33 Å²	33	41.2 Å²	41.2	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	78.9	6.9	-179.5	0	0	0	0	0	115.5	V6	V6-G30 WeakPolarHBondContact CG2-O 3.28Å
31	F	90.2	Very high	95.2	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.136	20%	0.199	C	C	.	.	S	Bend	trans	-155	162.6	170.4	67.7	-78.2	0	0	0	112	V6 L8 A28 S29 F33 Y36 M38 R102	V6-F31 HydrophobicContact CG1-CD1 3.69Å; V6-F31 HydrophobicContact CG1-CE1 3.99Å; V6-F31 HydrophobicContact CG2-CB 4.49Å; V6-F31 HydrophobicContact CG2-CD1 4.42Å; L8-F31 HydrophobicContact CD2-CE1 3.85Å; L8-F31 HydrophobicContact CD2-CZ 3.94Å; A28-F31 HydrophobicContact CB-CE1 3.74Å; A28-F31 HydrophobicContact CB-CZ 3.67Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 WeakPolarHBondContact O-CD1 3.44Å; S29-F31 PolarHBondContact O-N 3.48Å; F31-F33 HydrophobicContact CE2-CB 4.37Å; F31-F33 HydrophobicContact CE2-CD2 4.22Å; F31-F33 HydrophobicContact CZ-CD2 4.16Å; F31-F33 PolarHBondContact O-N 2.98Å; F31-F33 VanDerWaalsContact O-N 3.09Å; F31-Y36 AromaticContact CD2-CD2 3.6Å; F31-Y36 HydrophobicContact CD2-CD2 3.6Å; F31-Y36 AromaticContact CD2-CE2 3.92Å; F31-Y36 HydrophobicContact CD2-CE2 3.92Å; F31-Y36 AromaticContact CE2-CD2 3.98Å; F31-Y36 HydrophobicContact CE2-CD2 3.98Å; F31-M38 HydrophobicContact CE2-SD 4.43Å; F31-M38 HydrophobicContact CZ-SD 4.34Å; F31-R102 HydrophobicContact CE2-CG 4.01Å; F31-R102 HydrophobicContact CZ-CG 4.23Å
32	T	92.4	Very high	95.2	Very high	79 Å²	79	32 Å²	32	49%	0.485	18%	0.183	S	C	.	.			trans	-73.5	96.9	172.6	-50.8	0	0	0	0	110.2	S34 N35 Y36	T32-S34 WeakPolarHBondContact CG2-OG 3.23Å; T32-S34 PolarHBondContact O-N 2.82Å; T32-N35 WeakPolarHBondContact O-CB 3.48Å; T32-N35 PolarHBondContact O-N 3.25Å; T32-Y36 WeakPolarHBondContact O-CD2 3.27Å
33	F	93.1	Very high	95.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55	-35.8	-175.5	-179.4	-106.3	0	0	0	113.9	A28 F31 N35 Y36 M38 R76 N78 N81 L83	A28-F33 HydrophobicContact CB-CD2 3.55Å; A28-F33 HydrophobicContact CB-CE2 4.07Å; A28-F33 HydrophobicContact CB-CG 4.41Å; F31-F33 HydrophobicContact CE2-CB 4.37Å; F31-F33 HydrophobicContact CE2-CD2 4.22Å; F31-F33 HydrophobicContact CZ-CD2 4.16Å; F31-F33 PolarHBondContact O-N 2.98Å; F31-F33 VanDerWaalsContact O-N 3.09Å; F33-N35 PolarHBondContact O-N 3.4Å; F33-Y36 PolarHBondContact O-N 3.36Å; F33-M38 HydrophobicContact CD2-CG 4.23Å; F33-M38 HydrophobicContact CD2-SD 4.12Å; F33-M38 HydrophobicContact CE2-CE 3.96Å; F33-M38 HydrophobicContact CE2-CG 3.54Å; F33-M38 HydrophobicContact CE2-SD 3.84Å; F33-M38 HydrophobicContact CZ-CG 3.92Å; F33-R76 HydrophobicContact CE1-CB 4.19Å; F33-R76 HydrophobicContact CZ-CB 4.32Å; F33-R76 PolarHBondContact O-NH2 3.31Å; F33-N78 WeakPolarHBondContact CD1-OD1 3.2Å; F33-N78 WeakPolarHBondContact CE1-OD1 3.38Å; F33-N81 HydrophobicContact CB-CB 3.9Å; F33-N81 VanDerWaalsContact CB-OD1 3.3Å; F33-N81 WeakPolarHBondContact CB-OD1 3.49Å; F33-N81 HydrophobicContact CD1-CB 4.45Å; F33-N81 HydrophobicContact CG-CB 4.14Å; F33-L83 HydrophobicContact CE2-CB 4.45Å; F33-L83 HydrophobicContact CZ-CB 4.16Å
34	S	92.9	Very high	95.2	Very high	44 Å²	44	29.3 Å²	29.3	31%	0.308	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-71.5	-3	179	60	0	0	0	0	115.1	T32 Y57	T32-S34 WeakPolarHBondContact CG2-OG 3.23Å; T32-S34 PolarHBondContact O-N 2.82Å; S34-Y57 WeakPolarHBondContact O-CB 3.48Å; S34-Y57 WeakPolarHBondContact O-CD2 3.42Å
35	N	91.1	Very high	95.1	Very high	103 Å²	103	34.4 Å²	34.4	55%	0.551	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-95.3	-5.6	177.5	-67.8	1.4	0	0	0	112.9	T32 F33	T32-N35 WeakPolarHBondContact O-CB 3.48Å; T32-N35 PolarHBondContact O-N 3.25Å; F33-N35 PolarHBondContact O-N 3.4Å
36	Y	91.1	Very high	94.9	Very high	47 Å²	47	37.4 Å²	37.4	18%	0.184	25%	0.246	C	C	.	.	S	Bend	trans	-128.8	147.2	-170.9	-63.1	-86.8	0	0	0	112.9	F31 T32 F33 Y57 R76 R102 Y104	F31-Y36 AromaticContact CD2-CD2 3.6Å; F31-Y36 HydrophobicContact CD2-CD2 3.6Å; F31-Y36 AromaticContact CD2-CE2 3.92Å; F31-Y36 HydrophobicContact CD2-CE2 3.92Å; F31-Y36 AromaticContact CE2-CD2 3.98Å; F31-Y36 HydrophobicContact CE2-CD2 3.98Å; T32-Y36 WeakPolarHBondContact O-CD2 3.27Å; F33-Y36 PolarHBondContact O-N 3.36Å; Y36-Y57 VanDerWaalsContact O-CA 3.31Å; Y36-Y57 WeakPolarHBondContact O-CA 3.36Å; Y36-R76 PolarHBondContact O-NH1 3.3Å; Y36-R102 HydrophobicContact CD1-CG 3.98Å; Y36-R102 HydrophobicContact CD2-CG 4.43Å; Y36-R102 HydrophobicContact CG-CG 3.78Å; Y36-Y104 HydrophobicContact CD1-CE1 4.36Å; Y36-Y104 HydrophobicContact CE1-CE1 4.07Å
37	G	92.6	Very high	94.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.4	162.7	0	0	0	0	0	109.7	I55 G103	G37-I55 WeakPolarHBondContact CA-O 3.32Å; G37-G103 CarbonylContact C-O 3.53Å; G37-G103 WeakPolarHBondContact CA-O 3.45Å; G37-G103 PolarHBondContact N-O 3.2Å; G37-G103 PolarHBondContact O-N 3.2Å
38	M	94.8	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.3	-176.1	-64.6	-59.8	-56.5	0	0	110	L8 F31 F33 L54 I55 L83 R102	L8-M38 HydrophobicContact CD1-CE 4.46Å; L8-M38 HydrophobicContact CD2-CE 4.02Å; F31-M38 HydrophobicContact CE2-SD 4.43Å; F31-M38 HydrophobicContact CZ-SD 4.34Å; F33-M38 HydrophobicContact CD2-CG 4.23Å; F33-M38 HydrophobicContact CD2-SD 4.12Å; F33-M38 HydrophobicContact CE2-CE 3.96Å; F33-M38 HydrophobicContact CE2-CG 3.54Å; F33-M38 HydrophobicContact CE2-SD 3.84Å; F33-M38 HydrophobicContact CZ-CG 3.92Å; M38-L54 WeakPolarHBondContact O-CA 3.46Å; M38-L54 WeakPolarHBondContact O-CD1 3.37Å; M38-I55 HydrophobicContact CB-CG2 4.21Å; M38-I55 PolarHBondContact N-O 2.84Å; M38-I55 PolarHBondContact O-N 3.27Å; M38-L83 HydrophobicContact CB-CD1 3.77Å; M38-L83 HydrophobicContact CB-CD2 3.84Å; M38-L83 HydrophobicContact CB-CG 4.3Å; M38-R102 HydrophobicContact CE-CB 4.43Å; M38-R102 HydrophobicContact SD-CB 4.15Å; M38-R102 HydrophobicContact SD-CG 4.09Å
39	H	95.8	Very high	94.5	Very high	22 Å²	22	48.3 Å²	48.3	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152	-173	-56.5	-88.8	0	0	0	111.2	W51 A53 L54 C100 A101	H39-W51 AromaticContact ND1-NE1 3.25Å; H39-W51 PolarHBondContact ND1-NE1 3.46Å; H39-A53 CarbonylContact C-O 3.45Å; H39-A53 VanDerWaalsContact CA-O 3.25Å; H39-A53 WeakPolarHBondContact CA-O 3.45Å; H39-L54 WeakPolarHBondContact CE1-CD1 3.32Å; H39-L54 WeakPolarHBondContact ND1-CD1 3.37Å; H39-C100 CarbonylContact O-C 3.5Å; H39-C100 VanDerWaalsContact O-CA 3.26Å; H39-C100 WeakPolarHBondContact O-CA 3.3Å; H39-A101 HydrophobicContact CB-CB 4.47Å; H39-A101 PolarHBondContact N-O 3.05Å; H39-A101 PolarHBondContact O-N 3.39Å
40	W	97.6	Very high	94.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.5	158.3	-81.4	98.4	0	0	0	109.8	D10 L24 C26 L52 A53 L83 L85 C100	D10-W40 WeakPolarHBondContact OD1-CH2 3.39Å; L24-W40 HydrophobicContact CB-CH2 3.66Å; L24-W40 HydrophobicContact CB-CZ2 3.84Å; L24-W40 HydrophobicContact CB-CZ3 4.27Å; L24-W40 HydrophobicContact CD1-CE3 4.33Å; L24-W40 HydrophobicContact CD1-CH2 4.21Å; L24-W40 HydrophobicContact CD1-CZ3 3.95Å; C26-W40 HydrophobicContact CB-CH2 4.13Å; C26-W40 HydrophobicContact CB-CZ2 3.94Å; W40-L52 HydrophobicContact CB-CB 4.4Å; W40-L52 HydrophobicContact CB-CD1 4.49Å; W40-L52 WeakPolarHBondContact O-CB 3.42Å; W40-L52 PolarHBondContact O-N 3.09Å; W40-A53 PolarHBondContact N-O 2.88Å; W40-A53 PolarHBondContact O-N 2.94Å; W40-L83 HydrophobicContact CG-CD2 4.35Å; W40-L85 HydrophobicContact CB-CD2 4.04Å; W40-L85 HydrophobicContact CD2-CB 4.03Å; W40-L85 HydrophobicContact CD2-CD2 4.11Å; W40-L85 HydrophobicContact CG-CB 4.01Å; W40-L85 HydrophobicContact CG-CD1 4.36Å; W40-L85 HydrophobicContact CG-CD2 3.87Å; W40-L85 HydrophobicContact CG-CG 4.32Å; W40-L85 HydrophobicContact CZ2-CB 4.34Å; W40-C100 HydrophobicContact CD2-CB 4.45Å; W40-C100 HydrophobicContact CE3-CB 4.44Å; W40-C100 HydrophobicContact CH2-CB 4.29Å; W40-C100 HydrophobicContact CZ2-CB 4.31Å; W40-C100 HydrophobicContact CZ3-CB 4.35Å
41	V	96.9	Very high	94.6	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.6	178.3	-177.5	0	0	0	0	106.9	L49 Q50 Y98 Y99 W116	V41-L49 HydrophobicContact CG1-CB 3.99Å; V41-L49 HydrophobicContact CG1-CD2 3.93Å; V41-Q50 CarbonylContact C-O 3.58Å; V41-Q50 WeakPolarHBondContact CA-O 3.28Å; V41-Q50 VanDerWaalsContact CG1-O 3.27Å; V41-Q50 WeakPolarHBondContact CG1-O 3.39Å; V41-Y98 WeakPolarHBondContact O-CA 3.43Å; V41-Y99 PolarHBondContact N-O 2.86Å; V41-Y99 PolarHBondContact O-N 3.09Å; V41-W116 HydrophobicContact CB-CH2 4.06Å; V41-W116 HydrophobicContact CB-CZ3 3.7Å; V41-W116 HydrophobicContact CG1-CH2 3.93Å; V41-W116 HydrophobicContact CG1-CZ3 3.86Å; V41-W116 HydrophobicContact CG2-CH2 3.81Å; V41-W116 HydrophobicContact CG2-CZ3 3.8Å
42	R	97.3	Very high	94.9	Very high	19 Å²	19	51.3 Å²	51.3	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.8	170.3	72.6	-178.7	-178.9	-169.5	2.6	112.5	Q50 L52 D94 A96 V97 Y98	R42-Q50 HydrophobicContact CG-CB 4.2Å; R42-Q50 PolarHBondContact N-O 2.8Å; R42-Q50 PolarHBondContact O-N 2.85Å; R42-L52 HydrophobicContact CB-CD1 3.8Å; R42-L52 HydrophobicContact CB-CG 4.4Å; R42-L52 HydrophobicContact CG-CD1 3.92Å; R42-L52 HydrophobicContact CG-CD2 3.85Å; R42-L52 HydrophobicContact CG-CG 4.09Å; R42-D94 IonicContact CZ-OD1 3.84Å; R42-D94 IonicContact NH1-OD1 2.81Å; R42-D94 PolarHBondContact NH1-OD1 3.28Å; R42-A96 HydrophobicContact CB-CB 3.82Å; R42-A96 HydrophobicContact CG-CB 4.14Å; R42-V97 CarbonylContact C-O 3.57Å; R42-V97 WeakPolarHBondContact CA-O 3.34Å; R42-Y98 HydrophobicContact CB-CD1 3.98Å; R42-Y98 HydrophobicContact CB-CD2 4.49Å; R42-Y98 HydrophobicContact CB-CE1 3.98Å; R42-Y98 HydrophobicContact CB-CE2 4.46Å; R42-Y98 HydrophobicContact CB-CG 4.23Å; R42-Y98 PolarHBondContact NH1-OH 3.07Å
43	Q	97.9	Very high	95.1	Very high	77 Å²	77	47.5 Å²	47.5	36%	0.36	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	105.5	170.2	-168.3	177.7	19.7	0	0	109.3	K47 L49 A96 V97 Y99	Q43-K47 WeakPolarHBondContact CG-O 3.34Å; Q43-L49 HydrophobicContact CB-CD2 4.16Å; Q43-A96 WeakPolarHBondContact O-CA 3.38Å; Q43-A96 WeakPolarHBondContact O-CB 3.45Å; Q43-V97 PolarHBondContact N-O 2.84Å; Q43-V97 PolarHBondContact O-N 3.13Å; Q43-Y99 HydrophobicContact CB-CE2 3.91Å; Q43-Y99 PolarHBondContact OE1-OH 3.3Å
44	A	97.2	Very high	95.2	Very high	16 Å²	16	48 Å²	48	13%	0.132	28%	0.277	C	S	.	.			trans	-75.9	154.5	172.7	0	0	0	0	0	110.5	G46 K47 A96	A44-G46 PolarHBondContact O-N 2.86Å; A44-K47 HydrophobicContact CB-CB 4.15Å; A44-K47 HydrophobicContact CB-CG 3.97Å; A44-K47 PolarHBondContact O-N 2.9Å; A44-A96 HydrophobicContact CB-CB 4.26Å
45	P	96	Very high	95.3	Very high	107 Å²	107	46 Å²	46	70%	0.695	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	127.8	176.3	-26.2	34.7	0	0	0	112	K47	P45-K47 PolarHBondContact O-N 3.37Å
46	G	96.1	Very high	95.4	Very high	88 Å²	88	41.4 Å²	41.4	91%	0.907	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	10.4	-179	0	0	0	0	0	115.4	A44	A44-G46 PolarHBondContact O-N 2.86Å
47	K	95.1	Very high	95.5	Very high	134 Å²	134	44.7 Å²	44.7	58%	0.583	25%	0.251	S	S	*	.			trans	-114.4	158.7	176.1	-57.8	-63.7	-176.7	-179.9	0	111.3	Q43 A44 P45	Q43-K47 WeakPolarHBondContact CG-O 3.34Å; A44-K47 HydrophobicContact CB-CB 4.15Å; A44-K47 HydrophobicContact CB-CG 3.97Å; A44-K47 PolarHBondContact O-N 2.9Å; P45-K47 PolarHBondContact O-N 3.37Å
48	G	94.4	Very high	95.4	Very high	51 Å²	51	47.2 Å²	47.2	53%	0.526	26%	0.264	S	S	.	.			trans	-73.2	179.3	168.5	0	0	0	0	0	112.5	Q50	G48-Q50 PolarHBondContact O-N 2.7Å
49	L	94.5	Very high	95.3	Very high	100 Å²	100	48.2 Å²	48.2	52%	0.524	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130.9	172.8	-69.4	168.6	0	0	0	110.6	V41 Q43 Y99 W116	V41-L49 HydrophobicContact CG1-CB 3.99Å; V41-L49 HydrophobicContact CG1-CD2 3.93Å; Q43-L49 HydrophobicContact CB-CD2 4.16Å; L49-Y99 HydrophobicContact CD2-CD2 4.38Å; L49-Y99 HydrophobicContact CD2-CE2 4.31Å; L49-W116 HydrophobicContact CD1-CH2 4Å; L49-W116 HydrophobicContact CD1-CZ2 4.45Å; L49-W116 HydrophobicContact CD2-CH2 4.48Å; L49-W116 HydrophobicContact CD2-CZ3 4.35Å
50	Q	95.3	Very high	95.2	Very high	77 Å²	77	56.9 Å²	56.9	36%	0.36	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.9	179.1	-63.7	-178.4	-43.9	0	0	109.5	V41 R42 G48	V41-Q50 CarbonylContact C-O 3.58Å; V41-Q50 WeakPolarHBondContact CA-O 3.28Å; V41-Q50 VanDerWaalsContact CG1-O 3.27Å; V41-Q50 WeakPolarHBondContact CG1-O 3.39Å; R42-Q50 HydrophobicContact CG-CB 4.2Å; R42-Q50 PolarHBondContact N-O 2.8Å; R42-Q50 PolarHBondContact O-N 2.85Å; G48-Q50 PolarHBondContact O-N 2.7Å
51	W	94.9	Very high	95.1	Very high	103 Å²	103	60.9 Å²	60.9	39%	0.39	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.8	173.7	179.2	88.2	0	0	0	110.7	H39 L54 A65	H39-W51 AromaticContact ND1-NE1 3.25Å; H39-W51 PolarHBondContact ND1-NE1 3.46Å; W51-L54 HydrophobicContact CZ2-CB 3.66Å; W51-A65 HydrophobicContact CE3-CB 3.89Å; W51-A65 HydrophobicContact CZ3-CB 3.98Å; W51-A65 VanDerWaalsContact CZ3-N 3.27Å; W51-A65 WeakPolarHBondContact O-CB 3.34Å
52	L	96.1	Very high	95	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-50.4	-175.8	-60.8	172.1	0	0	0	113	W40 R42 Y64 A65 V68 F72 L85 Y98	W40-L52 HydrophobicContact CB-CB 4.4Å; W40-L52 HydrophobicContact CB-CD1 4.49Å; W40-L52 WeakPolarHBondContact O-CB 3.42Å; W40-L52 PolarHBondContact O-N 3.09Å; R42-L52 HydrophobicContact CB-CD1 3.8Å; R42-L52 HydrophobicContact CB-CG 4.4Å; R42-L52 HydrophobicContact CG-CD1 3.92Å; R42-L52 HydrophobicContact CG-CD2 3.85Å; R42-L52 HydrophobicContact CG-CG 4.09Å; L52-Y64 CarbonylContact O-C 3.54Å; L52-Y64 WeakPolarHBondContact O-CA 3.13Å; L52-A65 PolarHBondContact O-N 2.98Å; L52-V68 HydrophobicContact CD2-CG1 3.78Å; L52-V68 WeakPolarHBondContact O-CG2 3.4Å; L52-F72 HydrophobicContact CD1-CE2 4.06Å; L52-F72 HydrophobicContact CD2-CE2 4.28Å; L52-L85 HydrophobicContact CD1-CD2 4.4Å; L52-Y98 HydrophobicContact CD1-CD1 3.72Å; L52-Y98 HydrophobicContact CD1-CE1 3.55Å
53	A	96.2	Very high	94.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156.5	-174.6	0	0	0	0	0	112.4	H39 W40 Y63 Y64 I74	H39-A53 CarbonylContact C-O 3.45Å; H39-A53 VanDerWaalsContact CA-O 3.25Å; H39-A53 WeakPolarHBondContact CA-O 3.45Å; W40-A53 PolarHBondContact N-O 2.88Å; W40-A53 PolarHBondContact O-N 2.94Å; A53-Y63 CarbonylContact C-O 3.4Å; A53-Y63 WeakPolarHBondContact CA-O 3.16Å; A53-Y63 WeakPolarHBondContact CB-O 3.36Å; A53-Y64 HydrophobicContact CB-CD1 3.75Å; A53-Y64 HydrophobicContact CB-CE1 4.05Å; A53-I74 HydrophobicContact CB-CB 4.09Å; A53-I74 HydrophobicContact CB-CD1 3.94Å; A53-I74 HydrophobicContact CB-CG2 4.2Å
54	L	94.8	Very high	94.8	Very high	11 Å²	11	68.4 Å²	68.4	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.2	172	168.1	63.9	0	0	0	109.4	M38 H39 W51 K62 Y63	M38-L54 WeakPolarHBondContact O-CA 3.46Å; M38-L54 WeakPolarHBondContact O-CD1 3.37Å; H39-L54 WeakPolarHBondContact CE1-CD1 3.32Å; H39-L54 WeakPolarHBondContact ND1-CD1 3.37Å; W51-L54 HydrophobicContact CZ2-CB 3.66Å; L54-K62 WeakPolarHBondContact O-CA 2.98Å; L54-Y63 HydrophobicContact CB-CD2 4.39Å; L54-Y63 HydrophobicContact CD2-CD2 3.88Å; L54-Y63 HydrophobicContact CD2-CE2 4.4Å; L54-Y63 HydrophobicContact CG-CD2 4.24Å; L54-Y63 PolarHBondContact N-O 2.83Å; L54-Y63 PolarHBondContact O-N 3.47Å
55	I	95.6	Very high	94.7	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.1	166.6	-172.2	162.8	0	0	0	110.2	G37 M38 D61 K62 I74 R76 L83	G37-I55 WeakPolarHBondContact CA-O 3.32Å; M38-I55 HydrophobicContact CB-CG2 4.21Å; M38-I55 PolarHBondContact N-O 2.84Å; M38-I55 PolarHBondContact O-N 3.27Å; I55-D61 WeakPolarHBondContact CA-O 3.35Å; I55-K62 HydrophobicContact CD1-CD 4.34Å; I55-K62 HydrophobicContact CD1-CG 4.15Å; I55-K62 HydrophobicContact CG1-CG 4.09Å; I55-I74 HydrophobicContact CB-CD1 3.97Å; I55-I74 HydrophobicContact CB-CG1 4.12Å; I55-I74 HydrophobicContact CB-CG2 4.02Å; I55-I74 HydrophobicContact CG2-CD1 3.72Å; I55-I74 HydrophobicContact CG2-CG1 3.93Å; I55-R76 HydrophobicContact CD1-CB 4.27Å; I55-R76 HydrophobicContact CD1-CG 3.8Å; I55-R76 HydrophobicContact CG1-CG 4.37Å; I55-R76 HydrophobicContact CG2-CB 4.41Å; I55-L83 HydrophobicContact CG2-CD1 3.49Å; I55-L83 VanDerWaalsContact CG2-CD1 3.49Å
56	S	93.9	Very high	94.6	Very high	5 Å²	5	70 Å²	70	4%	0.035	36%	0.359	C	S	.	.			trans	-61.6	163.4	178.9	62.6	0	0	0	0	112.3	D58 G59 R60 D61 R76	S56-D58 WeakPolarHBondContact CB-OD1 3.01Å; S56-D58 PolarHBondContact O-N 2.93Å; S56-D58 PolarHBondContact OG-OD1 3.14Å; S56-G59 PolarHBondContact O-N 3.03Å; S56-G59 PolarHBondContact OG-N 3.16Å; S56-R60 PolarHBondContact OG-N 3.15Å; S56-R60 VanDerWaalsContact OG-N 3.14Å; S56-D61 PolarHBondContact N-O 2.9Å; S56-D61 PolarHBondContact OG-N 3.35Å; S56-R76 WeakPolarHBondContact O-CD 3.31Å; S56-R76 PolarHBondContact O-NH1 2.87Å
57	Y	92.8	Very high	94.4	Very high	117 Å²	117	69.7 Å²	69.7	46%	0.459	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.7	-177.4	72.8	-96.1	0	0	0	113.6	S34 Y36 R76 N78 T105	S34-Y57 WeakPolarHBondContact O-CB 3.48Å; S34-Y57 WeakPolarHBondContact O-CD2 3.42Å; Y36-Y57 VanDerWaalsContact O-CA 3.31Å; Y36-Y57 WeakPolarHBondContact O-CA 3.36Å; Y57-R76 PolarHBondContact O-NE 2.98Å; Y57-R76 PolarHBondContact O-NH1 2.96Å; Y57-R76 PolarHBondContact O-NH2 2.91Å; Y57-N78 PolarHBondContact O-ND2 2.88Å; Y57-T105 HydrophobicContact CD1-CG2 4.27Å
58	D	90.4	Very high	94.4	Very high	54 Å²	54	63.3 Å²	63.3	29%	0.289	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-3.8	177.7	64.6	-3.1	0	0	0	113.8	S56 R60	S56-D58 WeakPolarHBondContact CB-OD1 3.01Å; S56-D58 PolarHBondContact O-N 2.93Å; S56-D58 PolarHBondContact OG-OD1 3.14Å; D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 HydrophobicContact CB-CG 4.48Å; D58-R60 PolarHBondContact O-N 3.15Å; D58-R60 WeakPolarHBondContact OD1-CB 3.26Å; D58-R60 PolarHBondContact OD1-N 3.43Å; D58-R60 VanDerWaalsContact OD1-N 3.11Å; D58-R60 WeakPolarHBondContact OD2-CD 3.44Å; D58-R60 WeakPolarHBondContact OD2-CG 3.48Å; D58-R60 IonicContact OD2-CZ 3.83Å; D58-R60 IonicContact OD2-NE 3.51Å; D58-R60 IonicContact OD2-NH1 3.77Å
59	G	93.5	Very high	94.4	Very high	21 Å²	21	67.9 Å²	67.9	22%	0.216	32%	0.32	C	S	.	.	S	Bend	trans	80.6	1.9	179	0	0	0	0	0	115.8	S56	S56-G59 PolarHBondContact O-N 3.03Å; S56-G59 PolarHBondContact OG-N 3.16Å
60	R	93.5	Very high	94.4	Very high	204 Å²	204	66.9 Å²	66.9	77%	0.77	33%	0.334	S	S	*	.			trans	-74.7	-47.5	-176.5	-66.9	-174.8	-176.9	162.3	-3.9	112.8	S56 D58	S56-R60 PolarHBondContact OG-N 3.15Å; S56-R60 VanDerWaalsContact OG-N 3.14Å; D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 HydrophobicContact CB-CG 4.48Å; D58-R60 PolarHBondContact O-N 3.15Å; D58-R60 WeakPolarHBondContact OD1-CB 3.26Å; D58-R60 PolarHBondContact OD1-N 3.43Å; D58-R60 VanDerWaalsContact OD1-N 3.11Å; D58-R60 WeakPolarHBondContact OD2-CD 3.44Å; D58-R60 WeakPolarHBondContact OD2-CG 3.48Å; D58-R60 IonicContact OD2-CZ 3.83Å; D58-R60 IonicContact OD2-NE 3.51Å; D58-R60 IonicContact OD2-NH1 3.77Å
61	D	94.2	Very high	94.5	Very high	84 Å²	84	66.1 Å²	66.1	45%	0.449	33%	0.328	S	S	.	.			trans	-95.7	131.8	-177.3	-57.5	-48.2	0	0	0	110.5	I55 S56 Y63	I55-D61 WeakPolarHBondContact CA-O 3.35Å; S56-D61 PolarHBondContact N-O 2.9Å; S56-D61 PolarHBondContact OG-N 3.35Å; D61-Y63 HydrophobicContact CB-CE2 3.75Å
62	K	95.5	Very high	94.6	Very high	85 Å²	85	61.6 Å²	61.6	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.4	177.4	-59.1	-176.5	-172.8	-169.1	0	109.8	L54 I55 Y64 I74	L54-K62 WeakPolarHBondContact O-CA 2.98Å; I55-K62 HydrophobicContact CD1-CD 4.34Å; I55-K62 HydrophobicContact CD1-CG 4.15Å; I55-K62 HydrophobicContact CG1-CG 4.09Å; K62-Y64 HydrophobicContact CB-CE2 3.88Å; K62-I74 HydrophobicContact CB-CG2 4.25Å; K62-I74 HydrophobicContact CD-CG2 4.12Å; K62-I74 WeakPolarHBondContact CE-O 3.38Å; K62-I74 HydrophobicContact CG-CG2 4.18Å; K62-I74 PolarHBondContact NZ-O 3.31Å
63	Y	94.4	Very high	94.7	Very high	121 Å²	121	65.1 Å²	65.1	48%	0.475	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.9	177.8	-55.1	-89.1	0	0	0	109.3	A53 L54 D61	A53-Y63 CarbonylContact C-O 3.4Å; A53-Y63 WeakPolarHBondContact CA-O 3.16Å; A53-Y63 WeakPolarHBondContact CB-O 3.36Å; L54-Y63 HydrophobicContact CB-CD2 4.39Å; L54-Y63 HydrophobicContact CD2-CD2 3.88Å; L54-Y63 HydrophobicContact CD2-CE2 4.4Å; L54-Y63 HydrophobicContact CG-CD2 4.24Å; L54-Y63 PolarHBondContact N-O 2.83Å; L54-Y63 PolarHBondContact O-N 3.47Å; D61-Y63 HydrophobicContact CB-CE2 3.75Å
64	Y	96.4	Very high	94.8	Very high	57 Å²	57	65.1 Å²	65.1	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.6	-177.8	-60.4	-87.2	0	0	0	109.6	L52 A53 K62 F72 I74	L52-Y64 CarbonylContact O-C 3.54Å; L52-Y64 WeakPolarHBondContact O-CA 3.13Å; A53-Y64 HydrophobicContact CB-CD1 3.75Å; A53-Y64 HydrophobicContact CB-CE1 4.05Å; K62-Y64 HydrophobicContact CB-CE2 3.88Å; Y64-F72 WeakPolarHBondContact CE1-O 3.25Å; Y64-I74 HydrophobicContact CE1-CB 4.27Å; Y64-I74 HydrophobicContact CE1-CG2 3.87Å; Y64-I74 PolarHBondContact OH-N 2.87Å; Y64-I74 VanDerWaalsContact OH-N 3.14Å
65	A	94.9	Very high	95	Very high	17 Å²	17	66.3 Å²	66.3	14%	0.14	34%	0.339	C	S	.	.			trans	-67.5	145.6	167.6	0	0	0	0	0	109.6	W51 L52 S67 V68 K69	W51-A65 HydrophobicContact CE3-CB 3.89Å; W51-A65 HydrophobicContact CZ3-CB 3.98Å; W51-A65 VanDerWaalsContact CZ3-N 3.27Å; W51-A65 WeakPolarHBondContact O-CB 3.34Å; L52-A65 PolarHBondContact O-N 2.98Å; A65-S67 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact O-N 3.15Å; A65-V68 HydrophobicContact CB-CG2 4.2Å; A65-V68 WeakPolarHBondContact O-CG2 3.4Å; A65-V68 PolarHBondContact O-N 2.94Å; A65-K69 PolarHBondContact O-N 3.01Å; A65-K69 VanDerWaalsContact O-N 3.15Å
66	D	94.4	Very high	95.1	Very high	140 Å²	140	67.9 Å²	67.9	75%	0.749	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-57.4	-35.1	-177.7	-66.4	-37.2	0	0	0	112.4	V68 K69	D66-V68 PolarHBondContact O-N 2.87Å; D66-V68 VanDerWaalsContact O-N 3.16Å; D66-K69 PolarHBondContact O-N 2.74Å
67	S	92.5	Very high	95.3	Very high	81 Å²	81	69.7 Å²	69.7	57%	0.566	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-61.3	-20.6	178.2	61.6	0	0	0	0	115.4	A65	A65-S67 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact O-N 3.15Å
68	V	95.1	Very high	95.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-122.1	-2.4	-176	-60.4	0	0	0	0	113.7	L52 A65 D66 G70 R71 F72	L52-V68 HydrophobicContact CD2-CG1 3.78Å; L52-V68 WeakPolarHBondContact O-CG2 3.4Å; A65-V68 HydrophobicContact CB-CG2 4.2Å; A65-V68 WeakPolarHBondContact O-CG2 3.4Å; A65-V68 PolarHBondContact O-N 2.94Å; D66-V68 PolarHBondContact O-N 2.87Å; D66-V68 VanDerWaalsContact O-N 3.16Å; V68-G70 PolarHBondContact O-N 2.02Å; V68-R71 PolarHBondContact O-N 3.08Å; V68-R71 VanDerWaalsContact O-N 3.07Å; V68-F72 HydrophobicContact CB-CB 3.99Å; V68-F72 HydrophobicContact CB-CD1 3.76Å; V68-F72 HydrophobicContact CB-CD2 3.75Å; V68-F72 HydrophobicContact CB-CE1 4.07Å; V68-F72 HydrophobicContact CB-CE2 4.1Å; V68-F72 HydrophobicContact CB-CG 3.58Å; V68-F72 HydrophobicContact CB-CZ 4.26Å; V68-F72 HydrophobicContact CG1-CD1 4.1Å; V68-F72 HydrophobicContact CG1-CD2 3.83Å; V68-F72 HydrophobicContact CG1-CE1 3.89Å; V68-F72 HydrophobicContact CG1-CE2 3.65Å; V68-F72 HydrophobicContact CG1-CG 4.07Å; V68-F72 HydrophobicContact CG1-CZ 3.69Å; V68-F72 HydrophobicContact CG2-CB 4.18Å; V68-F72 HydrophobicContact CG2-CD2 4.11Å; V68-F72 HydrophobicContact CG2-CG 4.15Å; V68-F72 PolarHBondContact O-N 2.87Å
69	K	93.8	Very high	95.7	Very high	146 Å²	146	74.8 Å²	74.8	64%	0.635	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	131.7	-178.8	-165.3	172.1	-176.7	177.3	0	110.1	A65 D66 R71	A65-K69 PolarHBondContact O-N 3.01Å; A65-K69 VanDerWaalsContact O-N 3.15Å; D66-K69 PolarHBondContact O-N 2.74Å; K69-R71 VanDerWaalsContact C-N 3.27Å; K69-R71 PolarHBondContact O-N 2.89Å
70	G	94.3	Very high	95.8	Very high	80 Å²	80	79.7 Å²	79.7	83%	0.825	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-16.8	-177.3	0	0	0	0	0	115.4	V68	V68-G70 PolarHBondContact O-N 2.02Å
71	R	96.9	Very high	96	Very high	60 Å²	60	72.9 Å²	72.9	23%	0.226	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-36.9	176.1	-61.1	-166.2	-56.3	117.9	-0.7	112.8	V68 K69 N88 S89 D94	V68-R71 PolarHBondContact O-N 3.08Å; V68-R71 VanDerWaalsContact O-N 3.07Å; K69-R71 VanDerWaalsContact C-N 3.27Å; K69-R71 PolarHBondContact O-N 2.89Å; R71-N88 VanDerWaalsContact O-CB 3.31Å; R71-N88 WeakPolarHBondContact O-CB 3.44Å; R71-N88 PolarHBondContact O-N 3Å; R71-N88 PolarHBondContact O-ND2 3.41Å; R71-S89 PolarHBondContact NH1-O 2.95Å; R71-S89 VanDerWaalsContact NH1-O 3.14Å; R71-D94 IonicContact CZ-OD1 2.98Å; R71-D94 IonicContact CZ-OD2 3.37Å; R71-D94 IonicContact NH1-OD1 3.87Å; R71-D94 IonicContact NH1-OD2 3.85Å; R71-D94 PolarHBondContact NH1-OD2 2.93Å; R71-D94 IonicContact NH2-OD1 3.76Å; R71-D94 PolarHBondContact NH2-OD1 3.05Å; R71-D94 IonicContact NH2-OD2 2.7Å; R71-D94 PolarHBondContact NH2-OD2 2.87Å
72	F	97.6	Very high	96.2	Very high	8 Å²	8	69.7 Å²	69.7	4%	0.035	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.1	-174.8	-72.3	35	0	0	0	109.7	L52 Y64 V68 L85 Q86 V87 Y98	L52-F72 HydrophobicContact CD1-CE2 4.06Å; L52-F72 HydrophobicContact CD2-CE2 4.28Å; Y64-F72 WeakPolarHBondContact CE1-O 3.25Å; V68-F72 HydrophobicContact CB-CB 3.99Å; V68-F72 HydrophobicContact CB-CD1 3.76Å; V68-F72 HydrophobicContact CB-CD2 3.75Å; V68-F72 HydrophobicContact CB-CE1 4.07Å; V68-F72 HydrophobicContact CB-CE2 4.1Å; V68-F72 HydrophobicContact CB-CG 3.58Å; V68-F72 HydrophobicContact CB-CZ 4.26Å; V68-F72 HydrophobicContact CG1-CD1 4.1Å; V68-F72 HydrophobicContact CG1-CD2 3.83Å; V68-F72 HydrophobicContact CG1-CE1 3.89Å; V68-F72 HydrophobicContact CG1-CE2 3.65Å; V68-F72 HydrophobicContact CG1-CG 4.07Å; V68-F72 HydrophobicContact CG1-CZ 3.69Å; V68-F72 HydrophobicContact CG2-CB 4.18Å; V68-F72 HydrophobicContact CG2-CD2 4.11Å; V68-F72 HydrophobicContact CG2-CG 4.15Å; V68-F72 PolarHBondContact O-N 2.87Å; F72-L85 HydrophobicContact CB-CD1 4.27Å; F72-L85 HydrophobicContact CD2-CD1 4.28Å; F72-L85 HydrophobicContact CD2-CD2 3.92Å; F72-L85 HydrophobicContact CD2-CG 4.35Å; F72-L85 HydrophobicContact CE2-CD2 4.28Å; F72-Q86 CarbonylContact C-O 3.49Å; F72-Q86 WeakPolarHBondContact CA-O 3.47Å; F72-V87 HydrophobicContact CD1-CG1 3.95Å; F72-V87 HydrophobicContact CD2-CG2 4.33Å; F72-V87 HydrophobicContact CE1-CG1 3.49Å; F72-V87 VanDerWaalsContact CE1-CG1 3.49Å; F72-V87 HydrophobicContact CE2-CG1 4.29Å; F72-V87 HydrophobicContact CE2-CG2 4.23Å; F72-V87 HydrophobicContact CZ-CG1 3.66Å; F72-V87 HydrophobicContact CZ-CG2 4.41Å; F72-Y98 HydrophobicContact CE2-CE1 4.09Å
73	N	98.1	Very high	96.4	Very high	75 Å²	75	65.6 Å²	65.6	40%	0.401	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	113.8	177.5	-177.1	-10.2	0	0	0	110.3	Q86	N73-Q86 HydrophobicContact CB-CB 4.24Å; N73-Q86 PolarHBondContact N-O 2.73Å; N73-Q86 PolarHBondContact O-N 3.39Å
74	I	98.4	Very high	96.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.4	177.2	-166.1	170.7	0	0	0	110.2	A53 I55 K62 Y64 L83 Y84 L85	A53-I74 HydrophobicContact CB-CB 4.09Å; A53-I74 HydrophobicContact CB-CD1 3.94Å; A53-I74 HydrophobicContact CB-CG2 4.2Å; I55-I74 HydrophobicContact CB-CD1 3.97Å; I55-I74 HydrophobicContact CB-CG1 4.12Å; I55-I74 HydrophobicContact CB-CG2 4.02Å; I55-I74 HydrophobicContact CG2-CD1 3.72Å; I55-I74 HydrophobicContact CG2-CG1 3.93Å; K62-I74 HydrophobicContact CB-CG2 4.25Å; K62-I74 HydrophobicContact CD-CG2 4.12Å; K62-I74 WeakPolarHBondContact CE-O 3.38Å; K62-I74 HydrophobicContact CG-CG2 4.18Å; K62-I74 PolarHBondContact NZ-O 3.31Å; Y64-I74 HydrophobicContact CE1-CB 4.27Å; Y64-I74 HydrophobicContact CE1-CG2 3.87Å; Y64-I74 PolarHBondContact OH-N 2.87Å; Y64-I74 VanDerWaalsContact OH-N 3.14Å; I74-L83 HydrophobicContact CD1-CD1 4.02Å; I74-L83 HydrophobicContact CG1-CD1 3.94Å; I74-Y84 WeakPolarHBondContact CA-O 3.47Å; I74-L85 HydrophobicContact CB-CD1 4.23Å
75	S	98.4	Very high	96.7	Very high	36 Å²	36	58.9 Å²	58.9	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.2	175.5	56.2	0	0	0	0	110.6	L83 Y84	S75-L83 WeakPolarHBondContact O-CD1 3.48Å; S75-Y84 PolarHBondContact N-O 3.35Å; S75-Y84 PolarHBondContact O-N 3.07Å
76	R	98	Very high	96.8	Very high	34 Å²	34	60.6 Å²	60.6	13%	0.128	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.9	-177.7	66.8	-177.7	-70	151.4	2	110.8	F33 Y36 I55 S56 Y57 N78 T82 L83	F33-R76 HydrophobicContact CE1-CB 4.19Å; F33-R76 HydrophobicContact CZ-CB 4.32Å; F33-R76 PolarHBondContact O-NH2 3.31Å; Y36-R76 PolarHBondContact O-NH1 3.3Å; I55-R76 HydrophobicContact CD1-CB 4.27Å; I55-R76 HydrophobicContact CD1-CG 3.8Å; I55-R76 HydrophobicContact CG1-CG 4.37Å; I55-R76 HydrophobicContact CG2-CB 4.41Å; S56-R76 WeakPolarHBondContact O-CD 3.31Å; S56-R76 PolarHBondContact O-NH1 2.87Å; Y57-R76 PolarHBondContact O-NE 2.98Å; Y57-R76 PolarHBondContact O-NH1 2.96Å; Y57-R76 PolarHBondContact O-NH2 2.91Å; R76-N78 PolarHBondContact NE-OD1 2.83Å; R76-N78 PolarHBondContact NH2-OD1 2.93Å; R76-T82 WeakPolarHBondContact CA-O 3.19Å; R76-L83 HydrophobicContact CB-CD1 4.27Å
77	D	97.8	Very high	97	Very high	44 Å²	44	54 Å²	54	24%	0.235	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	109.5	170.4	-175.7	-26.4	0	0	0	108.2	Y79 K80 N81 T82 Y84	D77-Y79 VanDerWaalsContact C-N 3.34Å; D77-Y79 WeakPolarHBondContact OD1-CA 3.42Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.3Å; D77-Y79 PolarHBondContact OD1-N 2.86Å; D77-K80 HydrophobicContact CB-CB 4.17Å; D77-K80 PolarHBondContact OD1-N 3.07Å; D77-K80 WeakPolarHBondContact OD2-CD 3.39Å; D77-K80 VanDerWaalsContact OD2-CE 3.27Å; D77-K80 WeakPolarHBondContact OD2-CE 3.15Å; D77-K80 WeakPolarHBondContact OD2-CG 3.17Å; D77-K80 IonicContact OD2-NZ 3.5Å; D77-N81 PolarHBondContact O-N 3.22Å; D77-T82 PolarHBondContact N-O 3.25Å; D77-T82 PolarHBondContact O-N 3.04Å; D77-Y84 HydrophobicContact CB-CE2 4.02Å
78	N	96.3	Very high	97.2	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.5	-178.8	-77.1	-9.2	0	0	0	113.1	F33 Y57 R76 N81	F33-N78 WeakPolarHBondContact CD1-OD1 3.2Å; F33-N78 WeakPolarHBondContact CE1-OD1 3.38Å; Y57-N78 PolarHBondContact O-ND2 2.88Å; R76-N78 PolarHBondContact NE-OD1 2.83Å; R76-N78 PolarHBondContact NH2-OD1 2.93Å; N78-N81 PolarHBondContact O-OD1 3.07Å
79	Y	95.5	Very high	97.2	Very high	215 Å²	215	55.8 Å²	55.8	84%	0.843	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-36.5	176.1	-178.6	-99.6	0	0	0	110.7	D77	D77-Y79 VanDerWaalsContact C-N 3.34Å; D77-Y79 WeakPolarHBondContact OD1-CA 3.42Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.3Å; D77-Y79 PolarHBondContact OD1-N 2.86Å
80	K	96.9	Very high	97.4	Very high	124 Å²	124	49 Å²	49	54%	0.539	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.1	178.1	-60.7	-177.6	-168.8	173.7	0	114.3	D77 T82	D77-K80 HydrophobicContact CB-CB 4.17Å; D77-K80 PolarHBondContact OD1-N 3.07Å; D77-K80 WeakPolarHBondContact OD2-CD 3.39Å; D77-K80 VanDerWaalsContact OD2-CE 3.27Å; D77-K80 WeakPolarHBondContact OD2-CE 3.15Å; D77-K80 WeakPolarHBondContact OD2-CG 3.17Å; D77-K80 IonicContact OD2-NZ 3.5Å; K80-T82 PolarHBondContact O-N 3.27Å; K80-T82 VanDerWaalsContact O-N 3.14Å; K80-T82 PolarHBondContact O-OG1 2.89Å
81	N	97	Very high	97.5	Very high	62 Å²	62	47.2 Å²	47.2	33%	0.332	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	41.3	-170.9	-60.3	-40.9	0	0	0	112.6	A28 F33 D77 N78	A28-N81 HydrophobicContact CB-CB 4.46Å; A28-N81 WeakPolarHBondContact CB-O 3.38Å; A28-N81 PolarHBondContact N-O 2.81Å; A28-N81 WeakPolarHBondContact O-CB 3.3Å; F33-N81 HydrophobicContact CB-CB 3.9Å; F33-N81 VanDerWaalsContact CB-OD1 3.3Å; F33-N81 WeakPolarHBondContact CB-OD1 3.49Å; F33-N81 HydrophobicContact CD1-CB 4.45Å; F33-N81 HydrophobicContact CG-CB 4.14Å; D77-N81 PolarHBondContact O-N 3.22Å; N78-N81 PolarHBondContact O-OD1 3.07Å
82	T	98.3	Very high	97.5	Very high	16 Å²	16	48.4 Å²	48.4	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.9	-171.4	-56.1	0	0	0	0	111.3	C26 R76 D77 K80 Y84	C26-T82 WeakPolarHBondContact O-CA 3.26Å; R76-T82 WeakPolarHBondContact CA-O 3.19Å; D77-T82 PolarHBondContact N-O 3.25Å; D77-T82 PolarHBondContact O-N 3.04Å; K80-T82 PolarHBondContact O-N 3.27Å; K80-T82 VanDerWaalsContact O-N 3.14Å; K80-T82 PolarHBondContact O-OG1 2.89Å; T82-Y84 HydrophobicContact CG2-CD1 4.18Å; T82-Y84 HydrophobicContact CG2-CD2 4.46Å; T82-Y84 HydrophobicContact CG2-CE1 3.52Å; T82-Y84 HydrophobicContact CG2-CE2 3.86Å; T82-Y84 WeakPolarHBondContact CG2-OH 3.38Å
83	L	98.6	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	145.7	170.3	-176.1	70.5	0	0	0	110	S25 C26 F33 M38 W40 I55 I74 S75 R76 C100	S25-L83 CarbonylContact C-O 3.54Å; S25-L83 VanDerWaalsContact CA-O 3.24Å; S25-L83 WeakPolarHBondContact CA-O 3.44Å; C26-L83 HydrophobicContact CB-CB 4.21Å; C26-L83 PolarHBondContact N-O 3.04Å; C26-L83 PolarHBondContact O-N 2.83Å; F33-L83 HydrophobicContact CE2-CB 4.45Å; F33-L83 HydrophobicContact CZ-CB 4.16Å; M38-L83 HydrophobicContact CB-CD1 3.77Å; M38-L83 HydrophobicContact CB-CD2 3.84Å; M38-L83 HydrophobicContact CB-CG 4.3Å; W40-L83 HydrophobicContact CG-CD2 4.35Å; I55-L83 HydrophobicContact CG2-CD1 3.49Å; I55-L83 VanDerWaalsContact CG2-CD1 3.49Å; I74-L83 HydrophobicContact CD1-CD1 4.02Å; I74-L83 HydrophobicContact CG1-CD1 3.94Å; S75-L83 WeakPolarHBondContact O-CD1 3.48Å; R76-L83 HydrophobicContact CB-CD1 4.27Å; L83-C100 HydrophobicContact CD2-CB 3.99Å
84	Y	98.8	Very high	97.3	Very high	37 Å²	37	51.6 Å²	51.6	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.2	176.1	-56.1	-79.5	0	0	0	111.8	R23 L24 I74 S75 D77 T82	R23-Y84 VanDerWaalsContact NH2-CD2 3.29Å; L24-Y84 VanDerWaalsContact O-CA 3.27Å; L24-Y84 WeakPolarHBondContact O-CA 3.4Å; I74-Y84 WeakPolarHBondContact CA-O 3.47Å; S75-Y84 PolarHBondContact N-O 3.35Å; S75-Y84 PolarHBondContact O-N 3.07Å; D77-Y84 HydrophobicContact CB-CE2 4.02Å; T82-Y84 HydrophobicContact CG2-CD1 4.18Å; T82-Y84 HydrophobicContact CG2-CD2 4.46Å; T82-Y84 HydrophobicContact CG2-CE1 3.52Å; T82-Y84 HydrophobicContact CG2-CE2 3.86Å; T82-Y84 WeakPolarHBondContact CG2-OH 3.38Å
85	L	98.7	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	112.3	166.9	-170.6	67.6	0	0	0	109	R23 L24 W40 L52 F72 I74 V87 Y98	R23-L85 WeakPolarHBondContact CA-O 3.27Å; L24-L85 HydrophobicContact CB-CB 4.25Å; L24-L85 HydrophobicContact CD1-CD2 4.3Å; L24-L85 PolarHBondContact N-O 2.67Å; L24-L85 PolarHBondContact O-N 3.33Å; W40-L85 HydrophobicContact CB-CD2 4.04Å; W40-L85 HydrophobicContact CD2-CB 4.03Å; W40-L85 HydrophobicContact CD2-CD2 4.11Å; W40-L85 HydrophobicContact CG-CB 4.01Å; W40-L85 HydrophobicContact CG-CD1 4.36Å; W40-L85 HydrophobicContact CG-CD2 3.87Å; W40-L85 HydrophobicContact CG-CG 4.32Å; W40-L85 HydrophobicContact CZ2-CB 4.34Å; L52-L85 HydrophobicContact CD1-CD2 4.4Å; F72-L85 HydrophobicContact CB-CD1 4.27Å; F72-L85 HydrophobicContact CD2-CD1 4.28Å; F72-L85 HydrophobicContact CD2-CD2 3.92Å; F72-L85 HydrophobicContact CD2-CG 4.35Å; F72-L85 HydrophobicContact CE2-CD2 4.28Å; I74-L85 HydrophobicContact CB-CD1 4.23Å; L85-V87 HydrophobicContact CD2-CG2 3.87Å; L85-V87 HydrophobicContact CG-CG2 3.91Å; L85-Y98 HydrophobicContact CD2-CD1 4.24Å; L85-Y98 HydrophobicContact CD2-CE1 4.42Å
86	Q	98.4	Very high	97.3	Very high	53 Å²	53	51.5 Å²	51.5	25%	0.248	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.1	167.3	-178.8	64.3	39.1	0	0	108	L22 F72 N73 N88	L22-Q86 PolarHBondContact O-NE2 3.47Å; F72-Q86 CarbonylContact C-O 3.49Å; F72-Q86 WeakPolarHBondContact CA-O 3.47Å; N73-Q86 HydrophobicContact CB-CB 4.24Å; N73-Q86 PolarHBondContact N-O 2.73Å; N73-Q86 PolarHBondContact O-N 3.39Å; Q86-N88 WeakPolarHBondContact CG-OD1 3.36Å; Q86-N88 PolarHBondContact NE2-OD1 3.44Å; Q86-N88 VanDerWaalsContact NE2-OD1 3.07Å
87	V	97.2	Very high	97.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.9	178.5	-175.8	0	0	0	0	107.6	S21 L22 F72 L85 L90	S21-V87 CarbonylContact C-O 3.56Å; S21-V87 WeakPolarHBondContact CA-O 3.46Å; S21-V87 VanDerWaalsContact CB-O 3.3Å; S21-V87 WeakPolarHBondContact CB-O 3.41Å; L22-V87 HydrophobicContact CD1-CB 4.23Å; L22-V87 HydrophobicContact CD1-CG2 4.15Å; L22-V87 HydrophobicContact CG-CB 4.23Å; L22-V87 PolarHBondContact N-O 3.16Å; L22-V87 PolarHBondContact O-N 2.8Å; F72-V87 HydrophobicContact CD1-CG1 3.95Å; F72-V87 HydrophobicContact CD2-CG2 4.33Å; F72-V87 HydrophobicContact CE1-CG1 3.49Å; F72-V87 VanDerWaalsContact CE1-CG1 3.49Å; F72-V87 HydrophobicContact CE2-CG1 4.29Å; F72-V87 HydrophobicContact CE2-CG2 4.23Å; F72-V87 HydrophobicContact CZ-CG1 3.66Å; F72-V87 HydrophobicContact CZ-CG2 4.41Å; L85-V87 HydrophobicContact CD2-CG2 3.87Å; L85-V87 HydrophobicContact CG-CG2 3.91Å; V87-L90 HydrophobicContact CB-CD2 4.3Å; V87-L90 HydrophobicContact CG1-CD2 3.41Å; V87-L90 VanDerWaalsContact CG1-CD2 3.41Å; V87-L90 HydrophobicContact CG1-CG 3.93Å
88	N	97.4	Very high	97.3	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	25%	0.251	S	S	.	.			trans	-103.7	149.2	-178.7	-56.8	-49.5	0	0	0	111.8	S21 R71 Q86 L90	S21-N88 WeakPolarHBondContact OG-CA 3.24Å; S21-N88 PolarHBondContact OG-OD1 3Å; R71-N88 VanDerWaalsContact O-CB 3.31Å; R71-N88 WeakPolarHBondContact O-CB 3.44Å; R71-N88 PolarHBondContact O-N 3Å; R71-N88 PolarHBondContact O-ND2 3.41Å; Q86-N88 WeakPolarHBondContact CG-OD1 3.36Å; Q86-N88 PolarHBondContact NE2-OD1 3.44Å; Q86-N88 VanDerWaalsContact NE2-OD1 3.07Å; N88-L90 PolarHBondContact O-N 2.8Å
89	S	95.9	Very high	97.4	Very high	68 Å²	68	48.7 Å²	48.7	48%	0.476	24%	0.243	S	C	.	.	S	Bend	trans	51.1	59	175.8	-53.1	0	0	0	0	111.4	R20 R71 T91	R20-S89 PolarHBondContact O-N 3.38Å; R71-S89 PolarHBondContact NH1-O 2.95Å; R71-S89 VanDerWaalsContact NH1-O 3.14Å; S89-T91 PolarHBondContact O-N 2.79Å
90	L	96.3	Very high	97.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.203	C	C	.	.			trans	-56.9	133.2	-179	-77.6	152.8	0	0	0	111.1	V16 P18 G19 R20 L22 V87 N88 D94 V122 V124	V16-L90 HydrophobicContact CB-CD1 4.01Å; V16-L90 HydrophobicContact CG1-CD1 3.57Å; P18-L90 CarbonylContact C-O 3.47Å; P18-L90 WeakPolarHBondContact CA-O 3.47Å; G19-L90 PolarHBondContact N-O 2.87Å; R20-L90 WeakPolarHBondContact O-CB 3.27Å; R20-L90 WeakPolarHBondContact O-CD1 3.39Å; R20-L90 PolarHBondContact O-N 2.9Å; L22-L90 HydrophobicContact CB-CD1 4.22Å; L22-L90 HydrophobicContact CD2-CD1 3.61Å; L22-L90 HydrophobicContact CD2-CD2 4.1Å; L22-L90 HydrophobicContact CD2-CG 4.5Å; L22-L90 HydrophobicContact CG-CD1 3.85Å; L22-L90 HydrophobicContact CG-CD2 4.49Å; V87-L90 HydrophobicContact CB-CD2 4.3Å; V87-L90 HydrophobicContact CG1-CD2 3.41Å; V87-L90 VanDerWaalsContact CG1-CD2 3.41Å; V87-L90 HydrophobicContact CG1-CG 3.93Å; N88-L90 PolarHBondContact O-N 2.8Å; L90-D94 HydrophobicContact CD2-CB 3.9Å; L90-V122 HydrophobicContact CD2-CG1 4.23Å; L90-V124 HydrophobicContact CB-CG1 4.24Å; L90-V124 HydrophobicContact CB-CG2 3.95Å; L90-V124 HydrophobicContact CD2-CG2 3.85Å; L90-V124 HydrophobicContact CG-CG2 4.38Å
91	T	96.4	Very high	97.4	Very high	43 Å²	43	32.6 Å²	32.6	26%	0.264	18%	0.177	S	C	.	.			trans	-110.2	161.6	170.7	68.9	0	0	0	0	110.2	S89 E93 D94 V124	S89-T91 PolarHBondContact O-N 2.79Å; T91-E93 PolarHBondContact O-N 2.97Å; T91-E93 VanDerWaalsContact O-N 3.08Å; T91-E93 PolarHBondContact OG1-OE2 3Å; T91-D94 PolarHBondContact N-OD2 3.01Å; T91-D94 WeakPolarHBondContact O-CB 3.37Å; T91-D94 PolarHBondContact O-N 2.86Å; T91-D94 PolarHBondContact OG1-OD2 3.14Å; T91-V124 WeakPolarHBondContact O-CB 3.37Å; T91-V124 WeakPolarHBondContact O-CG2 3.15Å
92	P	96.5	Very high	97.2	Very high	85 Å²	85	31.4 Å²	31.4	55%	0.552	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-51.7	-31.6	174.6	-30	37.8	0	0	0	114	D94 T95	P92-D94 PolarHBondContact O-N 3.01Å; P92-T95 VanDerWaalsContact O-CB 3.26Å; P92-T95 WeakPolarHBondContact O-CB 3.47Å; P92-T95 PolarHBondContact O-N 3.03Å; P92-T95 VanDerWaalsContact O-N 3.13Å; P92-T95 PolarHBondContact O-OG1 3.21Å
93	E	95.1	Very high	96.5	Very high	150 Å²	150	31 Å²	31	70%	0.701	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-67.8	-16.6	177.8	-60.4	153	172.6	0	0	113.6	T91	T91-E93 PolarHBondContact O-N 2.97Å; T91-E93 VanDerWaalsContact O-N 3.08Å; T91-E93 PolarHBondContact OG1-OE2 3Å
94	D	97	Very high	95.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-82.2	-2.5	174.4	-62.4	-44.1	0	0	0	112.8	R42 R71 L90 T91 P92 A96 Y98 V124	R42-D94 IonicContact CZ-OD1 3.84Å; R42-D94 IonicContact NH1-OD1 2.81Å; R42-D94 PolarHBondContact NH1-OD1 3.28Å; R71-D94 IonicContact CZ-OD1 2.98Å; R71-D94 IonicContact CZ-OD2 3.37Å; R71-D94 IonicContact NH1-OD1 3.87Å; R71-D94 IonicContact NH1-OD2 3.85Å; R71-D94 PolarHBondContact NH1-OD2 2.93Å; R71-D94 IonicContact NH2-OD1 3.76Å; R71-D94 PolarHBondContact NH2-OD1 3.05Å; R71-D94 IonicContact NH2-OD2 2.7Å; R71-D94 PolarHBondContact NH2-OD2 2.87Å; L90-D94 HydrophobicContact CD2-CB 3.9Å; T91-D94 PolarHBondContact N-OD2 3.01Å; T91-D94 WeakPolarHBondContact O-CB 3.37Å; T91-D94 PolarHBondContact O-N 2.86Å; T91-D94 PolarHBondContact OG1-OD2 3.14Å; P92-D94 PolarHBondContact O-N 3.01Å; D94-A96 PolarHBondContact O-N 3.15Å; D94-A96 VanDerWaalsContact O-N 3.16Å; D94-Y98 VanDerWaalsContact O-CE2 3.3Å; D94-Y98 WeakPolarHBondContact O-CE2 3.49Å; D94-Y98 PolarHBondContact O-OH 3.3Å; D94-V124 HydrophobicContact CB-CG2 4.44Å
95	T	98.3	Very high	93.5	Very high	32 Å²	32	38.7 Å²	38.7	20%	0.196	20%	0.203	C	C	.	.			trans	-64.2	111.9	172.6	-62.6	0	0	0	0	110.6	P92 V122 V124	P92-T95 VanDerWaalsContact O-CB 3.26Å; P92-T95 WeakPolarHBondContact O-CB 3.47Å; P92-T95 PolarHBondContact O-N 3.03Å; P92-T95 VanDerWaalsContact O-N 3.13Å; P92-T95 PolarHBondContact O-OG1 3.21Å; T95-V122 WeakPolarHBondContact CA-O 3.48Å; T95-V124 PolarHBondContact OG1-N 2.9Å
96	A	98.3	Very high	91.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	165.5	-176.3	0	0	0	0	0	111	R42 Q43 A44 D94 Y98 V122	R42-A96 HydrophobicContact CB-CB 3.82Å; R42-A96 HydrophobicContact CG-CB 4.14Å; Q43-A96 WeakPolarHBondContact O-CA 3.38Å; Q43-A96 WeakPolarHBondContact O-CB 3.45Å; A44-A96 HydrophobicContact CB-CB 4.26Å; D94-A96 PolarHBondContact O-N 3.15Å; D94-A96 VanDerWaalsContact O-N 3.16Å; A96-Y98 HydrophobicContact CB-CD2 4.26Å; A96-Y98 HydrophobicContact CB-CE2 3.77Å; A96-Y98 VanDerWaalsContact O-CD2 3.29Å; A96-Y98 WeakPolarHBondContact O-CD2 3.39Å; A96-V122 PolarHBondContact N-O 3.01Å; A96-V122 VanDerWaalsContact N-O 3.09Å; A96-V122 PolarHBondContact O-N 3.2Å
97	V	98.7	Very high	89.1	Confident	39 Å²	39	43.1 Å²	43.1	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128	160.3	-172.5	0	0	0	0	108.2	R42 Q43 Y99 L121	R42-V97 CarbonylContact C-O 3.57Å; R42-V97 WeakPolarHBondContact CA-O 3.34Å; Q43-V97 PolarHBondContact N-O 2.84Å; Q43-V97 PolarHBondContact O-N 3.13Å; V97-Y99 HydrophobicContact CB-CE2 3.81Å; V97-Y99 HydrophobicContact CG1-CD1 4.4Å; V97-Y99 HydrophobicContact CG1-CD2 4.37Å; V97-Y99 HydrophobicContact CG1-CE1 3.7Å; V97-Y99 HydrophobicContact CG1-CE2 3.68Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.17Å; V97-Y99 WeakPolarHBondContact O-CE2 3.37Å; V97-L121 HydrophobicContact CG2-CD1 4.06Å
98	Y	98.6	Very high	86.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.6	-179.7	-73	-104.4	0	0	0	109.9	L24 V41 R42 L52 F72 L85 D94 A96 G119 T120 V122	L24-Y98 VanDerWaalsContact CD1-CB 3.48Å; L24-Y98 HydrophobicContact CD1-CD1 3.59Å; L24-Y98 HydrophobicContact CD1-CD2 4.22Å; L24-Y98 HydrophobicContact CD1-CE1 4.39Å; L24-Y98 HydrophobicContact CD1-CG 3.49Å; L24-Y98 VanDerWaalsContact CD1-CG 3.49Å; V41-Y98 WeakPolarHBondContact O-CA 3.43Å; R42-Y98 HydrophobicContact CB-CD1 3.98Å; R42-Y98 HydrophobicContact CB-CD2 4.49Å; R42-Y98 HydrophobicContact CB-CE1 3.98Å; R42-Y98 HydrophobicContact CB-CE2 4.46Å; R42-Y98 HydrophobicContact CB-CG 4.23Å; R42-Y98 PolarHBondContact NH1-OH 3.07Å; L52-Y98 HydrophobicContact CD1-CD1 3.72Å; L52-Y98 HydrophobicContact CD1-CE1 3.55Å; F72-Y98 HydrophobicContact CE2-CE1 4.09Å; L85-Y98 HydrophobicContact CD2-CD1 4.24Å; L85-Y98 HydrophobicContact CD2-CE1 4.42Å; D94-Y98 VanDerWaalsContact O-CE2 3.3Å; D94-Y98 WeakPolarHBondContact O-CE2 3.49Å; D94-Y98 PolarHBondContact O-OH 3.3Å; A96-Y98 HydrophobicContact CB-CD2 4.26Å; A96-Y98 HydrophobicContact CB-CE2 3.77Å; A96-Y98 VanDerWaalsContact O-CD2 3.29Å; A96-Y98 WeakPolarHBondContact O-CD2 3.39Å; Y98-G119 CarbonylContact O-C 3.55Å; Y98-G119 WeakPolarHBondContact O-CA 3.32Å; Y98-T120 PolarHBondContact N-O 3.14Å; Y98-T120 PolarHBondContact O-N 2.99Å; Y98-V122 HydrophobicContact CD2-CB 3.91Å; Y98-V122 HydrophobicContact CD2-CG2 3.71Å; Y98-V122 HydrophobicContact CE2-CB 3.69Å; Y98-V122 HydrophobicContact CE2-CG1 4.37Å; Y98-V122 HydrophobicContact CE2-CG2 3.88Å
99	Y	98.2	Very high	84.5	Confident	43 Å²	43	52.8 Å²	52.8	17%	0.169	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.7	-178.2	-50.9	-92.9	0	0	0	109.5	V41 Q43 L49 V97 W116	V41-Y99 PolarHBondContact N-O 2.86Å; V41-Y99 PolarHBondContact O-N 3.09Å; Q43-Y99 HydrophobicContact CB-CE2 3.91Å; Q43-Y99 PolarHBondContact OE1-OH 3.3Å; L49-Y99 HydrophobicContact CD2-CD2 4.38Å; L49-Y99 HydrophobicContact CD2-CE2 4.31Å; V97-Y99 HydrophobicContact CB-CE2 3.81Å; V97-Y99 HydrophobicContact CG1-CD1 4.4Å; V97-Y99 HydrophobicContact CG1-CD2 4.37Å; V97-Y99 HydrophobicContact CG1-CE1 3.7Å; V97-Y99 HydrophobicContact CG1-CE2 3.68Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.17Å; V97-Y99 WeakPolarHBondContact O-CE2 3.37Å; Y99-W116 HydrophobicContact CG-CE3 4.37Å
100	C	97.1	Very high	82.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	151.7	160	71.9	0	0	0	0	110.9	D10 C26 H39 W40 L83 G117	D10-C100 WeakPolarHBondContact OD1-CB 3.43Å; D10-C100 PolarHBondContact OD1-N 2.84Å; D10-C100 PolarHBondContact OD1-SG 2.99Å; C26-C100 HydrophobicContact CB-CB 3.31Å; C26-C100 WeakPolarHBondContact CB-SG 3.48Å; C26-C100 WeakPolarHBondContact SG-CB 3.45Å; C26-C100 CovalentContact SG-SG 2.02Å; C26-C100 PolarHBondContact SG-SG 3.06Å; H39-C100 CarbonylContact O-C 3.5Å; H39-C100 VanDerWaalsContact O-CA 3.26Å; H39-C100 WeakPolarHBondContact O-CA 3.3Å; W40-C100 HydrophobicContact CD2-CB 4.45Å; W40-C100 HydrophobicContact CE3-CB 4.44Å; W40-C100 HydrophobicContact CH2-CB 4.29Å; W40-C100 HydrophobicContact CZ2-CB 4.31Å; W40-C100 HydrophobicContact CZ3-CB 4.35Å; L83-C100 HydrophobicContact CD2-CB 3.99Å; C100-G117 PolarHBondContact O-N 3.14Å
101	A	95.2	Very high	80.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.1	175.9	0	0	0	0	0	111.9	H39 V113 Y115 W116	H39-A101 HydrophobicContact CB-CB 4.47Å; H39-A101 PolarHBondContact N-O 3.05Å; H39-A101 PolarHBondContact O-N 3.39Å; A101-V113 HydrophobicContact CB-CB 4.06Å; A101-V113 HydrophobicContact CB-CG1 3.48Å; A101-V113 VanDerWaalsContact CB-CG1 3.48Å; A101-Y115 WeakPolarHBondContact CA-O 3.42Å; A101-W116 HydrophobicContact CB-CD2 3.8Å; A101-W116 HydrophobicContact CB-CE3 3.87Å; A101-W116 HydrophobicContact CB-CG 4.28Å; A101-W116 HydrophobicContact CB-CZ2 4.48Å; A101-W116 HydrophobicContact CB-CZ3 4.24Å
102	R	92.1	Very high	78.4	Confident	38 Å²	38	70.9 Å²	70.9	14%	0.143	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128	176.3	-171.6	-164.5	78.2	166.7	5.8	110.5	L8 F31 Y36 M38 V113 G114 Y115	L8-R102 HydrophobicContact CD1-CB 4.48Å; F31-R102 HydrophobicContact CE2-CG 4.01Å; F31-R102 HydrophobicContact CZ-CG 4.23Å; Y36-R102 HydrophobicContact CD1-CG 3.98Å; Y36-R102 HydrophobicContact CD2-CG 4.43Å; Y36-R102 HydrophobicContact CG-CG 3.78Å; M38-R102 HydrophobicContact CE-CB 4.43Å; M38-R102 HydrophobicContact SD-CB 4.15Å; M38-R102 HydrophobicContact SD-CG 4.09Å; R102-V113 WeakPolarHBondContact O-CA 3.47Å; R102-G114 PolarHBondContact O-N 2.73Å; R102-Y115 VanDerWaalsContact CZ-CE2 3.47Å; R102-Y115 PolarHBondContact N-O 3.42Å
103	G	83.3	Confident	76.6	Confident	6 Å²	6	69 Å²	69	6%	0.062	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	175.4	177.4	0	0	0	0	0	113.8	G37	G37-G103 CarbonylContact C-O 3.53Å; G37-G103 WeakPolarHBondContact CA-O 3.45Å; G37-G103 PolarHBondContact N-O 3.2Å; G37-G103 PolarHBondContact O-N 3.2Å
104	Y	71.8	Confident	75.6	Confident	135 Å²	135	64 Å²	64	53%	0.529	35%	0.353	S	S	.	.			trans	-88.2	154.6	171.5	-69.4	-78.3	0	0	0	110.5	Y36 S106	Y36-Y104 HydrophobicContact CD1-CE1 4.36Å; Y36-Y104 HydrophobicContact CE1-CE1 4.07Å; Y104-S106 PolarHBondContact O-N 2.88Å
105	T	62.7	Low	75.2	Confident	64 Å²	64	68.7 Å²	68.7	39%	0.393	37%	0.371	S	S	.	.	S	Bend	trans	-75.2	-2.6	-178	47	0	0	0	0	114.4	Y57 G107	Y57-T105 HydrophobicContact CD1-CG2 4.27Å; T105-G107 PolarHBondContact O-N 3.22Å
106	S	56	Low	75	Confident	66 Å²	66	71.3 Å²	71.3	46%	0.462	38%	0.377	S	S	.	.	S	Bend	trans	-71.8	113.2	-179.9	48.2	0	0	0	0	110.5	Y104 L108	Y104-S106 PolarHBondContact O-N 2.88Å; S106-L108 PolarHBondContact O-N 2.71Å
107	G	49.5	Very low	74.9	Confident	80 Å²	80	71.6 Å²	71.6	83%	0.825	38%	0.38	S	S	*	.			trans	-65.2	55.8	-172.4	0	0	0	0	0	116.6	T105	T105-G107 PolarHBondContact O-N 3.22Å
108	L	49.2	Very low	74.7	Confident	116 Å²	116	77.9 Å²	77.9	61%	0.607	41%	0.407	S	S	*	.			trans	-123	139.8	171.3	-66.9	175.9	0	0	0	110.4	S106 R110	S106-L108 PolarHBondContact O-N 2.71Å; L108-R110 PolarHBondContact O-N 3.03Å
109	P	48	Very low	74.7	Confident	139 Å²	139	78.9 Å²	78.9	90%	0.903	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	17.8	-174.8	31	-35.4	0	0	0	114.1
110	R	51.8	Low	74.7	Confident	231 Å²	231	77.8 Å²	77.8	87%	0.872	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.2	22.9	-160.5	-147.3	176.1	173.8	178.6	-2.5	116.1	L108	L108-R110 PolarHBondContact O-N 3.03Å
111	W	55.4	Low	74.7	Confident	166 Å²	166	82.4 Å²	82.4	63%	0.629	44%	0.439	S	S	*	.	S	Bend	trans	-109.9	145.4	173.4	-75.1	82.1	0	0	0	111.7	V113	W111-V113 PolarHBondContact O-N 2.78Å
112	P	54.3	Low	74.9	Confident	97 Å²	97	82.4 Å²	82.4	63%	0.63	44%	0.439	S	S	*	.			trans	-71.5	110.6	-162.7	28.9	-32.2	0	0	0	109.3	G114	P112-G114 PolarHBondContact O-N 3.24Å
113	V	58.7	Low	75.2	Confident	45 Å²	45	82.5 Å²	82.5	27%	0.273	44%	0.444	S	S	.	.			trans	-60.2	94.6	159.7	-106.1	0	0	0	0	106.1	A101 R102 W111 W116	A101-V113 HydrophobicContact CB-CB 4.06Å; A101-V113 HydrophobicContact CB-CG1 3.48Å; A101-V113 VanDerWaalsContact CB-CG1 3.48Å; R102-V113 WeakPolarHBondContact O-CA 3.47Å; W111-V113 PolarHBondContact O-N 2.78Å; V113-W116 HydrophobicContact CB-CZ2 3.88Å; V113-W116 HydrophobicContact CG2-CH2 4.34Å; V113-W116 HydrophobicContact CG2-CZ2 3.34Å; V113-W116 PolarHBondContact O-NE1 2.91Å; V113-W116 VanDerWaalsContact O-NE1 3.07Å
114	G	74.1	Confident	75.9	Confident	45 Å²	45	82.7 Å²	82.7	46%	0.464	44%	0.444	S	S	.	.			trans	-75.1	-29.9	-164.6	0	0	0	0	0	112.8	R102 P112	R102-G114 PolarHBondContact O-N 2.73Å; P112-G114 PolarHBondContact O-N 3.24Å
115	Y	88.9	Confident	77	Confident	100 Å²	100	78.8 Å²	78.8	39%	0.392	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.8	178.5	-61.5	-80.2	0	0	0	110	V6 L8 A101 R102	V6-Y115 HydrophobicContact CB-CD1 3.68Å; V6-Y115 HydrophobicContact CB-CD2 4.22Å; V6-Y115 HydrophobicContact CB-CE1 3.6Å; V6-Y115 HydrophobicContact CB-CE2 4.14Å; V6-Y115 HydrophobicContact CB-CG 4Å; V6-Y115 HydrophobicContact CG1-CD1 3.53Å; V6-Y115 HydrophobicContact CG1-CD2 3.64Å; V6-Y115 HydrophobicContact CG1-CE1 3.96Å; V6-Y115 HydrophobicContact CG1-CE2 4.05Å; V6-Y115 HydrophobicContact CG1-CG 3.35Å; V6-Y115 HydrophobicContact CG2-CD1 4.46Å; V6-Y115 HydrophobicContact CG2-CD2 4.35Å; V6-Y115 HydrophobicContact CG2-CE1 4.03Å; V6-Y115 HydrophobicContact CG2-CE2 3.9Å; L8-Y115 WeakPolarHBondContact CD1-O 3.31Å; A101-Y115 WeakPolarHBondContact CA-O 3.42Å; R102-Y115 VanDerWaalsContact CZ-CE2 3.47Å; R102-Y115 PolarHBondContact N-O 3.42Å
116	W	93.8	Very high	78.1	Confident	87 Å²	87	83 Å²	83	33%	0.33	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.1	-178.6	-69.9	77.2	0	0	0	109.6	V41 L49 Y99 A101 V113	V41-W116 HydrophobicContact CB-CH2 4.06Å; V41-W116 HydrophobicContact CB-CZ3 3.7Å; V41-W116 HydrophobicContact CG1-CH2 3.93Å; V41-W116 HydrophobicContact CG1-CZ3 3.86Å; V41-W116 HydrophobicContact CG2-CH2 3.81Å; V41-W116 HydrophobicContact CG2-CZ3 3.8Å; L49-W116 HydrophobicContact CD1-CH2 4Å; L49-W116 HydrophobicContact CD1-CZ2 4.45Å; L49-W116 HydrophobicContact CD2-CH2 4.48Å; L49-W116 HydrophobicContact CD2-CZ3 4.35Å; Y99-W116 HydrophobicContact CG-CE3 4.37Å; A101-W116 HydrophobicContact CB-CD2 3.8Å; A101-W116 HydrophobicContact CB-CE3 3.87Å; A101-W116 HydrophobicContact CB-CG 4.28Å; A101-W116 HydrophobicContact CB-CZ2 4.48Å; A101-W116 HydrophobicContact CB-CZ3 4.24Å; V113-W116 HydrophobicContact CB-CZ2 3.88Å; V113-W116 HydrophobicContact CG2-CH2 4.34Å; V113-W116 HydrophobicContact CG2-CZ2 3.34Å; V113-W116 PolarHBondContact O-NE1 2.91Å; V113-W116 VanDerWaalsContact O-NE1 3.07Å
117	G	95.8	Very high	79.2	Confident	6 Å²	6	83.9 Å²	83.9	6%	0.062	47%	0.469	C	S	.	.			trans	-73.7	167.5	164.3	0	0	0	0	0	111.7	L8 D10 C100 G119	L8-G117 WeakPolarHBondContact O-CA 3.34Å; D10-G117 WeakPolarHBondContact OD2-CA 3.49Å; C100-G117 PolarHBondContact O-N 3.14Å; G117-G119 PolarHBondContact O-N 3.4Å
118	Q	94.8	Very high	80.7	Confident	172 Å²	172	84.1 Å²	84.1	80%	0.804	45%	0.45	S	S	*	.			trans	-73.1	-13.3	-179.2	-64.1	-61.9	-48.2	0	0	113.1	D10	D10-Q118 PolarHBondContact OD2-N 3.11Å
119	G	97.6	Very high	82.5	Confident	21 Å²	21	82.3 Å²	82.3	22%	0.216	44%	0.441	C	S	.	.			trans	89.3	149.4	-176.9	0	0	0	0	0	113	D10 Y98 G117	D10-G119 WeakPolarHBondContact OD2-CA 3.27Å; D10-G119 PolarHBondContact OD2-N 3.47Å; Y98-G119 CarbonylContact O-C 3.55Å; Y98-G119 WeakPolarHBondContact O-CA 3.32Å; G117-G119 PolarHBondContact O-N 3.4Å
120	T	98.4	Very high	84.5	Confident	20 Å²	20	78.9 Å²	78.9	12%	0.123	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.3	172.3	-175.4	0	0	0	0	109.5	D10 G13 L24 Y98	D10-T120 HydrophobicContact CB-CG2 3.99Å; G13-T120 VanDerWaalsContact CA-OG1 3.23Å; G13-T120 WeakPolarHBondContact CA-OG1 3.48Å; G13-T120 PolarHBondContact N-OG1 2.61Å; G13-T120 VanDerWaalsContact N-OG1 3.09Å; L24-T120 HydrophobicContact CD1-CG2 4.39Å; L24-T120 HydrophobicContact CD2-CG2 3.85Å; Y98-T120 PolarHBondContact N-O 3.14Å; Y98-T120 PolarHBondContact O-N 2.99Å
121	L	98.5	Very high	86.6	Confident	96 Å²	96	69.4 Å²	69.4	50%	0.503	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.6	-178.9	179.4	63.4	0	0	0	110.3	G13 G14 V97	G13-L121 CarbonylContact C-O 3.6Å; G13-L121 WeakPolarHBondContact CA-O 3.39Å; G14-L121 PolarHBondContact N-O 2.99Å; V97-L121 HydrophobicContact CG2-CD1 4.06Å
122	V	98.5	Very high	88.6	Confident	1 Å²	1	63 Å²	63	1%	0.006	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.4	164.9	171.3	0	0	0	0	107.6	L22 L24 L90 T95 A96 Y98 V124	L22-V122 HydrophobicContact CD1-CG2 4.33Å; L22-V122 HydrophobicContact CD2-CB 4.29Å; L22-V122 HydrophobicContact CD2-CG1 3.5Å; L22-V122 VanDerWaalsContact CD2-CG1 3.5Å; L22-V122 HydrophobicContact CD2-CG2 3.78Å; L24-V122 HydrophobicContact CD1-CG2 4.48Å; L24-V122 HydrophobicContact CD2-CG2 3.87Å; L90-V122 HydrophobicContact CD2-CG1 4.23Å; T95-V122 WeakPolarHBondContact CA-O 3.48Å; A96-V122 PolarHBondContact N-O 3.01Å; A96-V122 VanDerWaalsContact N-O 3.09Å; A96-V122 PolarHBondContact O-N 3.2Å; Y98-V122 HydrophobicContact CD2-CB 3.91Å; Y98-V122 HydrophobicContact CD2-CG2 3.71Å; Y98-V122 HydrophobicContact CE2-CB 3.69Å; Y98-V122 HydrophobicContact CE2-CG1 4.37Å; Y98-V122 HydrophobicContact CE2-CG2 3.88Å; V122-V124 HydrophobicContact CG1-CG2 4.18Å
123	T	98.3	Very high	91.1	Very high	40 Å²	40	60.6 Å²	60.6	25%	0.245	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.9	174.9	-57.4	0	0	0	0	108.9	G14 V15 V16	G14-T123 PolarHBondContact O-N 2.95Å; V15-T123 CarbonylContact C-O 3.58Å; V15-T123 WeakPolarHBondContact CA-O 3.29Å; V16-T123 PolarHBondContact N-O 3.16Å
124	V	97.3	Very high	93.6	Very high	10 Å²	10	61.8 Å²	61.8	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	104.7	176.5	-174.1	0	0	0	0	108.9	V16 P18 L90 T91 D94 T95 V122	V16-V124 VanDerWaalsContact O-CA 3.27Å; V16-V124 WeakPolarHBondContact O-CA 3.37Å; P18-V124 HydrophobicContact CB-CG1 4.29Å; P18-V124 HydrophobicContact CG-CG1 3.96Å; L90-V124 HydrophobicContact CB-CG1 4.24Å; L90-V124 HydrophobicContact CB-CG2 3.95Å; L90-V124 HydrophobicContact CD2-CG2 3.85Å; L90-V124 HydrophobicContact CG-CG2 4.38Å; T91-V124 WeakPolarHBondContact O-CB 3.37Å; T91-V124 WeakPolarHBondContact O-CG2 3.15Å; D94-V124 HydrophobicContact CB-CG2 4.44Å; T95-V124 PolarHBondContact OG1-N 2.9Å; V122-V124 HydrophobicContact CG1-CG2 4.18Å
125	S	94.8	Very high	95.2	Very high	52 Å²	52	63.2 Å²	63.2	36%	0.364	35%	0.348	S	S	.	.			trans	-143.4	147.7	-176.7	60.4	0	0	0	0	111.2	V15 V16 Q17	V15-S125 VanDerWaalsContact CG1-OG 3.28Å; V15-S125 WeakPolarHBondContact CG1-OG 3.5Å; V16-S125 PolarHBondContact O-N 3.38Å; V16-S125 VanDerWaalsContact O-N 3.16Å; Q17-S125 WeakPolarHBondContact CA-O 3.43Å
126	S	86	Confident	95.8	Very high	153 Å²	153	59.8 Å²	59.8	100%	1.07	34%	0.344	S	S	*	.			trans	-75.3	0	174.4	57.9	0	0	0	0	112.3

Retrieved 126 of 126 residues in 126.3 ms (Link to these results)

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